"CODE"	"CASRN"	"Name"	"DSSTox_GSID"	"NVS_NR_bER"	"NVS_NR_hER"	"NVS_NR_mERa"	"OT_ER_ERaERa_0480"	"OT_ER_ERaERa_1440"	"OT_ER_ERaERb_0480"	"OT_ER_ERaERb_1440"	"OT_ER_ERbERb_0480"	"OT_ER_ERbERb_1440"	"OT_ERa_EREGFP_0120"	"OT_ERa_EREGFP_0480"	"ATG_ERa_TRANS_up"	"ATG_ERE_CIS_up"	"Tox21_ERa_BLA_Agonist_ratio"	"Tox21_ERa_LUC_BG1_Agonist"	"ACEA_T47D_80hr_Positive"	"Tox21_ERa_BLA_Antagonist_ratio"	"Tox21_ERa_LUC_BG1_Antagonist"
"C100005"	"100-00-5"	"1-Chloro-4-nitrobenzene"	"DSSTox_20281"	0	0	0	0.521739130434782	0.480526049570056	2.7710843373494	-0.223677903818502	1.02389078498293	0.81799591002045	1.5748031496063	0.147710487444609	0.30617816062342	0.0461760460588356	3.39131844957967	3.38019766574699	9.97960514558807	10.9281266034353	6.55253864825154
"C100016"	"100-01-6"	"4-Nitroaniline"	"DSSTox_20961"	4.45500147112645	4.91942712789796	18.5540526370976	7.66444133933654	1.6262422017997	-0.345781466113414	1.54999148356327	0.765672356037646	0.557873517415968	0.745156482861401	0	0.286382812237498	0.101146723456897	0.386964073360311	4.58411865576611	4.02584034107629	36.1223085301707	0.927829670041145
"C100027"	"100-02-7"	"4-Nitrophenol"	"DSSTox_21834"	0	0	0	-0.0623941527765399	0.720569382432253	3.11968235961429	0.549249359209081	-0.429321036730798	2.33869124704807	1.24902419984387	0.410958904109589	0.517326033222397	0.0939133581826275	2.95488974466928	24.2384031171846	10.3599034580638	0.83897360565698	3.16024606276994
"C10016203"	"10016-20-3"	"alpha-Cyclodextrin"	"DSSTox_30698"	82.3811309867282	90.8957204993471	74.9590946277611	2.72221608280841	0.800461634066227	3.55699272433306	2.00088144557073	1.27826941986234	2.28077856943836	0.614439324116744	0.275482093663912	0.618271365194812	0.0705532798253032	2.77720756300203	2.91323552123174	12.0045491235628	16.4536439166317	8.05992686526673
"C100210"	"100-21-0"	"Terephthalic acid"	"DSSTox_26080"	0	0	0	4.51274860706247	6.80250603517646	5.28859823713392	31.3432835820896	2.96203110704483	16.3241361038568	0.145137880986938	0.136054421768707	0.0685025175025974	0.115454424768823	2.17952092023482	6.49807173416338	8.99208879867269	6.81744066500573	7.36640433405908
"C10025748"	"10025-74-8"	"Dysprosium(III) chloride"	"DSSTox_41909"	0	0	0	3.94269407722323	1.97817542407944	2.55782645942969	5.42595915577202	12.0243851166702	4.76190476190476	12.8536782538399	49.7884344146686	0.0535475451359288	0.0174669371515649	1.56034491747793	1.73765457388836	17.6203330861028	9.07738338632632	9.76455529789132
"C100378"	"100-37-8"	"N,N-Diethylethanolamine"	"DSSTox_21837"	0	0	0	0.775479378879699	0.379182156133829	7.61639133233212	0.75276012044162	1.11943064719401	0.619979042961928	0.612557427258806	0.275103163686382	0.45200323496843	0.10451670786799	0.840450137701955	5.64903327639804	10.8348397747925	12.8636634379837	8.17407246589106
"C10042598"	"10042-59-8"	"2-Propyl-1-heptanol"	"DSSTox_29302"	0	0	0	0.525384044315002	1.04729687558513	0.443808160343592	0.362071679697749	3.7037037037037	0.690811803697639	1.81818181818182	0.411805078929307	0.623061430184591	0.174135550539641	1.26033102922079	3.31215107487251	24.7838926214093	6.801573309633	1.73770513611928
"C10043353"	"10043-35-3"	"Boric acid"	"DSSTox_20194"	0	0	12.0170392880399	2.90745774731119	0.632551895073841	5.80466830466831	0.393339451947031	3.08807038730268	2.3680649526387	0.635930047694754	0.464396284829721	0.396264364626653	0.358619124028201	2.40073193890896	3.14832506394622	15.4273258464943	2.28409828145193	8.43174776964723
"C100516"	"100-51-6"	"Benzyl alcohol"	"DSSTox_20152"	0	0	0	2.25449815738131	0.801252532694787	5.73457127252868	2.23914017017465	1.69611307420495	0.975748389541493	0.95389507154213	0.29585798816568	0.0861352879142815	0.0489592582252657	1.94509609123754	7.49296110828466	23.9727239702379	3.50866817238216	1.9638317231931
"C100549"	"100-54-9"	"3-Pyridinecarbonitrile"	"DSSTox_26665"	0	0	0	4.59320288362513	0.0414475320297318	6.67414469994392	-0.276198212835094	0.644122383252819	0.485974933924462	0.410172272354389	0.408997955010225	0.463128058839032	0.0488070499366366	1.61239534572661	2.92603723113449	19.8543039381347	8.41069888967246	12.0964782367521
"C100641"	"100-64-1"	"Cyclohexanone oxime"	"DSSTox_21842"	0	0	0	0.53873199500964	0.38935656135059	2.51284187144246	0.940039301078124	2.72364404789856	1.73342133601973	0.168350168350168	0.272479564032698	0.103119634663597	0.11379302520076	1.51723848801688	5.1905659781723	8.69202857370373	3.64000848503699	6.98917057506847
"C1007289"	"1007-28-9"	"Deisopropylatrazine"	"DSSTox_37495"	66.1990381178429	3.92519967538063	0	1.59767039194081	0.864054514480409	2.28915662650602	1.21083699107008	2.32996887086124	0.376684400605802	0.139762403913347	0.138792505204719	0.39334949275121	0.547868398633258	1.51205359776826	4.30564653856675	25.7337187085991	6.58424501596334	8.00562902794467
"C10081671"	"10081-67-1"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"DSSTox_27721"	1.8831605798674	14.2478459369873	28.8066723695466	0.316192378099518	0.0840851760107269	2.8705330990041	1.2191664303941	2.1563088512241	7.90286630430532	21.4953271028037	0.268456375838926	0.611107374178858	0.102526427455201	7.01304129304373	3.06954375371281	13.0750616257734	48.4251309281654	23.9185130206321
"C1008726"	"1008-72-6"	"Sodium 2-formylbenzenesulfonate"	"DSSTox_41643"	0	0	0	1.19547362657419	0.667369160519846	3.11855357359543	1.50809220205984	0.0315258511979812	0.826990873447333	-0.657894736842105	0	0.279519271794293	0.41503749927884	1.32022330571328	1.39268985147336	32.5669172623955	2.13057701881806	2.51281146571605
"C10094345"	"10094-34-5"	"1,1-Dimethyl-2-phenylethyl butanoate"	"DSSTox_38830"	0	0	0	3.66008977972649	1.7141402426951	11.0735989196489	1.90336749633968	2.59590792838875	1.1536258761284	0.431654676258993	0.291757840991977	1.18200723705238	0.592017258255106	0.808162726175209	2.94183335948973	17.3989912657135	3.96291600513005	7.89253437708628
"C100970"	"100-97-0"	"Methenamine"	"DSSTox_20692"	0	0	0	1.84867356445839	0.187104741234143	7.55873340143003	3.31412103746398	2.95897223373394	1.61593707250342	-0.149476831091181	0.411805078929307	0.435875608641715	-0.0119353523663095	0.954419531968033	4.11659553632597	25.2960292166865	8.44602521224631	9.00543564067474
"C101020"	"101-02-0"	"Triphenyl phosphite"	"DSSTox_26252"	4.62219983287955	16.9724086131685	27.2653410937454	2.27790979573222	1.27561576797827	15.2327565196198	11.4060626819661	10.6314948041567	21.353975815317	1.19402985074627	0.137741046831956	2.51979832657959	1.35087863741563	0.278709346899825	9.54622074209856	26.0447043118019	1.54840684311032	2.16260290682132
"C101053"	"101-05-3"	"Anilazine"	"DSSTox_20089"	0	0	0	2.26923531497459	1.14375710007229	9.49017199017199	3.35649665661466	4.69248684551022	2.76650127800331	1.4308426073132	0.309597523219814	0.150959947099514	0.237320304419319	1.50574263378708	21.6185505569561	68.9009511180846	4.25494135919063	1.04954300969306
"C101100"	"101-10-0"	"Cloprop"	"DSSTox_34232"	6.51362060386774	3.62365591397849	0	0.432900432900432	0.321748536876265	7.35163861824624	1.11177884615385	1.83904663822275	0.886058424477363	1.89274447949527	1.10803324099723	0.371808405388559	0.328490422335549	0.581608816157752	23.0315830515048	18.9535016568367	8.38454256979436	5.97946852722229
"C101202"	"101-20-2"	"Triclocarban"	"DSSTox_26214"	7.55441532126282	2.49507390024604	19.3659026267358	0.858946977435231	-0.0198963494935907	9.08423114593536	1.5625	3.32253977192735	0.438010051178017	0.278551532033426	0.824175824175824	0.546469911156362	0	14.2693506886352	15.175793506477	12.0147992934272	56.8884712318922	112.976035891458
"C101213"	"101-21-3"	"Chlorpropham"	"DSSTox_20764"	0	0	0	0.0965850293204554	-0.00262515422781089	-2.07532667179093	0.943465223433042	2.2089552238806	1.12116514654458	0.495049504950495	0.264200792602378	0.760839571356201	0.448972431471361	1.15673521342243	21.0126411258243	15.0336877232818	8.87192646238133	5.18184868684761
"C101371"	"101-37-1"	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	"DSSTox_37754"	9.95763044742039	7.62869892172942	25.2759917505762	0.967831778303858	2.95228731111571	4.14201183431952	38.3367501559854	3.34855403348554	54.0674924240195	0.438212094653812	12.8519855595668	0.507710186536406	0.0779664739061958	1.39930159236432	1.71793102721407	7.84949382851835	2.38970481518771	7.56631236095433
"C101428"	"101-42-8"	"Fenuron"	"DSSTox_37551"	0	0	0	1.95050946142649	0.640460321820469	0.512955412337237	0.419533478771604	3.16518298714144	0.273067457775679	1.19760479041916	0.141043723554302	0.27328375437542	0.103561534359971	1.81401108016049	4.4214313817576	15.008685831148	8.02690217732843	4.35004514093429
"C101463698"	"101463-69-8"	"Flufenoxuron"	"DSSTox_41978"	10.8615765091087	4.00153491594186	5.37099048290448	0.918679823069071	0.841810431062343	3.95668471470221	4.71081841839715	1.43226109415356	4.7486712752284	2.52525252525253	0.544959128065395	0.26258257525043	0	6.4057254159078	2.24484132590619	16.7673003717879	2.52621346243488	80.7810628588004
"C101542"	"101-54-2"	"N-Phenyl-1,4-benzenediamine"	"DSSTox_25895"	10.4172413930969	8.39794643657198	20.5010783821314	0.541959039306294	2.45922648356244	7.87488908606921	8.95620919826891	12.574294205052	6.88759211142821	1.58730158730159	0.41522491349481	3.17347370778315	1.49221108113768	1.19929448348949	14.4596773691165	12.3250924855532	2.8123933721503	2.377354327908
"C101553"	"101-55-3"	"p-Bromodiphenyl ether"	"DSSTox_23927"	1.46566036003642	5.91630732281683	17.6763972421886	23.4215394514598	0.831407272372148	60.667215815486	8.13825741570185	17.8751803751804	4.41300753261069	-0.129366106080207	0.134228187919463	1.25855433657861	1.15813583947217	0.705980986248213	12.0329667476003	8.91277299563028	8.78302101064574	5.83250954521801
"C101611"	"101-61-1"	"4,4'-Methylenebis(N,N-dimethylaniline)"	"DSSTox_20869"	0	11.6825064884142	0	2.12564366632338	0.299343286881396	7.23499719573752	4.53290008123477	2.9951690821256	0.349560917384262	0.410172272354389	0.408997955010225	2.71345246494388	0.897584433386838	2.38673420391401	4.46410775270288	62.5037586361621	6.60169611134234	14.1881883343262
"C10161338"	"10161-33-8"	"17beta-Trenbolone"	"DSSTox_34192"	87.7615496784632	99.4313853584678	81.3178018152111	70.6864888888121	2.45384961728951	73.8370881021938	20.4198152812762	95.4613841524574	29.3076214295116	97.1168437025797	29.9222797927461	3.46808338343297	3.61076165342039	79.700920332801	114.50894612896	150.371184053674	5.8582432336937	32.0427159633545
"C101779"	"101-77-9"	"4,4'-Methylenedianiline"	"DSSTox_22422"	2.28190699105932	3.63236278497805	8.89987639060569	6.38983050847458	1.03478202817278	12.8183889003935	14.2566510172144	11.1273124943042	7.22913417244006	0.890207715133531	0.27972027972028	3.13343910069457	1.74762857722908	2.68214394425813	32.5379756360853	42.2859045135228	3.6246625942193	9.64424464551661
"C101804"	"101-80-4"	"4,4'-Oxydianiline"	"DSSTox_21094"	14.6771865678822	11.0382050735672	7.2796762589928	4.85873208826021	2.77572278282484	33.0234438156831	22.6090788893786	13.5037692559816	10.4883970863352	1.53609831029186	0.413223140495868	3.56926294692878	2.17884808046393	2.05461857820463	5.07758280682622	13.4897366721172	15.2801614539826	7.16717091559179
"C101815"	"101-81-5"	"Diphenylmethane"	"DSSTox_41891"	0	0	0	3.67257177764203	0.816701680672269	46.4034875272463	7.61533073151206	4.7300719132989	4.88763270370881	87.4669020300088	-0.0608642726719416	1.21924128420987	0.610640994509276	1.41646726698659	24.6419903860109	36.5918804679315	3.56801405850392	10.1419317199047
"C101837"	"101-83-7"	"Dicyclohexylamine"	"DSSTox_25018"	0	0	0	4.75218328229557	0.804875421289955	1.84645286686103	2.42710712199267	9.27447757689598	1.80289714107062	0.841750841750842	2.31607629427793	3.45647161067598	2.95808812564387	0.742801372228429	2.83682247954182	10.8458392067032	5.68256991132967	6.61343851522991
"C101848"	"101-84-8"	"Diphenyl oxide"	"DSSTox_21847"	0	0	0	2.97826255124932	1.01817210048103	6.58854166666667	3.03845119655822	6.84539578255801	1.63194088063225	0.18348623853211	0.293255131964809	0.708318191980762	0.222823226607426	1.03089002067097	6.55279517378344	24.1542454297786	5.30126808965961	11.7812538801217
"C101860"	"101-86-0"	"2-Benzylideneoctanal"	"DSSTox_26684"	0	12.7684896571267	0	1.89823921131834	0.559377488654136	8.39116719242902	4.41821758208504	7.90806388780678	7.14664865125706	1.53609831029186	0.420168067226891	1.8908901169148	0.694823585162742	1.56611546724104	51.5599730511365	5.8200414906266	4.2323752462373	0.869114829638658
"C102067"	"102-06-7"	"1,3-Diphenylguanidine"	"DSSTox_25178"	0	0	0	0.155628566487982	-0.178968156010861	5.12401604039804	0.492213346243849	-1.30695867184741	1.28567181926278	0	0.964630225080386	0.475438205747806	0.136314557797096	0.315411315354938	1.60156858034981	2.67241087444641	14.0297519579403	54.0318191024571
"C10222012"	"10222-01-2"	"2,2-Dibromo-3-nitrilopropionamide"	"DSSTox_32361"	10.1469393630914	3.74471078632101	18.2640928801231	0.804381310970393	0.392558917562627	4.37000887311446	0.418103132105919	1.2258543833581	0.430208288963666	3.01587301587302	0.13840830449827	4.12300613417742	1.82204251726857	1.10145409921576	1.88632401870157	5.32582824446234	4.606475733198	6.50553705317266
"C102272"	"102-27-2"	"N-Ethyl-3-methylaniline"	"DSSTox_21848"	0.991051876588117	0	0	5.02139972270782	0.55598633956412	6.47482014388489	3.36396081707039	4.03697415581966	0.785328003762049	0.293255131964809	0.7097232079489	0.432445454455643	0.0268785363063718	2.3083885045478	5.49935211292131	9.94380781065863	6.26435241534438	4.04668607353058
"C1024573"	"1024-57-3"	"Heptachlor epoxide"	"DSSTox_24126"	0	9.04914457293665	0	4.17641636531235	0.496438592704511	18.2011546642358	15.4478028550921	35.3943789664551	24.34037435165	0.698324022346369	2.71041369472183	1.20220401365346	0.438450044231179	1.21017054230262	21.7868719109965	8.51064937093295	18.2135205405924	16.5346065734705
"C102603"	"102-60-3"	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	"DSSTox_26689"	0	0	0	2.13086931925325	0.260048434020836	4.93748675566857	-0.702831798021153	-1.05576208178439	-0.0603015075376889	0.149476831091181	0	0.125050636697677	0.102147954645904	3.0317730515243	28.1459014142571	16.8156537743888	5.19581210748317	2.74443749992617
"C10265926"	"10265-92-6"	"Methamidophos"	"DSSTox_24177"	0.253342523816858	1.92838029585767	0	3.03923978045384	0.907262778843006	7.83633841886269	0.919012062033313	2.39697914956493	1.67132774004528	0.29585798816568	0.13986013986014	0.483453118199823	0.174077870427499	1.61569798615354	4.76330328233705	17.8757952941317	4.7313734965946	2.36590276184648
"C102676313"	"102676-31-3"	"Fadrozole hydrochloride"	"DSSTox_20618"	9.55447611310451	54.9218406752226	38.7734207023651	3.41548612458762	0.963254709327197	6.15187439923102	7.15163430818383	6.32303839732888	11.8140017798873	59.5121951219512	69.9787083037615	1.49611700283862	2.20178738382551	0.511531838265098	8.93655311161453	142.675784252638	5.60520880503571	8.10329272492699
"C102716"	"102-71-6"	"Triethanolamine"	"DSSTox_21392"	0	0	0	0.619556022953293	0.459698540319774	2.10551218358174	0.0341180484476288	-1.33981154299176	0.953690967446124	0	0.13869625520111	0.452058503229051	0.521892456602276	3.97814839695795	17.146670915971	28.0794045556487	4.5062920916259	7.1372136993571
"C102761"	"102-76-1"	"Triacetin"	"DSSTox_26691"	-39.5599429451058	2.25507915295446	25.3102850136077	4.80630480630481	0.36058025684409	0.26572187776794	0.135216346153846	0.353096954538767	-0.655314043103051	2.05047318611987	-0.138504155124654	2.82119409934368	1.40111512304648	4.45245057925048	57.5222002839942	2.75038793526595	5.39302982777526	8.22814105683928
"C102829"	"102-82-9"	"Tributylamine"	"DSSTox_26183"	0	0	0	2.62475849394468	0.709376410976772	4.00383601054904	1.89100911122572	4.50230149597238	2.01211896942504	0.747384155455904	0.278940027894003	0.758302518006025	0.221767363902432	0.981163718415934	2.5163496093172	16.2866903487341	4.36548053714914	5.80474365630112
"C103055078"	"103055-07-8"	"Lufenuron"	"DSSTox_34357"	0	0	0	3.50450686314845	4.05816572489825	9.04000933162254	5.86234588313099	8.74205267938238	1.34264596189055	2.50671441360788	0.568181818181818	1.25124057468852	0.716715257853919	3.28614392410861	11.5492233599546	1.61405774188015	9.17999301298337	21.4182764857948
"C103093"	"103-09-3"	"2-Ethylhexyl acetate"	"DSSTox_26694"	0	0	0	1.49000926293503	1.21297112868482	1.19689596212022	0.732785142921071	-1.23639960435212	-0.0573104541010691	0.684345594525235	0.282087447108604	0.268782876042122	-0.00900919501625798	0.322850468240593	16.892778892228	23.4229260327959	5.9599401583839	5.5296790336819
"C1031078"	"1031-07-8"	"Endosulfan sulfate"	"DSSTox_37541"	0	0	0	7.71673862339338	17.0271783387622	12.256	43.9953676896352	13.9499811486741	2.08864890523942	0.625	1.17056856187291	1.13376364846346	0.897722862363559	3.71351033939301	7.02981840682099	30.7672335247539	19.800188766814	48.1263096812408
"C103117"	"103-11-7"	"2-Ethylhexyl acrylate"	"DSSTox_25297"	0	0	0	1.85949908368968	0.288865546218487	1.62266892710099	1.52106474532172	1.67122455180796	1.06852336964015	100.529567519859	0.0608642726719416	0.212616498847572	0.0332802165214595	0.945257123986312	17.7782332741368	17.0205668096425	12.7202766691962	3.71727617529418
"C103231"	"103-23-1"	"Di(2-ethylhexyl) adipate"	"DSSTox_20606"	3.06674485093639	0	0	2.044525215811	0.359991043285047	6.27640313820157	1.73640762880729	5.38310412573674	4.54012094954418	3.3800494641385	0.710732054015636	0.538076853916087	0.243839397812386	1.36560493375184	8.0261546268449	21.6715248587496	19.2889340332092	3.41267786808489
"C103242"	"103-24-2"	"Bis(2-ethylhexyl) nonanedioate"	"DSSTox_26697"	5.46627636059503	5.06357359748681	21.1518166742047	6.84190667840523	1.07194462179509	11.0612375761462	0.423508433018799	4.47920369712051	1.8379975985961	3.65448504983389	0.780141843971631	0.183619909339204	0.58129964093696	2.15981827899065	10.9952061646775	19.7629999511954	13.8673912852104	8.95413633698948
"C103333"	"103-33-3"	"Azobenzene"	"DSSTox_20123"	0	8.3923231603707	0	5.46448087431694	0.609178286178422	13.8050314465409	5.05357851567668	8.97009966777409	3.84260455501827	2.4174053182917	0.441176470588235	0.987129928008432	0.805965625202107	1.45780718416476	10.0692775384897	16.0175144644605	4.78901420223202	6.73274728487864
"C103344"	"103-34-4"	"4,4'-Dithiodimorpholine"	"DSSTox_26698"	0	0	0	1.38626855877287	1.41629841078143	7.02241195304162	7.8226937381867	3.20399019359202	16.0717658168083	11.8333333333333	0.154918667699458	1.43723044667641	0.0352643483616243	1.05983789099393	1.82310341513385	22.9039662797334	12.7979190821039	8.05948995049966
"C103361097"	"103361-09-7"	"Flumioxazin"	"DSSTox_32555"	0	0	0	2.01856299084832	0.601133368930533	5.73325286662643	1.05323085681754	3.22986247544204	1.76008665041971	0.247320692497939	0.426439232409382	0.669693748437207	0.388304493688986	0.957141240945806	2.13789837356128	34.3420239672185	28.2244893834271	8.99758475725852
"C1034011"	"1034-01-1"	"Octyl gallate"	"DSSTox_40713"	33.5607050984692	29.7064489496376	94.5028849550575	68.6700850262868	-0.315207468522314	123.596861798431	0.868203814403643	53.3831041257367	0.0270782561603043	37.1805441055235	33.2622601279318	3.89031683943251	0.530367173204422	29.0967560262048	2.97031041045117	6.15510650675204	58.4562581155296	95.1983878118356
"C103413"	"103-41-3"	"Benzyl cinnamate"	"DSSTox_41663"	0	0	0	1.37281163302401	1.34670418199745	8.99470899470899	4.31923479300553	3.81719488706006	5.77382532519246	0.297176820208024	0.134408602150538	0.382954830615656	0.374591973560429	1.76059677118849	24.6099498963201	10.0046351480574	2.94167823919635	3.71421435748007
"C103651"	"103-65-1"	"Propylbenzene"	"DSSTox_42219"	0	0	0	1.57122068927407	0.962081784386617	3.28255739111779	2.00736032117765	0.585662391578324	0.820817324484807	0.153139356814701	0.412654745529574	0.25276607037997	0.0455225173181615	2.70691010517634	5.04653803386616	17.5655151780386	2.84257254925202	14.0009176650071
"C103695"	"103-69-5"	"N-Ethylaniline"	"DSSTox_25271"	0	0	0	3.69329163299013	0.714262938044068	12.6219002507662	3.81895332390382	3.96703563060516	2.10451643414519	1.30932896890344	0.753012048192771	0.283900969132937	0.0183056545192503	2.13276191833542	1.68195667510084	3.49709791530594	6.0980803323233	4.46982923672185
"C103764"	"103-76-4"	"1-Piperazineethanol"	"DSSTox_21853"	0	0	0	0.570620136760198	0.225721502660289	-0.0125580811252027	1.22165969623597	0.782848501023041	12.2426946883547	26.40625	0.283687943262411	0.28497695871447	0.0494327478251863	0.258047291992064	1.99139531270955	19.3182194718628	16.9072757308051	4.17644994039321
"C103902"	"103-90-2"	"Acetaminophen"	"DSSTox_20006"	0	0	0	0.941176470588235	0.621030742426797	12.3493975903615	0.75091867710497	1.38899912691483	1.04027740730862	0.78740157480315	0.295420974889217	0.37830973349442	0.226261744611634	0.549218897943991	3.52646754048786	9.76430438465852	2.81128501644901	8.44581355454956
"C104098488"	"104098-48-8"	"Imazapic"	"DSSTox_34270"	0	0	0	9.06570557249792	0.787466051615193	12.6041929780248	1.18190822053483	6.63412870571222	1.98928223449172	1.04347826086957	0.301204819277108	0.50006182877161	0.194022023922252	1.73094651028433	13.7939171375905	14.8702128498843	2.13167491810894	4.80222491183045
"C104132"	"104-13-2"	"4-Butylaniline"	"DSSTox_21856"	0	0	0	2.24570187387255	2.75959609249087	36.2887524337277	4.95928941524796	14.0152511175388	2.58582408198121	0.302571860816944	0.142045454545455	1.44453367838714	1.07673451260282	0.736813586625575	23.9192586235001	0.250428176256815	11.3703356039972	5.10034720581365
"C104206828"	"104206-82-8"	"Mesotrione"	"DSSTox_32424"	0	0	0	-0.0361297781631621	0.755203536562903	-2.8399781540142	-0.149276011344977	-0.371024734982329	0.824175824175824	1.11287758346582	0.14792899408284	0.0495019614175685	0.239489771055037	0.240431941566443	0.272024531978157	18.5666789065357	1.20817773077692	2.41416534851421
"C104405"	"104-40-5"	"4-Nonylphenol"	"DSSTox_33836"	10.2203670635686	4.38792980716135	9.10537151413064	107.738712462227	26.4886555718938	140.640837011607	138.55275159623	87.1194678946022	62.5375161911983	5.8405682715075	15.3954802259887	2.16899711658312	1.12155457504627	1.0765763907095	47.4127225469301	29.2667896552246	13.9515868746453	2.87269416669913
"C104438"	"104-43-8"	"4-Dodecylphenol"	"DSSTox_22508"	29.074220172351	59.7101346979589	13.5130076735916	83.5019810164467	123.874168877443	152.20813292523	119.564956998778	67.2694244901329	74.6110978153099	100.613496932515	101.931649331352	2.89798041837147	3.18740414261275	52.0103576939576	63.042324975886	92.6973303293414	54.5636397458223	91.2098978622543
"C104450"	"104-45-0"	"4-Propylanisole"	"DSSTox_42325"	0	0	0	1.14057895649159	1.08873894459528	3.80983393031586	0.814402057436776	0.709673294546385	0.244137487953743	0.148478099480327	0	0.769804990467362	0.19387973359404	1.2749372614234	30.1223560993325	8.82556572889693	7.108540626454	5.94527344410422
"C104518"	"104-51-8"	"Butylbenzene"	"DSSTox_22472"	0	0	0	2.97244807268179	0.373467178895536	4.6671490593343	1.11484422724496	2.49921899406435	1.94271980773082	0.797448165869218	0.421940928270042	0.514558009630192	0.249739385227493	0.724769962844276	4.6591078499394	1.96107154356236	9.83348688996883	4.77130769409541
"C10453868"	"10453-86-8"	"Resmethrin"	"DSSTox_22253"	4.49827572413271	11.0058049625825	0	2.80009739469199	0.229124934829735	3.52802822422579	0.925313945803041	7.71210589208567	1.55882114151173	0.417246175243394	0.139275766016713	1.38801473365551	0.70859223019509	0.928740544959736	29.8740032237281	20.3961896244566	39.2635954030251	12.7339190492961
"C104541"	"104-54-1"	"3-Phenyl-2-propen-1-ol"	"DSSTox_41491"	0	0	0	2.94466872476846	0.884337619896972	3.87697079348669	0.455886296594263	2.3696682464455	2.25778167470408	0.150037509377344	0.669344042838019	1.82195147639468	2.24867529255974	0.650589950917074	30.8432633835161	36.3690205949004	6.44966136583228	3.59811702197233
"C104610"	"104-61-0"	"gamma-Nonanolactone"	"DSSTox_34229"	0	0	0	3.12090842002523	0.585030188628726	2.64725347452019	1.15153367981249	0.583901014875574	2.58971157847562	0.174825174825175	0.589535740604274	0.459494763184455	0.205696598810073	1.31143254115975	3.1493126385724	1.90763610363653	2.8746727112182	5.36309621869091
"C104665"	"104-66-5"	"1,2-Diphenoxyethane"	"DSSTox_26706"	8.2619271540864	7.56795692926544	4.23422629538245	0.88020210078447	3.04456740165717	-0.178389398572885	1.3032758013385	0.51980198019802	-0.99391683010338	-1.05263157894737	0.305343511450382	0.438320473536004	0.230759216423929	0.600108805118025	22.6975331392973	17.2956593271116	4.17246933525452	4.58869143210731
"C104676"	"104-67-6"	"5-Heptyldihydro-2(3H)-furanone"	"DSSTox_34287"	0	0	0	0.430159889619349	0.288121175534396	0.0392003136025089	0.925313945803041	5.63470907252504	1.36396849882277	0.556328233657858	0.278551532033426	0.370580005637744	0.359066264569849	1.89197699668686	14.0297388275403	3.15197352197599	5.0054440557534	2.95647984451128
"C104767"	"104-76-7"	"2-Ethyl-1-hexanol"	"DSSTox_20605"	0	0	0	3.26367865317876	0.243686032416491	1.39630390143737	0.962636645456028	1.6394903323532	0.109401210706731	0.28328611898017	0.310077519379845	1.64683603900979	0.405594508104927	1.50730905240208	9.70047157614894	7.0361639463622	11.2359364539568	5.77733923530306
"C104795688"	"104795-68-8"	"CI-959"	"DSSTox_47268"	0	18.4151006537154	0	2.91784979927543	0.513880958627182	1.77894429862934	0.527983104540653	-0.297694990218594	0.102506756127107	0	3.98351648351648	1.92599941855622	1	2.39353679947145	2.20192008857896	1.68729627069879	68.3029461131127	62.8258532571136
"C105215"	"105-21-5"	"1,4-Heptanolide"	"DSSTox_47611"	0	0	0	3.13679038343424	1.68882904112663	4.36494913029209	1.31880733944954	0.941059930658743	1.24596892406919	0	-0.142755174875089	0.333267481363186	0	0.51698309166064	3.15073694152103	3.55274361580813	6.03839041317262	4.46110406944634
"C105373"	"105-37-3"	"Ethyl propionate"	"DSSTox_40110"	0	0	0	1.10975505917748	0.347200461262707	0.673063153372475	-0.0840777719390437	4.50473509086256	0.188000653915318	1.42095914742451	0	0.487338948114019	0.0589170428919125	0.86036408167864	3.68440195353115	18.5142265844871	4.07123950688133	6.91920922861327
"C10540291"	"10540-29-1"	"Tamoxifen"	"DSSTox_34187"	97.5171917083503	106.296538362783	98.3560356975106	260.601413771178	354.036412598056	425.663317150277	340.158066548308	247.544475068905	240.507145524288	106.714413607878	98.1534090909091	0	0	94.0052066058539	7.92055237051228	46.7454769520399	102.530354889856	106.075833417715
"C105512069"	"105512-06-9"	"Clodinafop-propargyl mixt."	"DSSTox_32354"	2.95122058940558	5.25852991452991	0	1.94462955109953	1.02082281520521	1.62374020156775	1.75929871552931	2.59915460023384	0.319213801513575	15.3530377668309	0.144404332129964	0.302392490286869	0.376699515378173	1.45647431855615	1.51623668944909	12.6962968473085	31.0307504954911	16.3060824322392
"C105533"	"105-53-3"	"Diethyl propanedioate"	"DSSTox_21863"	0	0	0	0.909237639210201	0.395210287264791	3.18060498220641	0.852043753598157	3.30792802702915	0.520077834777993	0.160771704180064	0.144508670520231	0.376427600654423	1.66648393083743	0.741097856055143	25.8377285937323	6.19680406711988	3.11718485170693	14.8191674351261
"C105544"	"105-54-4"	"Ethyl butyrate"	"DSSTox_40111"	0	0	0	1.46398709109579	0.0657943925233642	-0.92892633398142	1.01887126783025	4.52238117212737	2.2127526486571	0.687757909215956	0.296296296296296	0.25146864645641	0.223122567129086	1.4553243897531	8.10605876812261	3.49862496125405	6.09247696728691	1.19851110900139
"C105555"	"105-55-5"	"N,N'-Diethylthiourea"	"DSSTox_20466"	4.37103881209635	10.4546586565829	65.3465089065141	1.36328352416068	2.08434747975395	0.576738224927905	5.06266896043254	8.80634390651085	6.3779293978048	4.55284552845528	0.14194464158978	0.18482301949585	0.147624652934479	18.7720953310157	59.9681411576762	23.0401141004553	6.04707066412551	10.6981146514497
"C105602"	"105-60-2"	"Caprolactam"	"DSSTox_20240"	0	1.62557853971853	0	0.660556804426767	0.488768205381387	1.50007426110204	1.36367304123295	-2.24302366654893	0.535077288941735	0.46583850931677	0.45016077170418	1.39011342124881	0.343732465205706	0.640464604525138	2.3773057488771	17.9780901784769	2.35848238874826	9.89784600634636
"C105624860"	"105624-86-0"	"5HPP-33"	"DSSTox_46970"	83.9376049772901	56.0979743385009	80.4286206764469	101.261340540994	26.0357241536236	142.339478703115	96.8474923234391	97.0557620817844	68.5547738693467	95.9641255605381	96.4285714285714	2.37658007406545	2.03300984729688	71.6597839855377	93.2388917648042	124.715023056231	86.1331818125327	79.1134916725141
"C105679"	"105-67-9"	"2,4-Dimethylphenol"	"DSSTox_21864"	0	2.50471053200233	0	0.433245717393275	0.670154700771889	7.13983945923109	3.69073890875885	4.84668644906034	2.85277636271014	0.151975683890578	0.362976406533575	1.17141906606947	0.184814963519976	1.4973023522423	1.61691280302492	12.5471983719123	4.6536418064352	3.82244343135854
"C105873"	"105-87-3"	"Geranyl acetate"	"DSSTox_20654"	0	0	0	2.65150733549306	0.629642003546555	-0.353690167413344	0.207276106068188	1.71263498177316	0	6.15384615384615	0	0.704738809533717	0.478826969051301	1.43804648882129	17.7646763323041	4.60972097711723	7.76439199867106	4.49019294960112
"C105997"	"105-99-7"	"Dibutyl hexanedioate"	"DSSTox_21866"	0	0	0	5.25082044069386	0.74178735429177	7.85489860039989	2.26559301214685	1.73511204115442	4.89504687629636	2.75862068965517	0.141242937853107	1.00423045380326	0.541216570750704	1.06112694832301	2.69979280513	12.3550596334294	5.92512323273014	4.79583418146198
"C10605217"	"10605-21-7"	"Carbendazim"	"DSSTox_24729"	0	0	0	1.91242708410249	0.518613863860737	10.1437371663244	3.57317670093	0.677180789450233	2.31930566698271	0	0.155038759689922	0.255808662103587	0.245805653980821	3.95084427533362	30.2407621682908	2.63204738410886	21.1098692910373	5.5875248559986
"C1061517621"	"1061517-62-1"	"PharmaGSID_47337"	"DSSTox_47337"	7.07660185586432	5.30058713456932	16.8404414619267	0.880477684444893	-0.0352539385259447	7.29080364540182	0.52505966587112	0.537488093618181	-0.0116845180136324	0.147710487444609	2.48447204968944	0.516091786226021	0.409729285518401	11.8605842299713	1.19427356166153	3.64202009636664	71.1723921175438	13.0238071119683
"C106229"	"106-22-9"	"Citronellol"	"DSSTox_26726"	0	13.0627985177409	0	1.1592145729832	0.611658355646172	0.264550264550265	1.09213516088837	1.73890474954581	0.428759894459103	1.38674884437596	0.27972027972028	2.14978063145487	0.692744035664473	0.645930622367548	14.0628555572975	3.78428386326506	5.14067622162475	5.52050003477056
"C106230"	"106-23-0"	"Citronellal"	"DSSTox_41790"	0	0	0	0.985616599858524	2.29752243779223	1.77068943865378	1.1336121505613	-0.765056489636152	1.7129696271772	42.1875	0.567375886524823	0.119452221089284	0	1.0593630220509	11.8315878609041	2.89515246850297	6.43197358183465	4.0194178066201
"C106241"	"106-24-1"	"Geraniol"	"DSSTox_26727"	0	7.82719284723292	0	1.80058593107081	0.512625331541325	5.13748191027496	2.56566890653635	7.99750078100594	0.124173843380732	1.11642743221691	0.140646976090014	1.89241500708082	0.558354864857675	1.26595794798442	3.11828580898447	8.8559548031584	5.12024919931681	7.0799957179545
"C106252"	"106-25-2"	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	"DSSTox_26728"	0	0	0	0.224191757286233	0.0503843840915369	2.60648442466624	-0.634595701125895	2.70631970260223	0.116582914572864	3.1390134529148	0.428571428571429	0.423428581098204	0.438047477325342	0.495670606714055	3.64430563780645	4.78257777208404	2.35101425847606	8.2539390159155
"C106274"	"106-27-4"	"Isopentyl butyrate"	"DSSTox_42059"	0	0	0	-0.262088848119513	1.17660164028016	7.60301799187464	0.58037899447591	3.26902465166131	1.16782006920415	3.17965023847377	0.131926121372032	0.252122928315841	0.292385229566203	0.464472896751153	14.7660279333971	13.0940777559472	3.14926382223932	3.42874591944878
"C106309"	"106-30-9"	"Ethyl heptanoate"	"DSSTox_40112"	19.5655871415649	14.445487385158	17.9892243272525	0.537282138645001	1.01229513903393	12.7103888566454	1.67121180337039	1.9113969274741	1.83391003460208	3.17965023847377	0.395778364116095	2.72994690683651	2.15580060151146	8.10827408065876	45.008643015195	14.7802719066654	4.58304717615477	8.81192808005652
"C106434"	"106-43-4"	"4-Chlorotoluene"	"DSSTox_24814"	4.14956385766488	0	0	5.03498753317783	0.403007910413751	-0.28830313014827	-0.0591565959604487	3.1024531024531	0.745912180782656	0.517464424320828	0.268456375838926	0.459162792831414	1.84569906092287	2.35055538150977	1.74833785087656	13.674149165411	8.50271328282353	7.49693230887086
"C106445"	"106-44-5"	"p-Cresol"	"DSSTox_21869"	0	7.88426776645472	0	2.86312419186011	0.967103259214133	7.31707317073171	2.25219326960849	6.12621359223301	1.67529916056439	0.332225913621262	0	0.93179011981414	0.125530882083858	0.879122738326867	2.90527740567177	3.29150926415762	4.30370648438987	5.78858713527848
"C106456"	"106-45-6"	"4-Thiocresol"	"DSSTox_48188"	0	0	0	1.54213124757308	1.09992500511329	5.77035735207967	3.01956336830167	3.92655367231638	3.85953935791655	1.09034267912773	2.14765100671141	1.43892766978697	0.445871196277732	0.512892646593018	13.1649979464808	2.51684340931751	27.9323969920771	7.08621644168581
"C106467"	"106-46-7"	"1,4-Dichlorobenzene"	"DSSTox_20431"	0	0	0	2.98431967627719	0.690734941978265	3.44074276351721	0.821018062397372	1.55477031802121	1.75255778704055	1.27186009538951	0.29585798816568	0.336097868023515	0	0.504938473057098	2.30137639803044	8.81640346583127	4.52447207746735	2.39686180560533
"C106478"	"106-47-8"	"4-Chloroaniline"	"DSSTox_20295"	2.22990813348308	9.05495277511219	4.03340490198812	0.201207243460764	0.198663969798275	8.66089273817455	1.05426356589147	0.941051136363635	0.162557572473585	0.319233838786911	0.27027027027027	0.620927232194692	0.00153738405924342	0.550193716198149	5.24293009685577	2.49969051918251	41.3421013399958	1.12192532832541
"C106489"	"106-48-9"	"4-Chlorophenol"	"DSSTox_21871"	87.1937985423106	99.2599667549763	75.1766893986361	5.18630260974506	0.727741216616177	42.8396572827417	15.0087405310913	46.117298855051	27.6463872125265	0.138312586445367	5.04201680672269	3.13797758114545	1.22728924798002	0.821117198052586	4.66533421454035	10.3134128108638	3.51096066226486	10.2469116574194
"C106490"	"106-49-0"	"4-Methylaniline"	"DSSTox_21872"	0	0	0	0.466261986452011	0.137525186298654	-0.608407079646018	-0.26846800034641	0.742811501597444	0.074751560988479	0.225733634311512	0	0.477120765461973	0.235669506662607	2.20854567920985	5.56872763539612	9.85907889238121	3.32954545007331	4.73243776431575
"C106503"	"106-50-3"	"1,4-Benzenediamine"	"DSSTox_21138"	6.25250359339287	21.5255942170726	18.6278107693334	2.26580178005732	2.41071532202839	12.7702978376173	22.1343544493465	13.2954279928343	41.1906703637253	35.9612724757953	63.8655462184874	0.575973717493897	0.108222800549494	21.0395848523024	30.3299712019013	0.45080526768801	31.5686026659575	28.6926171482783
"C106650"	"106-65-0"	"Dimethyl succinate"	"DSSTox_25152"	0	0	0	2.33606557377049	0.220288713587753	5.62893081761006	2.01084799576664	0.801250732851278	0.837916651286404	1.77276390008058	0.147058823529412	0.47378171371434	0.285060712163795	1.94306679532566	18.452636692351	3.66943012994636	6.86016781634939	4.56301184600241
"C106683"	"106-68-3"	"3-Octanone"	"DSSTox_41954"	0	0	0	0.612434022321608	1.23078898925468	2.87170773152081	2.17544850967651	5.9575748457951	1.39925958461442	0.278164116828929	0.309837335398916	0.201693428668616	0.0712312567307728	2.28769084113009	3.3180813382257	6.18279649431579	11.3379143088116	4.88598301081611
"C1067250"	"1067-25-0"	"Trimethoxypropylsilane"	"DSSTox_42494"	0	0	0	0.0951520053285124	0.565156607870549	1.61290322580645	0.990618644623763	0.395098104868412	4.31101389966838	2.15410107705054	1.01966496722505	0.192729616633988	0	0.688685645724419	4.52242393043416	10.4715887606775	14.0760778443231	9.34514917210728
"C1067534"	"1067-53-4"	"Tris(2-methoxyethoxy)vinylsilane"	"DSSTox_27356"	13.0646824601106	9.35363806650935	31.2019446719687	0.995928593798935	3.13127598789353	5.0303848750844	1.58125915080527	0.831202046035805	1.51362260343088	0	0.145878920495988	0.15107501683479	0.0248746686390348	0.855659636441367	3.93785120893766	28.6197007640502	21.1548605520999	10.3297671362012
"C106876"	"106-87-6"	"4-Vinyl-1-cyclohexene dioxide"	"DSSTox_20604"	0	0	0	2.85510531543693	0.542797494780793	2.78569861811801	2.5915186661834	1.68622912878162	0.0808044532231989	0.0716845878136201	0.137551581843191	0.2711834761781	0.0503816958921516	1.88181642183457	2.6721788418618	10.7780565159645	6.40280292323933	5.66844771346636
"C1068967963"	"1068967-96-3"	"SAR102608"	"DSSTox_47391"	0	0	0	-0.15295325497098	0.562354738570058	-0.402627675354951	1.43978164448993	0.371747211895909	2.16683417085427	15.3961136023916	7.14285714285714	0.3962972736913	0.15223576743006	1.57415083552053	0.556902525188943	8.9099728854521	27.341662931649	36.0386024670888
"C106934"	"106-93-4"	"1,2-Dibromoethane"	"DSSTox_20415"	3.37711353418741	11.6340252225293	10.4306014451876	0.447711695777139	0.721516117416412	5.49760973489787	0.504767246214246	1.39258332029416	4.67763929851267	0.33003300330033	0.459418070444104	1.51387351469728	0.881631811285849	0.568370206553972	9.73214829075725	18.0497827540932	6.7401354603931	6.70328620768625
"C107073"	"107-07-3"	"2-Chloroethanol"	"DSSTox_21877"	0	0	0	1.3242236978467	0.624435655148732	1.01214574898786	0.468164794007491	5.12101910828025	0.059519380998436	0.682805710738672	0.132450331125828	0.452390913761212	0.18188633440187	2.05933250364801	10.0954540605205	5.48140532747886	2.3913338446775	6.82941796560436
"C107131"	"107-13-1"	"Acrylonitrile"	"DSSTox_20029"	3.72660083432192	21.7331952436869	16.2608906098742	1.47054912910517	-0.0165166405153192	-0.637104994903161	2.70048139016085	2.27722772277228	1.41275803610012	4.21052631578947	0.458015267175573	0.119121687154322	1.54514881826516	0.962207467786609	16.5121203247453	31.1132945750508	2.24363005150285	2.38187221956982
"C107186"	"107-18-6"	"Allyl alcohol"	"DSSTox_20044"	0	0	0	0.91101307786682	0.00465116279069768	0.78646092583375	1.89053209330691	1.2361049355269	2.6538141140069	0.294550810014728	0	0.637242885541342	0.0866253708212843	0.718931606232202	3.75089257111	14.8704814131396	4.02991335563817	7.23270481835624
"C107200"	"107-20-0"	"Chloroacetaldehyde"	"DSSTox_20292"	0	0	0	5.35587036456403	0.500616057454295	-1.9676432006996	13.4309944182258	4.16976302534886	4.32493418578413	0.460122699386503	2.67459138187221	0.133846150295864	0.306438103143153	1.81788415186867	31.1977800406048	3.3530371627719	2.98943850193638	2.7703624273829
"C107211"	"107-21-1"	"Ethylene glycol"	"DSSTox_20597"	0	0	0	1.0584646036984	0.136968526074482	1.6231884057971	2.23268529769137	1.37097428409183	3.50077412695682	1.07719928186715	0.305576776165011	0.767081447140282	0.204044903234673	0.946121912817416	2.13876994904105	9.74423367619679	4.78596720748719	3.47294704428735
"C1072157"	"1072-15-7"	"Sulfuric acid, monononyl ester, sodium salt"	"DSSTox_47487"	13.0947606634392	63.5759521898136	92.1988532776706	2.10297922056246	1.15697797918289	4.26123883438278	5.2491914752467	2.24232146221971	2.66197612254508	0.310077519379845	0.306748466257669	2.5035991562617	3.42824635325717	2.26206906207542	61.6093417824945	47.2686017062365	8.25108565616163	1.1310609616689
"C107302"	"107-30-2"	"Chloromethyl methyl ether"	"DSSTox_20307"	0	0	0	0.845599749451927	0.514807795660906	1.08035111411208	1.94729136163982	2.44245524296675	1.56271306624485	0.287769784172662	0	1.43007253416719	2.28564397756259	1.84595376042182	22.2637975413907	56.1455097000878	2.26290502685498	7.41958979693329
"C107415"	"107-41-5"	"2-Methyl-2,4-pentanediol"	"DSSTox_21885"	5.04745184424533	0	0	1.39911043710304	0.743912215691454	-0.765217391304349	1.13236922257833	-0.0601911671701196	0.294914809550911	0.291573679978501	0.150375939849624	0.156255597096028	0.0969311677560448	0.814464232760146	6.79812261801549	32.5875395805051	5.82366607126989	10.3348356248895
"C107460"	"107-46-0"	"Hexamethyldisiloxane"	"DSSTox_26769"	0	0	0	2.18689065546723	0.671302809824336	-0.103016924208976	2.36113292497775	6.39497073487969	1.36724960254372	1.32827324478178	0.280898876404494	0.408499907672874	0.181434749836086	1.35783808397737	1.9167851211428	10.8214646287162	6.48773311696983	7.99568056089467
"C107517"	"107-51-7"	"Octamethyltrisiloxane"	"DSSTox_40710"	0	0	0	4.69473122107512	0.706855161376367	3.54109499542664	2.73298251570192	3.52999668544912	2.32948312576628	0.145985401459854	0.539083557951483	0.397526606792435	0.212477237601609	1.04232319455925	6.46260983747358	2.62380876974629	2.71946367158623	8.54514432134086
"C107534963"	"107534-96-3"	"Tebuconazole"	"DSSTox_32113"	0	0	0	1.96180426543806	0.823934495604614	3.80414312617702	0.688055662930035	24.6198885636037	5.7657926102503	1.65586753059755	0.273972602739726	0.897438515256887	0.324802267379236	0.630252299235955	2.75322598865604	2.15871636379245	19.5146498376518	34.6038825200696
"C107540"	"107-54-0"	"3,5-Dimethyl-1-hexyn-3-ol"	"DSSTox_41472"	9.62884767891937	6.38555547772108	17.1250298068516	1.43332003722909	0.148649764637872	0.152905198776759	1.53810027004814	0.544554455445545	0.309144699664263	6.31578947368421	0.610687022900763	0.236206232473496	0.0309293332259862	1.75219689226926	6.79436629742926	18.7846159569585	2.55983353909722	6.03468520280769
"C1076977"	"1076-97-7"	"1,4-Cyclohexanedicarboxylic acid"	"DSSTox_38788"	34.3233925094852	5.75813970389751	14.9195490895077	4.3006335272114	0.523237216103825	5.17444800269678	2.95058006759843	2.20183486238532	1.02098239408313	0.142450142450142	0.309597523219814	0.112514700860691	0.080901316777772	1.08871366510937	6.55439430479855	8.50555656857815	6.36463986049875	9.55970111534446
"C107755"	"107-75-5"	"7-Hydroxy-3,7-dimethyloctanal"	"DSSTox_42232"	0	0	0	0.997911348340682	0.996793158738642	3.90625	3.57623016940038	2.45840839249762	2.80885422012385	3.6697247706422	0.146627565982405	0.256674620403517	0.243896777666093	1.77159561533436	3.59177521728437	5.79037531901671	4.410204499095	2.09746520419331
"C107879"	"107-87-9"	"2-Pentanone"	"DSSTox_21888"	0	0	0	2.71658975212903	1.40099348582647	1.48689516129032	18.0607491963524	2.48443045603696	36.5554222818034	2.15410107705054	34.3772760378733	0.0852680752806625	0	0.87859457478679	14.8774267260715	24.7008849037731	0.882908165435248	7.35888805662245
"C107880"	"107-88-0"	"1,3-Butanediol"	"DSSTox_26773"	16.8299173062391	5.8833964573669	16.0334978647884	0.475137216351274	0.743581349670299	0.809061488673137	-0.301550832854681	-1.08356591692661	-0.585963510454122	0.887573964497041	0.41958041958042	4.68033299908913	2.42625132885033	0.73733220848894	2.53362198263407	2.68146405142095	9.38147379471102	10.1361997942002
"C107926"	"107-92-6"	"Butanoic acid"	"DSSTox_21515"	0	0	0	1.93220338983051	0.0186928366379595	2.62994408780285	0.391236306729265	3.1076278137246	0.0108817875149629	2.07715133531157	0.13986013986014	0.325288529535302	0.0997251154842008	1.71107858771408	4.14755010509228	14.2241166664986	3.77118474576222	6.38082860458776
"C107982"	"107-98-2"	"1-Methoxy-2-propanol"	"DSSTox_24284"	87.5510214546499	97.6413185620173	93.3742173428253	2.12365634897304	0.545354301342006	0.386496322041341	4.8699799969226	3.33155786768786	2.24064191362931	1.84669599543691	1.82381813484888	0.642125629673391	0.528546570289519	2.7588462516326	40.7166515700366	20.9280543760093	4.41546984080117	7.26751835932219
"C108010"	"108-01-0"	"Dimethylaminoethanol"	"DSSTox_20505"	0	0	0	2.06995938687279	1.35469193798725	2.33039297243996	0.209158960810216	-0.136469089751172	0.0425907808952795	0.584808258771294	0.216634047178081	0.0988260098440709	0.0103509107311144	0.389428517962785	4.62509450928957	10.946502355092	16.9768278764531	5.72599356102245
"C108112"	"108-11-2"	"4-Methyl-2-pentanol"	"DSSTox_26781"	0	0	0	5.59694600086202	0.291907807899279	5.94297492270698	1.96412203744926	0.961165048543687	0.560814431148419	1.32890365448505	0.447093889716841	0.197187413465986	0.129431817423767	1.51423242434401	1.67646617162887	14.7340802807209	6.41812831297788	2.93113615752739
"C108214"	"108-21-4"	"Isopropyl acetate"	"DSSTox_25478"	9.9367692253347	14.1252379844556	25.3125503031604	0.32025971746951	5.50973461257925	4.36494913029209	21.8922018348624	1.38682516097078	41.3515098211668	3.17725752508361	56.2455389007851	0.798216340705327	0.306297312400704	2.58631611067856	39.3877354345068	8.23683819341574	3.46845259076489	4.65112501427997
"C108327"	"108-32-7"	"Propylene carbonate"	"DSSTox_26789"	0	0	0	4.6344598170409	1.01870153565455	1.72561079788142	0.901734104046243	0.649724483921375	2.25411531144015	0.14265335235378	0.158478605388273	0.114484450245413	0	1.41868831045445	8.36200463309886	27.5944746365295	6.8003693775324	8.5934253738472
"C108383"	"108-38-3"	"1,3-Dimethylbenzene"	"DSSTox_26298"	0	0	0	1.52531229454306	0.74072038149161	4.63604852686308	0.900267266844844	1.83769116921559	2.09117656363694	0.152788388082506	0.423728813559322	0.444739216033284	0.117921159787106	1.53873455044864	2.56229883446588	37.1025787533934	7.04889905633399	4.81485322460816
"C108394"	"108-39-4"	"m-Cresol"	"DSSTox_24200"	5.72690463264567	5.87097119749335	13.3809920064554	1.33598428824285	0.410991075622358	2.31298492168057	1.29903209373408	1.6261564098144	1.55824343467364	0.166389351081531	0.287976961843053	0.124067384344235	0.0313724887673485	1.9871418389183	5.63761952800298	17.9920250008281	7.48873480534931	8.76867600444935
"C108419336"	"108419-33-6"	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	"DSSTox_29848"	0	0	0	3.30615188328618	0.636320250891985	2.5776215582894	1.09157924581798	2.45762711864406	1.84178625894498	2.80373831775701	0.134228187919463	0.429876486700709	0.265859473337345	0.668658052742146	2.57855632100904	19.6108874239029	5.28104041194084	6.69497121700484
"C108441"	"108-44-1"	"3-Methylaniline"	"DSSTox_26792"	0	0	0	1.9597040768141	0.776831345826235	3.25301204819277	2.30059028303315	1.25459862277144	1.03685293774999	0.698812019566737	0.138792505204719	0.266848497703329	0.0632965301195866	3.47088988909789	9.4261500037309	21.3086699152195	9.37835796689884	7.51643521152453
"C108452"	"108-45-2"	"1,3-Benzenediamine"	"DSSTox_21137"	0	0	0	2.40107310529846	0.173455852784597	7.06195869420386	2.23255813953489	2.64559659090909	1.82199945814142	0.638467677573823	0.135135135135135	0.406711591147198	0.190546612058402	1.04541810293084	3.32878551862919	3.5794811586679	2.51402120782219	8.21907908156745
"C108463"	"108-46-3"	"Resorcinol"	"DSSTox_21238"	0	0	0	2.97570700731005	6.97067019907274	17.741273100616	34.6712351117637	19.014523745879	47.4290715483918	6.23229461756374	42.3255813953488	0.88397620366052	0.52651972432664	0.432193495649533	7.15494478802885	28.2444419424494	5.31854317057779	5.61142875926142
"C1085127"	"1085-12-7"	"Heptylparaben"	"DSSTox_22523"	32.5688106672857	82.7889168393016	54.3582338094866	105.282921621323	158.869190540407	179.526733562977	282.504542090034	102.866158296082	85.4346712211785	54.3116490166415	47.4431818181818	1.86026896485058	3.78758464560937	23.1281053423449	151.411246750487	94.6711545166158	72.0402002500503	2.75210629805871
"C108598"	"108-59-8"	"Dimethyl malonate"	"DSSTox_29145"	0	0	0	6.36627594364985	1.0275344720248	2.11515863689776	1.55717761557177	0.461504651673871	1.41615255187886	0.997150997150997	0.434153400868307	0.636748101542181	0.254018874082075	2.13515342786551	3.8330927437512	12.4152965184004	2.52212768363037	3.8775327031212
"C108678"	"108-67-8"	"1,3,5-Trimethylbenzene"	"DSSTox_26797"	0	0	0	1.10054701745246	-0.0159503331165723	1.61339421613394	1.42902010050251	3.81768035999419	1.31070134733586	0.696055684454756	0	0.314025291071388	0.129419953496817	1.19798864161138	2.18904436850887	16.4647494522057	8.4119059859407	4.20209457249209
"C108689"	"108-68-9"	"3,5-Dimethylphenol"	"DSSTox_25148"	1.45066320554624	11.2555129506979	13.9479598893499	3.09284535773211	1.64408891747397	9.46284032376748	9.66965080362285	7.73899848254931	6.16852146263911	0.569259962049336	0.280898876404494	0.168542641399869	0.0992244734611654	0.424729733483647	2.87370864242194	25.0644424553562	4.91852325237187	5.84663318216663
"C108770"	"108-77-0"	"2,4,6-Trichloro-s-triazine"	"DSSTox_26799"	0	0	0	2.259767687434	0.147405318198173	3.75356997144023	27.5951053025889	10.0708777942207	50.2984831185777	0.138312586445367	0.305576776165011	0.157021168211671	0.133975671056536	4.79957792902254	31.1250780110439	12.5057229088905	3.41268302232949	7.76046325878869
"C108805"	"108-80-5"	"Cyanuric acid"	"DSSTox_24873"	3.81823417817436	5.84392044424671	10.4298811364	1.7129486581307	0.561254112637894	3.88473852721451	2.87233257033153	2.14726519570547	1.35590030042492	0.416666666666667	0.072992700729927	0.251598668228544	0.29362518440991	0.946040024081456	5.38670454982265	5.28860812125308	3.64430654285762	7.40664031790172
"C108838"	"108-83-8"	"Diisobutyl ketone"	"DSSTox_25080"	0	0	0	8.17819379441844	74.3514610607812	3.41908173233474	29.5042148878411	1.19557573045202	-0.597494378413106	1.33630289532294	0.32258064516129	0.172784261047342	0.270024534118162	1.04426968106707	3.97987747642562	20.2145175511439	4.14709849496536	12.6827370805266
"C108918"	"108-91-8"	"Cyclohexylamine"	"DSSTox_23996"	0	0	0	0.688037033514062	0.635750571878435	11.6929221211449	0.620555914673561	0.112544368452947	-0.162038330446443	0.733496332518337	0.140845070422535	0.143936207866723	0.0583469621820591	0.441592044125359	2.84881936291199	10.685563024779	4.3657450206819	5.98525874635163
"C108930"	"108-93-0"	"Cyclohexanol"	"DSSTox_21894"	6.4120460848363	37.7250177202216	26.8215579942944	15.7242567481106	0.217295632082737	1.42557518730802	3.27399859346296	0.367901693761923	-0.191596115595724	0.707831926954097	0.363132760897557	0.126033194843745	0.20931369394323	0.868520534770952	4.16318461143415	6.40999905983126	5.36302943609124	7.98508148640472
"C108941"	"108-94-1"	"Cyclohexanone"	"DSSTox_20359"	4.10938768073936	0	0	2.49043218723654	24.7139929460459	1.01067817633538	11.7280067107057	1.85595372685522	0.828436199298042	0.318471337579618	0.312744140386284	0.072643354242591	0.0129261855938471	0.0619229980294918	5.62624586165439	20.8971880346581	8.12865965611254	11.9181574671267
"C108952"	"108-95-2"	"Phenol"	"DSSTox_21124"	0	39.4456828213342	0	0.284771334276285	0.361498805482208	1.13438045375218	1.10345971957189	1.41407931140486	0.82070982669053	0.448430493273543	0.254129606099111	0.257521121458605	0.210438380569558	1.00097490658046	3.40220221949057	1.47511945061928	5.36379213210645	4.8751985660671
"C108985"	"108-98-5"	"Benzenethiol"	"DSSTox_26811"	0	0	0	0.0396982929734019	0.267460856742182	4.01157437853479	3.88767690328355	2.57171117705243	2.22162289721201	1.71086398631309	0.423131170662906	2.95425767859774	3.57164894529157	1.88480086847524	32.6915999175361	5.12704985766329	8.71477560757418	2.8250019216071
"C109024"	"109-02-4"	"4-Methylmorpholine"	"DSSTox_29146"	5.06441085537616	9.70036119825854	4.01598458224691	3.67210783911629	0.903027475091264	0.106723585912487	1.16456313639412	4.06627779186744	11.7431539187913	0.5	0.464756003098373	0.855900985925592	0.0709583261400998	1.33365382809614	1.81801072544254	7.05073602516091	4.96345706847138	5.93709139970001
"C109433"	"109-43-3"	"Dibutyl decanedioate"	"DSSTox_41847"	0	0	0	0.544499405652057	1.49816694867456	-3.04761904761905	14.5331116652812	3.69685767097967	9.74633912138913	-0.0775795190069822	0.147710487444609	0.754887502163469	0.172815420360812	0.863774000625597	3.22549669345155	17.3017517021594	10.3620590391663	4.70863193269085
"C109466"	"109-46-6"	"N,N'-Dibutylthiourea"	"DSSTox_42187"	0	0	0	1.69473287781783	1.3419453783991	4.60409252669039	1.10535405872193	1.94075587334014	20.4740845568725	0.643086816720257	0.289017341040462	0.969790397084909	0.242079713366965	1.74303618294787	3.48771665640363	14.2019178976487	9.65859335247575	6.6942214570718
"C109524"	"109-52-4"	"Pentanoic acid"	"DSSTox_21655"	0	0	0	2.17125989839071	6.75474110377157	-0.186166404124304	6.29532317393589	1.99641668799591	3.26140264835704	3.55239786856128	4.07865986890022	0.464297291344823	0.034665833813048	0.763594458011813	4.69633409015727	21.390087607787	1.69247849643602	9.04458356992663
"C109557"	"109-55-7"	"3-(Dimethylamino)propylamine"	"DSSTox_25102"	0	0	0	1.26034935999803	0.313014997771582	7.21899644683248	2.18024119289491	5.07480916030534	2.3949299533022	0.930232558139535	0.578452639190166	0.647623930573067	0.375703136980603	0.300102456362295	10.3006568086444	12.4417686394817	2.45477346083792	4.25579331175669
"C1095905"	"1095-90-5"	"Methadone hydrochloride"	"DSSTox_20501"	0	0	0	0.747151484963576	0.289796565694431	8.34782608695652	4.51093560145808	1.07893242475866	2.37398933425082	1.25673249551167	0.611153552330023	0.5886222754412	0.18341999829112	1.64504834875129	6.58620223138375	4.13099919532447	6.60363801998733	1.95138600540383
"C109773"	"109-77-3"	"Propanedinitrile"	"DSSTox_21907"	0	0	0	1.65589202676647	0.697148309453823	7.87172011661808	-0.0159328695097993	1.0565860530641	1.26793344217876	0.336700336700337	0.272479564032698	0.0561531263047733	-0.0301674313237226	2.03411567334392	22.2686020842653	8.31810208153956	11.6865964346808	14.4998854400498
"C109864"	"109-86-4"	"2-Methoxyethanol"	"DSSTox_24182"	7.23920450578967	5.54536752136752	0	0.473126076316504	0.687917837418855	-0.464723278411492	0.296781066889884	-0.464125389941413	-0.280183392766175	3.19148936170213	0.362976406533575	-0.0179094177258827	0.0152667566533099	4.79238315414343	4.39689600583195	34.7134690553668	3.31900972777518	3.29499959199406
"C110054"	"110-05-4"	"Di-tert-butyl peroxide"	"DSSTox_24955"	0	0	0	0.722844490752799	0.038035409739519	-2.64840182648402	0.298366834170855	2.23544781535782	-0.0407050107868288	1.00541376643465	0	0.220307190640365	0.163467471623932	0.450349801483369	2.39835364592649	17.9298685162073	6.14872239578053	4.90993144175457
"C110123"	"110-12-3"	"5-Methyl-2-hexanone"	"DSSTox_21914"	0	0	0	3.51539122062918	26.142675306642	2.10140093395597	6.54918605275882	3.01861603500705	47.4202175075771	0	0.15015015015015	0.197403432003949	0.0749844831670364	0.148976765333103	4.16968168837035	16.4854811915522	7.74326424432619	6.78215246265961
"C110156"	"110-15-6"	"Butanedioic acid"	"DSSTox_23602"	0	0	0	3.10276978961707	1.6085545857515	3.52266981291084	0.703389056362473	3.6901121304791	1.7847093817831	0.284900284900285	0.309597523219814	0.22280635927738	0.0691984537165383	3.00535724847487	28.9563188274793	22.5116795231948	12.6194881282763	9.17014121098212
"C110167"	"110-16-7"	"Maleic acid"	"DSSTox_21517"	0	0	0	1.46446996172408	0.988568961207191	1.14235500878734	2.87779982988375	0.743879472693032	0.230712079145975	0.778816199376947	0	0.345861922676523	-0.0302002377756985	0.882781203293537	2.17911347723462	17.3785730007443	5.06139334168791	5.76615460216447
"C110178"	"110-17-8"	"Fumaric acid"	"DSSTox_21518"	0	0	0	4.94929620099894	1.80276927295161	3.92718692061352	0.191833379007947	-0.0407747196738023	0.120588471742101	0.427350427350427	0.309597523219814	0.520695888151778	0.0323525958837302	0.48780258988618	5.44915295624203	17.040918430415	9.49892720300063	4.01665058651226
"C110235477"	"110235-47-7"	"Mepanipyrim"	"DSSTox_42121"	0	0	0	0.826502040954018	0.273218023576071	-0.331400165700083	1.58881691101261	6.93291604299905	2.59785783836417	0.147710487444609	0.276052449965493	0.372999386764821	0.163119125639229	1.83043724136155	33.9860306293325	11.3902437763416	10.0923257097835	5.71331648342461
"C110258"	"110-25-8"	"Oleyl sarcosine"	"DSSTox_42243"	24.1032345484282	55.8071390516782	25.0867573570239	0.819089651045368	0.11722711766178	23.7839729382946	5.65449478010298	10.2179836512262	6.06903098935377	21.6651745747538	6.67613636363636	0.376065282662758	0.352425521979169	19.0951548360176	2.59464635046708	3.25944801896311	73.662101628978	16.2374348540517
"C110269"	"110-26-9"	"N,N'-Methylenebisacrylamide"	"DSSTox_25595"	4.27127516578051	13.8237571864855	24.5967134026836	2.16250674250968	0.306851775623994	6.58835546475996	0.304194684598143	1.13551595524244	1.93228454172367	0	0.274536719286205	0.204956150330426	0.127393893371945	2.05469573119832	23.3340279378741	2.68117356221194	1.94700631609044	1.46168157874957
"C110270"	"110-27-0"	"Isopropyl tetradecanoic acid"	"DSSTox_26838"	4.27742894350821	6.27633517474298	12.9471819102261	1.16626133097502	0.566810258598845	4.51977401129943	0.382399428950186	2.12799248943827	2.47677036755145	1.32013201320132	0.153139356814701	0.311749690866821	0.181378855510598	0.98856181030116	10.4316724510614	24.0031978982416	22.116605983336	11.1666831964977
"C110338"	"110-33-8"	"Dihexyl hexanedioate"	"DSSTox_26841"	0	0	0	1.04030280667508	1.66405612005837	3.13258327818222	1.19229593396515	1.2095092450994	0.867505361887384	0.34965034965035	0.147383935151069	0.61464704103397	0.681409992484503	2.40099074181646	2.48688093177989	3.19383973439465	12.4382061865903	9.6488451180629
"C110429"	"110-42-9"	"Methyl decanoate"	"DSSTox_26842"	0	0	0	1.33107755081731	3.16808243977162	1.54192097654995	2.5121620543903	3.06581059390048	2.47275284190789	0.14265335235378	0.300751879699248	0.131805149273384	0.449632938642164	0.715700814421808	4.60665316068227	24.0437456380504	9.19587595692528	5.13201648423541
"C110430"	"110-43-0"	"2-Heptanone"	"DSSTox_21916"	0	0	0	2.50111656989728	0.310464169381107	1.12	1.72553561088593	1.50810607012693	3.60173262920548	0.78125	0.334448160535117	0.159225928435006	0.115688470864785	0.486918248707687	17.0043348496852	22.7247643015046	0.595398286160747	5.96615547438559
"C110441"	"110-44-1"	"Sorbic acid"	"DSSTox_21277"	0	0	0	5.47758500018418	1.48255555884355	2.34438156831043	2.37108858527986	2.70403146509341	3.46694264220037	0.460829493087558	0.413223140495868	0.330588954669214	-0.0289337782448267	1.9706892996784	3.3261675001418	9.92715255234205	0.895668264431238	5.24613245251087
"C110488705"	"110488-70-5"	"Dimethomorph"	"DSSTox_34545"	0	0	0	0.286445012787723	1.12684763671107	1.9277108433735	1.32609042978111	0.45241685848083	-0.186716457722058	3.1496062992126	0.443131462333826	0.853162703697075	0.311253730284469	2.55702268849324	9.59083581536961	10.2383875942725	1.33710866521479	4.11341465357225
"C110623"	"110-62-3"	"Pentanal"	"DSSTox_21653"	0	4.92509440388019	0	0.0939416824771131	0.25724907063197	1.78073374812272	2.55938440950151	3.19519608569946	0.375480265455815	0.459418070444104	0.275103163686382	1.63707947740563	0.47224354353999	2.23779430769363	1.47502473728472	5.5248998657901	8.66538653940182	6.48355829271998
"C110634"	"110-63-4"	"1,4-Butanediol"	"DSSTox_24666"	0	0	0	0.826829456765319	0.335529322587477	3.94836750189825	0.551893300628546	1.93768672641912	1.12720493331421	0.283687943262411	0.140350877192982	0.243208829234274	0.128133198726509	0.354118130027589	9.63276689669067	15.0218613197675	10.5953606133642	7.01587748535936
"C110656"	"110-65-6"	"2-Butyne-1,4-diol"	"DSSTox_21921"	0	0	0	4.29243713457242	0.846652267818574	5.00825536598789	1.79781903919835	2.81422924901186	2.15217995001388	0.489396411092985	0.292397660818713	0.0522201891358236	0.200175604701551	0.778808081726687	6.09474489936196	10.3529819412474	5.02561443609915	25.0161512949591
"C110690"	"110-69-0"	"Butanal oxime"	"DSSTox_24664"	0	0	0	2.39717241969045	0.987427681352915	4.18375717801477	1.52732209525964	0.685395797243351	3.75901297868931	0.493421052631579	0.14194464158978	0.690261314120554	1.55344759444555	1.0966229721103	3.21826319639471	0.822850668219623	3.46550604125489	10.7048920552024
"C110736"	"110-73-6"	"2-(Ethylamino)ethanol"	"DSSTox_21922"	0	0	0	0.463156137861971	0.726474545068329	-0.746815053448527	0.804378472510158	2.1543872872307	0.900252070579763	0	0.153374233128834	0.45204912180677	0.0329884119539103	1.6407544890867	38.3249264370293	40.2409858686059	1.52068754425816	9.08911331451623
"C110805"	"110-80-5"	"2-Ethoxyethanol"	"DSSTox_24087"	0	0	0	1.71583920135484	0.546689654156168	3.51673284174702	-0.00732332478945523	1.0017490857052	0.761788679820219	0.624512099921936	0.273972602739726	0.272774439613335	0.0703276755745137	2.85587853198489	3.44685550191067	6.6818836659779	8.21315606968257	8.3683557184946
"C110850"	"110-85-0"	"Piperazine"	"DSSTox_21164"	0	0	0	2.19629616614541	0.59309333248302	7.32794650320423	2.7031274556027	3.56306051547225	1.74509340269567	2.7823240589198	0.451807228915663	0.318040196130149	0.0950813143754876	1.44220361538901	35.9344880225959	24.8932659960303	5.94673705017507	6.38816456664328
"C110872"	"110-87-2"	"3,4-Dihydro-2H-pyran"	"DSSTox_41426"	0	0	0	3.230364451374	0.00449835809929393	3.48174720405149	1.85592953759044	-0.278787878787879	1.37175633184755	0.318471337579618	0.063653723742839	0.799539560374956	0.390837804407512	0.902184465146783	12.7772960464722	27.3771598711766	6.72350208758167	4.45227056977615
"C110918"	"110-91-8"	"Morpholine"	"DSSTox_25688"	0	0	0	-0.0503381409905674	0.386816567511933	3.60102455928883	0.519987000324991	4.14944112693309	1.60932081206406	0.291970802919708	0.158730158730159	0.333210946443252	0.0141142859324035	0.439401441910227	5.10605211209394	17.3703905556169	6.31738993520326	9.29746557617927
"C110974"	"110-97-4"	"Diisopropanolamine"	"DSSTox_20179"	0	0	0	0.510988514063489	44.1766087938242	3.80905672715383	76.1021587108544	12.4072652852392	59.504628313272	2.84135753749013	99.0182328190743	0.429284435725094	0.0742937823473078	0.547524218458205	3.87504176130533	80.9409796245696	7.22365902239902	8.04963594247224
"C11099073"	"11099-07-3"	"Glyceryl stearates"	"DSSTox_29304"	0	0	0	1.57926335847973	0.911627906976744	2.23992035838726	3.04924531178533	3.83281458425967	4.47855924471419	0.441826215022091	0.664451827242525	0.161427221497071	0.160870871736841	1.45409755207007	5.13560789562551	24.4326625154596	7.863544411694	8.18011006928979
"C111115"	"111-11-5"	"Methyl octanoate"	"DSSTox_26864"	0	0	0	-0.243281471004243	0.289199044385767	1.22164048865619	2.18202937028126	3.59667998770366	2.22639367878814	0.298953662182362	0.762388818297332	0.342030159233427	-0.00786040432485556	1.67443117534875	3.66859575056484	2.02080469692792	7.82864698361344	7.15498933320283
"C111148"	"111-14-8"	"Heptanoic acid"	"DSSTox_21600"	0	0	0	1.3152106976335	0.060766942783126	6.13938053097345	1.56750671170001	1.30191693290735	-0.391346407527922	-0.0752445447705041	0	0.402116503559212	-0.016473640152424	1.33817915604018	24.0119907519795	3.96625749142704	8.36248264298616	3.1846265099624
"C111159"	"111-15-9"	"2-Ethoxyethyl acetate"	"DSSTox_21928"	11.0827236783843	3.10640598515401	24.5419804428459	6.7997329303862	0.33799942603871	5.48899414878796	3.06459217350307	2.73895128060111	0.4019862851738	1.6366612111293	0.301204819277108	1.35104765217387	0.0811497086027181	0.220677813063102	5.23536875930563	13.1935746056042	1.2647043792353	1.31355435698298
"C1111780"	"1111-78-0"	"Ammonium carbamate"	"DSSTox_27360"	10.320566417021	0	0	0.140455734030632	0.561675257507174	2.87591197316575	0.463744968982649	-0.146540275678894	1.26136696978586	0.402314291787652	0	0.137132856257737	0.0681125074976056	1.55840634213471	1.6593288746042	13.371617332099	9.39475202276131	3.91983244881228
"C111206"	"111-20-6"	"Decanedioic acid"	"DSSTox_26867"	0	0	0	1.13642853063788	0.942442361223802	3.87974230493915	0.477514823949204	1.54047853162897	1.28179531206325	0.330578512396694	0.549073438572409	0.244964582212178	0.0623099017953396	0.61015107677118	10.1050739745238	35.5807188837387	0.447627112055546	4.518422186288
"C111217"	"111-21-7"	"Triethylene glycol diacetate"	"DSSTox_26223"	0	0	0	1.28429985855728	0.168175531246071	3.83944153577661	1.15323985729694	0.461112818936367	0.296852490505084	0.448430493273543	-0.127064803049555	0.681555214167868	0.130162330815504	2.10493793553604	4.24337761948539	2.74966060875323	3.61021516150807	10.3984094455129
"C1112396"	"1112-39-6"	"Dimethoxydimethylsilane"	"DSSTox_42379"	3.18270265794485	6.42227655719538	14.4976276862964	1.92457610602222	1.09909882892744	1.96243933319266	3.38156653035546	2.04848484848485	0.362807090287136	0.318471337579618	0.318268618714195	0.520998224139111	0.222392421336452	1.94388632198658	0.751339176863475	10.5930502291493	10.8387307557697	8.55407340009632
"C111273"	"111-27-3"	"1-Hexanol"	"DSSTox_21931"	0	0	0	2.09433618648698	0.807073226025845	2.4975024975025	2.55224391915039	0.48244884378639	0.672903331692106	-0.156494522691706	0.327868852459016	0.164456482449459	0.102911123610663	1.41370438594732	29.9952647697224	8.18097663573677	4.47887758248536	7.03558435618023
"C111308"	"111-30-8"	"Glutaraldehyde"	"DSSTox_25355"	32.3239809861371	0	0	6.62770752977778	8.78969042441434	3.0140221259477	28.2527271489974	0.282463575706177	8.26887601339287	0.0744601638123605	0.475866757307953	0.293047934986513	0.116340507682357	1.08471642953035	3.05387683776757	3.27651053205031	4.10548921204645	4.83091026681705
"C111400"	"111-40-0"	"Diethylenetriamine"	"DSSTox_25050"	0	0	0	2.22117425135581	0.685225990218735	1.49441165389929	0.616332819722651	1.33440085401655	1.86411400604577	50.46875	0.283687943262411	0.405142362805765	0.0553430338437798	0.887597865177608	5.77353225868446	11.7089807841806	2.40194291919492	9.44628849319584
"C111422"	"111-42-2"	"Diethanolamine"	"DSSTox_21932"	0	0	0	-0.797878420703688	106.866174612187	1.72699313934233	2.76356192425793	4.60836277974087	1.5864282439248	0.139275766016713	0.13869625520111	0.263702474862118	0.0810146883730655	1.27358818051779	15.3147800155724	10.3586863702928	5.37953510592068	7.17563896097809
"C111444"	"111-44-4"	"Bis(2-chloroethyl) ether"	"DSSTox_20168"	0	0	0	2.87685408761642	0.899115323025227	5.40609787343069	2.30381042931324	4.10234541577825	3.18324380835647	3.96039603960396	0.924702774108322	0.246182984671194	2.01829845417885	1.24203055649067	2.91633341090767	8.82473537892101	5.34179393708404	5.71855418141041
"C111466"	"111-46-6"	"Diethylene glycol"	"DSSTox_20462"	0	0	0	0.618418853418017	0.472345711297071	5.26875997871208	2.53914889852252	0.308166409861322	0.52494558490888	0.151057401812689	0	0.779474705866897	0.34978484566683	1.98550787358872	0.853494924047613	7.94989250869759	5.83958022950651	9.74961672672692
"C1114712"	"1114-71-2"	"Pebulate"	"DSSTox_21199"	-23.7673407989304	91.2372298199921	34.7037986132047	0.851647868240925	0.898222940226171	8.66736074960958	0.52947052947053	3.22019147084421	0.508620120219302	0	0.29585798816568	1.99133878937082	0.214486036323039	1.0762148943135	2.98432116513364	13.8101036622194	12.9102188230256	8.49350245259059
"C111499"	"111-49-9"	"Hexamethyleneimine"	"DSSTox_26879"	0	0	0	0.427568994087682	0.732816918726177	2.80489694715636	2.03020134228188	5.20338825281578	-0.0698412698412692	0.148148148148148	0.3003003003003	0.363831727948618	0.0738340750045752	0.904765625026204	20.3719640591585	27.7460684625092	1.98089911939265	9.06695161536979
"C111557"	"111-55-7"	"1,2-Ethanediol diacetate"	"DSSTox_26880"	0	0	0	2.18934911242604	0.325697087965699	6.32582322357019	0.323533549022365	2.04736063147509	1.43946344395583	0.305576776165011	0.141242937853107	0.260292755684353	0.129968581802133	0.749606061142614	6.01562584869778	0.967346524816411	1.40980797643425	3.51424267590135
"C111626"	"111-62-6"	"Ethyl oleate"	"DSSTox_47633"	0	0	0	2.03682520940187	0.683986665133924	-1.25106624964458	2.53885213109709	-0.846294602012808	0.745619015177321	0.290275761973875	1.22448979591837	0.774491605441695	0.361471719955263	1.25495524028219	0.999404215973469	3.46159939733415	9.49238050502169	2.6330021074979
"C111693"	"111-69-3"	"Hexanedinitrile"	"DSSTox_21936"	0	0	0	3.77221909434569	0.288420847032781	0.7001647446458	2.08738274317586	2.34487734487735	1.12070549329414	0.129366106080207	0.268456375838926	0.566759393026897	0.0407015519963134	1.61556224936462	7.12828993984216	17.7854270995667	2.16795728538859	9.08252571870408
"C111706"	"111-70-6"	"1-Heptanol"	"DSSTox_21937"	0	0	0	2.32742791920996	0.928847719869706	3.392	1.72553561088593	8.29458338569813	0.569631519610751	0.46875	0.334448160535117	2.5022485700771	2.50524422541722	0.464551988960557	5.88094080552144	17.7878431988913	5.38422036990921	8.28855991471186
"C111717"	"111-71-7"	"Heptanal"	"DSSTox_21597"	0	0	0	1.9576386931732	9.79184198409044	6.37510513036165	20.1816805450416	1.88476036618201	21.9535971924352	0.29585798816568	0.264900662251656	1.31138534792856	0.691147780493141	0.655327042359035	1.66142995462723	54.5182630954763	7.17216949312188	7.69527345958855
"C111762"	"111-76-2"	"2-Butoxyethanol"	"DSSTox_24097"	0	0	0	1.33333333333333	0.529674336728279	7.63525305410122	2.53049033435659	-0.230556409468185	3.38761077399921	1.34529147982063	0	0.182297427771766	0.564528280306885	1.57548742024376	4.57770489351768	19.6676121798568	9.43201000149905	6.49818044919516
"C111773"	"111-77-3"	"Diethylene glycol monomethyl ether"	"DSSTox_25049"	0	4.66069293337861	0	2.22794176787581	0.408216413294704	5.56013179571664	0.160567903321221	5.33910533910534	1.80415212199155	0	0.134228187919463	0.175632255548329	0.0644304299929994	0.18450410654208	0.0827580163421597	8.55738922070623	2.01266739218182	0.910234410790823
"C111812589"	"111812-58-9"	"Fenpyroximate (Z,E)"	"DSSTox_32550"	6.9627375873593	9.56825191901018	0	1.21373401700526	0.349656372185955	12.4924562462281	2.34842015371477	5.14734774066798	-1.6517736257785	2.88540807914262	1.5636105188344	0.797885560864244	0.485378929723616	9.74687583971489	0	63.8553838233752	47.2159160670432	110.396186238085
"C111820"	"111-82-0"	"Methyl dodecanoate"	"DSSTox_26889"	0	0	0	0.529503154824187	0.513947892219483	4.54848014200134	1.73238526179703	1.13410094364125	1.44716991674582	0.407497962510187	0.422535211267606	0.340885699865127	0.0411573247567575	0.975175942114025	3.47101753530302	12.3836001706489	8.19974656117746	2.52456661004842
"C111842"	"111-84-2"	"Nonane"	"DSSTox_25796"	0	0	0	0.740782788862714	0.349707323798899	4.0526994128598	1.21912769311613	2.27796263117482	0.899133562203695	0.177619893428064	0	0.127468456691342	0.727036843812686	1.31891517036222	4.60221567240578	25.8301976968094	2.61105931955814	7.53224140518415
"C1118463"	"1118-46-3"	"Butyltin trichloride"	"DSSTox_29210"	0	0	0	2.25426373271641	0.976228396154073	1.95729537366548	0.195739781232009	3.11935255755481	4.40474084556872	0.803858520900322	0.144508670520231	0.317606925869265	0.180679168702824	1.71221224685253	3.33449653164137	12.210879366789	5.86200434304665	4.62601053228861
"C111875"	"111-87-5"	"1-Octanol"	"DSSTox_21940"	0	0	0	1.85025073491267	0.187607998025179	3.60908955888906	1.58960703623013	1.78382197103497	0.67627824019025	0.31055900621118	0.321543408360129	0.889043630861623	0.3321369798474	1.83433264061828	8.13863334676009	5.70774133881937	4.75485551299632	6.50492716195618
"C1118929"	"1118-92-9"	"N,N-Dimethyloctanamide"	"DSSTox_27364"	0	0	0	0.748101193535492	0.156033503513874	1.76091624910522	-0.131185391194836	-1.21271714192068	0.850537076228886	0.330578512396694	0.137268359643102	0.458015647981708	0.0966883652806763	1.09198936901246	1.11305090896021	16.2678671187741	6.71995181350345	6.4446028261607
"C111900"	"111-90-0"	"2-(2-Ethoxyethoxy)ethanol"	"DSSTox_21941"	0	0	0	3.72458956751103	1.63155720776539	15.0124069478908	1.59962727131542	3.8802034281409	0.511280636260345	0.428571428571429	0.243605359317905	0.259144863938277	0.097651849508424	1.67834477298576	4.2512471005646	16.3121381154118	6.78976268901778	3.58809032157951
"C1119400"	"1119-40-0"	"Dimethyl glutarate"	"DSSTox_25122"	0	0	0	4.37573123850911	0.148731694560669	4.84300159659393	0.557374148456164	2.24961479198767	-0.00426785028381347	0.151057401812689	0.529100529100529	0.345309475511947	0.192207566175317	0.664465574699762	1.8202229846719	12.2510858009661	6.98852179860418	3.61200248007579
"C111966"	"111-96-6"	"Bis(2-methoxyethyl) ether"	"DSSTox_24621"	0	0	0	2.81329923273657	0.171415725285225	5.18072289156627	1.91723917558715	1.57949043574887	2.36507513114608	2.36220472440945	0	0.0347252501309126	-0.0127176429947353	2.3409037826752	2.94079379323986	18.8954524117754	2.50052760717281	7.28921064272284
"C111988499"	"111988-49-9"	"Thiacloprid"	"DSSTox_34961"	3.82070280325589	0.0520082959960781	0	1.74386246985344	0.406261849303938	1.71851207309115	0	3.22051954437433	1.43712574850299	0.956937799043062	0.380469245402663	0.366169320438768	0.192817268076973	2.42124595547872	4.22258560268706	8.53663641509901	3.56820175781159	5.90404603617965
"C111991094"	"111991-09-4"	"Nicosulfuron"	"DSSTox_34764"	0	0	0	1.20433916316139	1.13429734176119	12.6287134572139	3.92301160486838	2.33216724970848	4.91770573566085	0.15625	0.148588410104012	2.21613688492844	0.580540395767218	0.75964750351697	2.45791930558355	7.46114075046103	2.80033365203989	4.60939816240835
"C1120010"	"1120-01-0"	"Sodium hexyldecyl sulfate"	"DSSTox_42400"	0	0	112.533037116482	0.259222333000997	0.721829280108517	6.50612589776088	2.70146868579256	0.47934261584113	1.50280183392766	0.455927051671732	0.362976406533575	0.894244891400043	0.0270136590743797	1.44616676059628	3.11115786402451	3.90579366212006	6.54226004787587	8.08028546383152
"C1120043"	"1120-04-3"	"Octadecyl sulfate sodium salt"	"DSSTox_47103"	9.63131862905697	9.66333919678048	17.8586097755442	0.118367915332127	3.86824673980542	0.676246830092981	25.7955254479009	7.47716894977169	32.4546176704228	1.84049079754601	6.35379061371841	1.05685221167861	1.67933245131855	2.2034197550613	2.01767660176939	47.4605715391416	55.8680861928527	7.80375662835327
"C112005"	"112-00-5"	"Dodecyltrimethylammonium chloride"	"DSSTox_26900"	1.50524391417301	10.6261765306629	29.5443645083933	2.63189665580104	0.40955832523056	7.30419477852743	1.02161373271249	2.99264963248162	-0.335753176043557	6.40394088669951	8.28690807799443	0.419868124416502	0.0627982342143514	2.56669918806764	3.08114208641812	81.9312004855484	61.5363210582047	107.283787865371
"C1120214"	"1120-21-4"	"Undecane"	"DSSTox_21689"	0	0	0	0.27761183540078	0.124358279391601	6.54778489830036	2.16878830740217	5.09816595297729	1.39512887207378	0.981996726677578	0.150602409638554	0.0536923050235405	0.110259508148916	1.31623069055593	2.04737864545978	15.6955974054437	2.66989856835709	7.83927066915644
"C112050"	"112-05-0"	"Nonanoic acid"	"DSSTox_21641"	0	0	0	1.83396787074009	-0.0634788293366938	-0.661116552399611	3.38541666666667	3.43516823877235	1.37857900318134	0	0.412087912087912	0.836501267717124	0.593462856158822	3.21442115446284	1.80999433122559	14.9293030069665	7.00860576442415	6.50962708444755
"C1120714"	"1120-71-4"	"1,3-Propane sultone"	"DSSTox_21195"	0	0	0	0.708853282138375	2.05196136014296	13.8809034907598	11.1437428618045	4.50859841397131	23.7984100357377	0.84985835694051	3.41085271317829	0.159382623810652	0	1.12808875831565	4.50195935647322	14.5594260368441	5.03543129266092	12.9297194055975
"C112072"	"112-07-2"	"2-Butoxyethyl acetate"	"DSSTox_26904"	0	0	0	2.12694850922633	2.45852537379121	2.98790609437989	3.19594228591126	0.182865502422968	1.32611066164832	0.933852140077821	1.82841068917018	0.205815869892291	0.102333583227824	2.7030587820969	6.72209541045967	20.1718459214029	4.1231135014469	2.6185628930741
"C112129"	"112-12-9"	"2-Undecanone"	"DSSTox_21943"	0	0	0	76.0255334820058	9.39602918830464	9.86189457304027	7.62047690511923	0.449723247232473	1.34594991434864	0.625	3.34779913205208	0.359356529233439	0.628290977647157	0.608171459260851	1.13745853291736	6.64694024070929	6.88146998760664	4.90216234481705
"C112141"	"112-14-1"	"Octyl acetate"	"DSSTox_44202"	0	0	0	0.0558432328155143	3.74163706946395	-3.63375076986245	2.8343023255814	-0.16226582091754	2.97402772170637	0.150262960180316	0.303030303030303	0.139363155263427	0.107041510516989	1.27283430937526	19.945693704198	15.6263853785777	5.64367148221494	12.2233530527714
"C112185"	"112-18-5"	"N,N-Dimethyldodecan-1-amine"	"DSSTox_26906"	0	0	0	20.5531179364446	1.81132490984667	18.4505606523955	49.4305506633791	40.3960396039604	16.2915932586511	3.15789473684211	0.152671755725191	1.04756799661465	0.0215477806683615	0.572783542500774	2.41213159185755	16.9520435012838	1.38221112429939	9.2839183024743
"C112226616"	"112226-61-6"	"Halofenozide"	"DSSTox_32619"	0	0	0	4.71132431043344	3.62871515771866	4.82462419470293	4.86435430550454	4.14071888998143	7.45517709539592	1.98347107438017	11.1187371310913	0.510511493490202	0.0830684619621486	4.7665276798866	5.53160442498577	31.8323589270523	2.35350971721684	12.0729428647853
"C112254"	"112-25-4"	"2-(Hexyloxy)ethanol"	"DSSTox_26908"	0	0	0	1.72400980902133	0.646964907443623	6.32768361581921	1.32199458832625	1.48267069600529	0.759833134684148	0.215982721382289	0.273972602739726	0.635836913862032	0.363649719413064	0.718210381777577	5.35998401305039	12.9024919293618	5.24364537680405	2.03951187646974
"C112276"	"112-27-6"	"Triethylene glycol"	"DSSTox_21393"	0	0	24.2592001135597	2.17984450638111	3.68747663551402	10.2613955497948	8.39018339682821	10.183048761729	3.34649517182064	0.687757909215956	0.148148148148148	-0.172046612178916	0.118842049280853	1.75713159252097	8.89226722685833	8.22556367650202	3.21367248214455	5.1889009684365
"C112281773"	"112281-77-3"	"Tetraconazole"	"DSSTox_34956"	0	0	2.23976347205177	2.233636492154	0.623087342597702	3.04483337329178	0.756403644490288	2.56041426927503	2.48392617604885	79.2227204783259	0.557880055788006	1.7687994609871	0.394922675268434	1.06298437058483	1.26092458205425	21.9805882918943	78.7148905233993	70.3534537570833
"C112301"	"112-30-1"	"1-Decanol"	"DSSTox_21946"	0	1.89758871949557	0	3.11322339838218	0.385023659164103	6.01998537655374	0.650796369241307	0.0799360511590718	2.27189446683767	0.298507462686567	2.47933884297521	0.971970072268821	0.319038557983721	1.1661097742545	22.5292520015976	32.0376067116507	4.60127228243188	6.46006698953497
"C112312"	"112-31-2"	"Decanal"	"DSSTox_21553"	6.10011574377157	2.97036936874062	15.7182682846835	0.480434479877455	0.240633409232043	6.53705269089884	4.70630180943043	0.818112633181127	4.3043337550384	-0.0876424189307625	0.144404332129964	0.0738607515390547	0.28702988690277	1.66589616392354	1.65411511399465	4.83217796260628	34.3919143618323	2.64056528267545
"C112345"	"112-34-5"	"2-(2-Butoxyethoxy)ethanol"	"DSSTox_21519"	0	0	0	4.60264544574685	1.38751055580554	5.87544065804935	2.48175182481752	2.36612702366127	2.01205832865956	0.56980056980057	0.289435600578871	0.278602034794776	0.0184327180969825	1.32886525345305	1.96582481756952	23.9674174023875	2.84656988329064	4.64639619545576
"C112356"	"112-35-6"	"2-[2-(2-Methoxyethoxy)ethoxy]ethanol"	"DSSTox_26912"	0	0	0	1.61476355247982	0.841079120380866	-1.69830169830169	2.41521068859198	-0.0166361670271188	4.63920345751956	0.156494522691706	0	0.0804616978886558	0.0229424229659388	0.467391659203721	4.03199068447091	12.084850263249	7.82852136337078	1.76873232613373
"C112389"	"112-38-9"	"10-Undecenoic acid"	"DSSTox_35001"	7.77606538507591	16.7285955791988	21.0046721742628	0.133701755949728	0.464170461075991	5.44526375496313	9.99633833760527	0.190809349658137	1.59975622762246	-0.624512099921936	0	0.285925057348275	0.336093996892501	1.33600476408066	1.58319592192807	4.11381257105509	38.7694889678544	6.87370036111138
"C112410238"	"112410-23-8"	"Tebufenozide"	"DSSTox_34948"	14.1148612410848	3.28624915211087	0	1.34591050270332	0.373660462492949	6.22222222222222	1.87032418952619	2.16123986918811	2.50460110426502	1.00853374709077	0.295420974889217	0.483987222924638	0.238405445531697	0.65801104753097	3.1322665311731	8.09491977876664	52.9644126813066	18.5629531112682
"C112425"	"112-42-5"	"1-Undecanol"	"DSSTox_26915"	2.63185539093625	15.0827443158361	18.8729683490163	2.73115654562099	0.473452136630565	9.99299556385711	16.8865876064807	13.8898949655922	19.2792162351295	1.86046511627907	0.666666666666667	0.431995946727779	0.12604622234327	3.45176339681345	2.30004950484852	0.532341096092415	12.2026111283891	17.4869551561579
"C112492"	"112-49-2"	"Triethylene glycol dimethyl ether"	"DSSTox_26224"	0	0	0	1.38682344803735	0.647988151073809	5.00519827714244	1.21842975873477	5.91663723066054	2.20719381688466	1.24223602484472	0.192926045016077	0.582154592809032	0.280384564306221	0.62569601387466	2.00122344893574	12.5537239256883	2.24388121486011	3.60580182037101
"C112505"	"112-50-5"	"2-[2-(2-Ethoxyethoxy)ethoxy]ethanol"	"DSSTox_24368"	0	0	0	-0.252464118969394	0.116020735620834	7.85682459527699	2.08988945372388	2.24302366654892	0.0891795481569561	0.77639751552795	0.192926045016077	0.282438480375574	0.223976289162411	2.10034716121421	2.0127868843638	14.0530848624651	4.33554668762226	6.36926449398268
"C112529154"	"112529-15-4"	"Pioglitazone hydrochloride"	"DSSTox_44203"	0	0	0	158.080612854482	31.2266828226141	17.5257731958763	6.6006600660066	7.8775147450917	3.05982501773469	0	0.150602409638554	0.638833331072604	0.834380035376605	4.42885871979953	3.63786724823256	19.96629776263	21.8446353722995	25.8916026493071
"C112538"	"112-53-8"	"1-Dodecanol"	"DSSTox_26918"	0	0	0	3.24576271186441	0.591494759329728	10.0020708221164	2.98904538341158	3.21698715027796	1.75196778990896	0.741839762611276	0.27972027972028	0.210858940820934	0.0479970798680557	0.913359861915432	3.51660494101614	6.20964651740021	9.59643931418884	4.03839361113229
"C112550"	"112-55-0"	"1-Dodecanethiol"	"DSSTox_25220"	0	0	0	2.80603620493592	1.5472301756933	9.64858825919155	0.995537246824581	3.87584928968499	1.60570127450691	0.394011032308905	0.449438202247191	0.722299364153126	0.307564806349289	0.71934796718119	3.66208648185639	2.82396271185182	3.14245392944542	9.09856739479723
"C112607"	"112-60-7"	"Tetraethylene glycol"	"DSSTox_26922"	0	0	0	0.419369437320862	0.460786703343895	0.81599347205222	1.02389078498294	0.786665628164187	5.15739683575273	0.138312586445367	0.152788388082506	-0.089140739965708	0	1.59875702451511	8.2877189846871	16.4294220013386	4.10107011610931	6.00013853205538
"C112630"	"112-63-0"	"Methyl linoleate"	"DSSTox_20843"	23.726868455028	34.413973860578	12.4197599776723	0.488378402821742	0.0915387666676838	-1.19339545528854	2.23472179993919	0.703504732668201	10.232837329795	1.10497237569061	10.7994389901823	0.269378968166224	0.158147833665965	0.879503327673612	2.1231314808075	6.53112736979788	53.0368651503381	4.65048999853668
"C112709"	"112-70-9"	"1-Tridecanol"	"DSSTox_21947"	0	8.37479928213847	0	5.3672578698115	0.252967872132794	8.10479921645445	1.66015625	3.33661833028298	1.3324726820047	0.557103064066852	0.412087912087912	1.62681836416339	0.24925902718913	1.78244486678494	35.4415361190023	16.5804517469773	6.100092393744	4.01960502938867
"C112721"	"112-72-1"	"1-Tetradecanol"	"DSSTox_26926"	0	0	0	4.23514538558786	1.08809998586883	10.5922908179254	3.40969632392115	2.59912730032252	0.459003720345943	1.75131348511384	0.858369098712446	0.779855023323773	0.118814653112201	3.74196212999971	3.55334028200231	11.3994964126694	8.61798239378606	7.53614931621772
"C112733069"	"112733-06-9"	"Zenarestat"	"DSSTox_47296"	0	0	0	3.11669037165296	0.381499222298745	4.37241679356102	2.15816480531241	0.254035892813244	1.3601368691189	0.797448165869218	0.253646163601775	0.925999418556223	0.263034405833794	1.840486289086	3.61342005172063	6.64609761614069	6.64768732544915	8.72106895902559
"C112801"	"112-80-1"	"Oleic acid"	"DSSTox_25809"	1.6677783612203	11.6952416809059	75.187852222918	0.169954924998154	0.531166791834505	5.74686688494976	1.80402038829391	2.81775488562339	1.08286092535388	0	0.440205429200293	0.28775784963835	0.165586065717973	0.961441985595856	10.3641526376123	2.82611006097403	9.88752334778749	13.4980268339182
"C112809515"	"112809-51-5"	"Letrozole"	"DSSTox_23202"	5.8068380882374	23.2091151806866	12.8749132591431	1.10010249402118	0.208075663877774	4.55106720762039	1.67814113597246	0.885928164274432	1.13012980005396	5.99001663893511	0.212615166548547	0.605983735954675	0.119976707597671	0.732574878551159	2.39031722625112	7.50631416597041	1.74413318805139	6.93518334066439
"C113136779"	"113136-77-9"	"Cyclanilide"	"DSSTox_32600"	0	0	0	0.462091391408524	0.227980952124	0.11091393078971	0.300740849409521	-0.780089153046063	0.293904672658346	0.952380952380952	0.13840830449827	0.25758318762268	0.380179677938683	1.7016058898797	5.55782179098537	16.1703424998875	69.3747598807444	5.72524565083276
"C1134232"	"1134-23-2"	"Cycloate"	"DSSTox_32356"	0	0	0	0.653234692271368	0.57649063032368	6.18473895582329	3.98062660814288	3.02801622488445	0.190283872470972	0.139762403913347	0.277585010409438	1.26764700835328	0.516202829983211	1.24521389256695	6.32081019332146	14.3902805991475	3.46316716808146	7.85908563797035
"C113484"	"113-48-4"	"MGK-264"	"DSSTox_32562"	4.36136120984858	2.10286828825979	0	4.15691091237094	0.323027813457797	7.32793522267206	6.60112359550562	19.9660297239915	2.50725392455918	3.1657355679702	0.529801324503311	1.617161191173	0.161135191634687	1.73027434040492	4.54422189925165	5.74143476896323	31.5714127512859	24.1394504844311
"C113734182"	"113734-18-2"	"CP-114271"	"DSSTox_47274"	0	0	0	0.342700479780672	0.705236030308174	1.89559638378536	1.22190375622266	1.72663094326784	1.23939986953686	1.44927536231884	0.412087912087912	0.37851162325373	0	1.20437636050302	5.29987543695174	6.68442848844733	6.43576429845683	11.1788433475016
"C114078"	"114-07-8"	"Erythromycin"	"DSSTox_22991"	0	0	0	1.70940170940171	0.341164396860178	11.3669914378506	1.72776442307692	3.48683242607033	2.1505376344086	2.20820189274448	0.969529085872576	0.170244187337369	0.0071141016366707	0.22510023327588	3.00600348930131	9.42433329801997	5.86772182458447	6.94212621012859
"C114261"	"114-26-1"	"Propoxur"	"DSSTox_21948"	7.15382441315499	0.526258186934396	0	0.500674424453031	0.175820955660153	-1.53773361722262	0.73353804162402	-0.58892815076561	-0.36680421824851	0.139275766016713	0.277392510402219	0.271474090395607	0.375852614830879	2.20538515156995	4.09299391441323	15.6793324003189	1.57591615419933	8.0501346671857
"C114311329"	"114311-32-9"	"Imazamox"	"DSSTox_34664"	0	0	0	0.665818075002448	0.915109334732489	8.36978710994459	2.15718811283753	5.53712681806583	1.45373217780263	3.38164251207729	0.686813186813187	0.175871844538932	0.143782980240967	2.34155980289977	1.96515466678299	14.3577168346815	7.68679117219963	5.49386818007639
"C1143380"	"1143-38-0"	"Anthralin"	"DSSTox_24538"	31.7647476543707	31.1579540540186	0	1.60430053336693	0.114530669677187	14.5780051150895	2.08600045184125	5.76407506702413	3.54604232761737	-0.293255131964809	0.138312586445367	0.281878942448347	0.0393586582217155	2.08559778436674	1.39764375899991	2.8790466722726	6.50235182687915	13.0906939986914
"C114369436"	"114369-43-6"	"Fenbuconazole"	"DSSTox_32548"	0	0	0	1.48787891743982	0.0301681876461272	-0.0935453695042096	1.52034449424378	3.28542094455852	2.16350416740557	12.4816446402349	7.14285714285714	1.07451340707648	0.531975030870785	2.54313721523355	3.49362083396829	50.4499304930195	79.7819242792345	71.7190575934361
"C115286"	"115-28-6"	"Chlorendic acid"	"DSSTox_20268"	0	0	0	3.66352084417032	0.0352656788001973	7.11864406779661	0.889060688055661	4.69354991028426	-0.126638855780691	0.503959683225342	0	0.236861376488365	0.105531323675255	0.878727679008767	2.12378548415709	15.0372380711579	8.04625908530738	2.021045801247
"C115297"	"115-29-7"	"Endosulfan"	"DSSTox_20560"	5.51107633160652	9.408261382622	0	1.89873417721519	0.141292829388908	14.8243359040274	1.95168554660844	23.6376318772343	8.69493072264166	13.2758620689655	1.27118644067797	2.45439708491574	0.824090920480414	7.16140493809454	28.0361391322105	4.86197695101519	27.9308647753919	47.2675005107001
"C115322"	"115-32-2"	"Dicofol"	"DSSTox_20450"	8.04544390440078	6.80804343315581	10.4763072396248	20.5847457627119	5.33947526537152	44.3363015117001	47.2769953051643	33.4183905950971	24.3280496209511	1.48367952522255	2.51748251748252	0.970073619090374	0.452717261713887	16.1253648023276	4.29722419444404	28.3991155423433	53.579010327343	63.0271229714435
"C115399"	"115-39-9"	"Bromophenol blue"	"DSSTox_41682"	6.38098389587471	5.49707138452249	19.9364395510877	10.9161015822364	3.30332810306384	29.6126401630989	9.08770693906305	32.3019801980198	6.62500415517069	-1.92982456140351	0.152671755725191	0.383342905228443	0.459467286973812	2.37333081004659	7.8512131404872	16.3883074685492	-1.52752172767977	91.0043243557965
"C1156190"	"1156-19-0"	"Tolazamide"	"DSSTox_21358"	0	0	0	1.1269820469139	-0.0988623863430663	0.290191526407429	0.594364030487378	1.96498749553412	0.138408304498272	1.27186009538951	0.263852242744063	0.442745664572061	0.131476277284028	2.11054985133262	43.1184670230661	20.6697851037039	4.72247874686045	7.66450094546027
"C115775"	"115-77-5"	"Pentaerythritol"	"DSSTox_26943"	10.860425281589	85.4173044800008	0	0.602242391884677	0.0691978433445321	0.721129851046909	2.03886311532908	1.82777262509995	1.98543312993898	0.53680981595092	0.257098737366083	0.640346129572202	0.593682485347378	0.762945177997023	2.87473301495038	24.9800047769036	10.2125639487758	6.36956537205499
"C115866"	"115-86-6"	"Triphenyl phosphate"	"DSSTox_21952"	0	4.40375307951705	0	52.0952881735671	4.77097489056977	69.671161580317	25.093824633231	41.9464075382803	10.1146263182027	69.2200557103064	90.2912621359223	1.04442873337832	0.781688755475373	3.58484541767372	30.5045040400911	15.5633712581314	5.33040013514067	7.93403410514016
"C115957"	"115-95-7"	"Linalyl acetate"	"DSSTox_26946"	57.4032351242057	91.0498565546131	15.3636526090064	3.10569935422569	-0.316639741518578	-0.0780843310775667	4.52547452547453	0.696257615317668	-0.284034612589999	0.165289256198347	0.29585798816568	0.634038718342945	0.155454518633979	0.229587624681663	4.71892933986426	2.75589810446294	3.56233585658327	1.99623463993883
"C115968"	"115-96-8"	"Tris(2-chloroethyl) phosphate"	"DSSTox_21411"	0	0	0	0.847142750984618	0.122468084560686	3.50282485875706	4.29068419018168	7.14892813296817	1.03545887961859	0.215982721382289	0.136986301369863	0.394364510750667	0.0845219085547527	2.41397934759018	8.29727663782301	15.9694860331547	6.3783295811466	7.30859783552224
"C116029"	"116-02-9"	"3,3,5-Trimethylcyclohexanol"	"DSSTox_41815"	0	0	0	0.901276808812484	0.958719818735396	2.35759261971006	0.887304088232855	1.58909616230136	0.872552006869616	0.155038759689922	0.306748466257669	0.417633352647913	0.0787455013681825	1.08069233057754	1.5809404082652	31.9288797831185	2.03775553734756	5.08547651030707
"C116063"	"116-06-3"	"Aldicarb"	"DSSTox_39223"	2.0049974324912	0.757880341880343	0	1.35168346030966	1.07094420801571	3.30559408229311	1.70878805284319	2.80742078476441	1.01211879078439	0.887573964497041	0.27972027972028	0.520859967590356	0.148571543783015	2.00217179526086	12.7519312949548	11.1127526357697	5.40354649468256	14.6786673112257
"C116255482"	"116255-48-2"	"Bromuconazole"	"DSSTox_32531"	3.71709983741369	26.7246293823588	12.1188747731397	4.39687813924735	0.623125884805315	13.3637053910402	9.38218611068527	7.75928297055058	4.2478129929729	1.70212765957447	10.3859649122807	1.8625489528358	0.868286493390612	5.66274070871779	1.05027479751383	28.7339943490564	24.1291356945052	48.6446259992754
"C116256"	"116-25-6"	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	"DSSTox_35152"	0	5.1799376593936	0	2.00666524852868	3.47740358532502	7.56608933454877	21.6045936677566	2.93744333635539	41.9228745395775	0.418994413407821	1.4265335235378	2.19856829020781	0.824000484148004	0.724989996718428	38.8725949493722	6.639469700407	8.49801395621114	6.2603988911569
"C1166525"	"1166-52-5"	"Dodecyl gallate"	"DSSTox_48189"	5.01266040084116	1.99648086183967	55.4714384033035	18.4010932695593	3.67115314659876	56.4826248015523	4.30292598967298	11.6544193393311	2.48508648340778	45.0915141430948	8.29199149539334	1.73752898904302	0.198143955097813	59.0113893869383	0.765069847754434	2.31725925617134	63.1810367950251	90.499543174913
"C116714466"	"116714-46-6"	"Novaluron"	"DSSTox_34773"	4.88120919497107	12.6491176324573	0	0.186683260734287	0.729992790194665	6.03762987924741	-0.0231857175979605	-0.429922613929494	1.5704450344238	4.94773519163763	0.594353640416048	0.397572471107157	0.264123643364493	11.7726833392458	7.86938675344209	16.6967701001787	4.19200525620748	6.05249414404314
"C117088"	"117-08-8"	"Tetrachlorophthalic anhydride"	"DSSTox_26102"	0	0	0	0.893162956132262	0.240893495875611	4.38076416337286	2.08084824387011	1.86201035308661	2.05766887775822	0.152671755725191	0.518134715025907	0.0435707908166968	0.158189938866554	0.559256565888834	5.42534857913796	23.2820880539605	24.1802087563022	7.40431324108463
"C117337196"	"117337-19-6"	"Fluthiacet-methyl"	"DSSTox_32556"	0	0	0	1.54419930018648	0.698880166430998	1.08073744437381	0.866598430569771	0.609665427509293	0.245226130653266	0.448430493273543	0.571428571428571	0.325099794996698	0.594003060041816	0.584468322225282	2.0067889743433	14.9906950339925	5.42451189051439	5.10296217189055
"C117395"	"117-39-5"	"Quercetin"	"DSSTox_21218"	1.75400869009021	11.844218927292	12.3603861480608	0.280999528524281	0.366214007292846	14.4415357766143	42.7860283746785	3.41223486012911	62.9851137206967	28.2511210762332	1.01651842439644	4.29498102754518	2.85279073638926	43.7703451783972	62.3369847166823	62.5004533312276	34.1755484344167	5.68749969100653
"C117428225"	"117428-22-5"	"Picoxystrobin"	"DSSTox_47542"	7.79189103700061	1.84521734755846	14.0117496117226	6.51887041435735	0.315028624428311	17.8097345132743	0.164544903438124	11.7492012779553	-1.43786826136663	6.54627539503386	2.07900207900208	0.648281428242541	0.0487877658811421	14.6840254395653	1.92433254811396	58.8662254473311	62.7039461206651	108.605807042203
"C117718602"	"117718-60-2"	"Thiazopyr"	"DSSTox_32488"	0	0	0	14.5155858249448	1.85044768895701	29.9062918340027	12.0381406436234	22.176365387261	8.47776940467219	15.8478605388273	5.51236749116608	3.8377937909217	0.624971046007545	1.6785039200104	9.97115632626487	27.7024125917002	1.42838960179537	8.82512244146591
"C117793"	"117-79-3"	"2-Aminoanthraquinone"	"DSSTox_20068"	4.65900755843371	6.07518654954189	15.5615446041524	-1.1724018675428	0.568995309800049	5.74780929748997	0.702009198741226	-0.194277640409751	0.230380499405469	3.41614906832298	2.76527331189711	3.35781625867889	1.59663249390579	0.877110114343008	43.0907944873469	14.6144949822915	1.98499871146146	8.77515296441171
"C117806"	"117-80-6"	"Dichlone"	"DSSTox_20425"	0	0	0	2.41552121436744	6.78603560419463	5.7846246790515	4.53936597707992	3.24909747292419	1.94317877244707	19.9701937406855	3.91061452513966	0.715245165057475	0.794462421458888	12.4796287706771	13.8650785574489	14.672109685378	132.385056637869	105.832201694536
"C117817"	"117-81-7"	"Di(2-ethylhexyl) phthalate"	"DSSTox_20607"	19.406682779558	14.387059673772	0	12.8338055337875	4.93458499001864	48.7769784172662	8.43647961120814	15.1669496321449	8.54455678344698	9.3841642228739	6.10361958836054	0.333568414222953	0.232052431360069	0.118258913368711	1.54950575118448	33.8665277740843	18.2061361801346	5.11277414120621
"C117840"	"117-84-0"	"Dioctyl phthalate"	"DSSTox_21956"	6.35436456354365	5.84031965942827	21.9310106734946	1.38619351261436	2.23138127277442	10.6339984844658	3.61175305381314	1.78958785249458	3.30464436505359	0.521739130434783	0.451807228915663	0.224349281644456	0.0968998766837533	2.31239764382125	2.24759233512956	33.3935783410991	16.2872189869006	4.32318159886722
"C117997"	"117-99-7"	"2-Hydroxybenzophenone"	"DSSTox_47879"	0	0	0	13.6074746048129	0.820708722537656	62.9471109752369	38.8095510110819	34.2828077314344	15.8873569961866	0.0741289844329133	0.429491768074445	2.05641537229171	1.36668363649386	1.41099367578299	3.68535868318426	12.2578586245854	5.06702119032943	5.71496062248799
"C118134308"	"118134-30-8"	"Spiroxamine"	"DSSTox_34212"	4.04021880914405	10.5465839351359	0	2.62327049865354	2.35629624716951	-0.0734573947110704	11.181640625	4.32211741517668	4.31094103001522	5.15320334261838	2.1978021978022	0.683730772846505	0.404371933862725	0.478960175574659	3.09083537649965	15.1655740368411	3.22034942204026	10.1800552559967
"C118478"	"118-47-8"	"1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-"	"DSSTox_41273"	0	0	0	1.83784264862941	0.973592958122166	2.46961975695806	0.322525886946189	3.74544249254226	0.0967929276634195	0	0.134770889487871	0.161435640199483	0.24327115101237	1.4553345960678	5.07947622783486	18.8803504911238	4.8138410404647	6.19977561800147
"C118525"	"118-52-5"	"1,3-Dichloro-5,5-dimethylhydantoin"	"DSSTox_24985"	0	0	0	2.54237288135593	0.361839909206222	0.973286394698689	1.25195618153365	0.93866763874966	0.656534513402735	1.3353115727003	0.13986013986014	0.399340298232003	0.125927281328246	2.77034951455212	4.7215825954545	26.4275228586157	6.11456018064701	3.21732726577038
"C118558"	"118-55-8"	"Phenyl salicylate"	"DSSTox_21957"	0	0	0	6.4620085459884	0.328862916732888	42.4709509129713	5.95361205495642	31.8368839718387	3.63361356361462	0.155642023346304	0.421940928270042	0.59071063744539	0.19098394357248	0.944607554415157	21.1044863700893	5.29894708007425	2.56780312317067	9.40888274122229
"C118569"	"118-56-9"	"3,3,5-Trimethylcyclohexyl salicylate"	"DSSTox_26241"	0	0	0	50.6409060626249	1.3540271721091	154.801110083256	8.16153192803644	70.7832854001015	19.7486591983752	1.92450037009623	3.43511450381679	2.61528269942811	1.5594608441921	2.33649220812706	5.87396741141351	12.0549299912114	3.46225013695701	10.4587959744222
"C118581"	"118-58-1"	"Benzyl salicylate"	"DSSTox_24598"	0	0	0	24.7920046046779	8.51585121389858	113.857853722655	67.1601310882586	44.1149667017175	24.1691468253968	0.161030595813205	0.693481276005548	1.44829459532119	1.4221752709441	0.688777322126223	21.0991633667655	6.98483005862121	7.11822575945852	5.76126972128111
"C118718"	"118-71-8"	"Maltol"	"DSSTox_25523"	0	30.017461505656	0	1.57027010296515	0.144774828026351	0.82527705729781	0.107211779000787	1.42375679207648	2.46528063111184	4.30769230769231	0.141643059490085	0.40708516945224	0.0596214420706026	1.91369846889413	1.93794994627114	18.1411208400182	1.63705545833207	6.92122009959133
"C118796"	"118-79-6"	"2,4,6-Tribromophenol"	"DSSTox_21959"	11.0981408805752	6.37036676640637	13.22501467371	0.745396671904589	0.241876792670919	1.10450297366185	0.550925271931064	2.37701218594855	1.46828135784652	0.417246175243394	0.464756003098373	1.21159773232622	0.703406636822136	0.169109068979211	16.4491974181784	0.53435552187955	83.6332851611709	9.38323611395469
"C118821"	"118-82-1"	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	"DSSTox_22411"	9.27908132442072	7.39904818117109	5.19799486120207	0.425919599134495	0.440887595489269	4.39230904921503	1.17254733218589	1.46281162008104	0.0809376779879497	0.998336106489185	0.354358610914245	0.0635737157828167	0.0266842632526403	0.531696652824516	26.8983582304538	5.46735269768197	12.1520884104727	3.03640661217279
"C1189088"	"1189-08-8"	"1,3-Butyleneglycol dimethacrylate"	"DSSTox_44784"	0	0	0	10.0677906302765	0.556050305176046	6.74867589270459	0.578034682080924	2.13010938399539	1.36901315245264	0.285306704707561	0.316957210776545	0.405009690498128	0.126785945269487	1.21075661566214	4.04766627397186	43.4501243008079	4.57895105255326	5.3592232713533
"C118934"	"118-93-4"	"2-Hydroxyacetophenone"	"DSSTox_40285"	0	0	0	1.3317043372022	0.919117647058824	1.01719544683943	2.08145701991394	1.99534082852224	2.67475527367986	4.85436893203883	0.182592818015825	0.288082999262675	0.139683736635345	0.977285595208235	13.3309327814238	13.5300808917527	4.56608740917773	13.3093380184326
"C119073"	"119-07-3"	"Octyl decyl phthalate"	"DSSTox_47497"	0	0	0	2.64240910510033	1.7485366189945	1.76142059286839	3.62585391487126	2.58510366009726	0.294261893084846	11.5452930728242	8.44865258557902	0.316367529348796	0.0898527550607801	1.31218480742882	4.22382090666768	30.759767670549	18.0593350026678	7.83911187014978
"C1191500"	"1191-50-0"	"Sodium myristyl sulfate"	"DSSTox_42416"	0	0	0	3.04416606096883	0.124443774040275	-2.9466791393826	0.905176201775198	-2.18539161044294	-0.0886682035821975	0.734214390602056	0.140056022408964	0.183625072618274	0.234167594819595	4.82526205683229	4.34796889526704	5.60092603455682	21.5995424473959	8.22979245814356
"C119168773"	"119168-77-3"	"Tebufenpyrad"	"DSSTox_34223"	0	0	5.06805757001004	1.59692331202404	0	0.636104408861596	0	1.57050752190445	0	1.7921146953405	1.37551581843191	0.410224500516709	0.164887066951775	16.4931696191056	0	39.0862511223581	60.5043711050753	109.070318824598
"C1192525"	"1192-52-5"	"4,5-Dichloro-3H-1,2-dithiol-3-one"	"DSSTox_32518"	0	0	0	1.25576957788608	13.4767504008552	0.3125	30.1604373935646	0.360283988555685	6.83909815594102	12.1100917431193	3.95894428152493	0.275236080101418	0	12.6655572874719	1.59544357149186	18.3489243771254	18.3860170481678	11.960998089767
"C119368"	"119-36-8"	"Methyl salicylate"	"DSSTox_25659"	0	0	0	0.316055625790138	0.607640251848828	12.8486367909746	2.21985437755283	-1.70745589072282	1.23206261777069	1.40105078809107	2.43204577968526	1.68775512165813	0.0957111995797577	1.65653555741213	4.4022027418807	1.11058330854562	10.1743767342928	6.80054716684048
"C119446683"	"119446-68-3"	"Difenoconazole"	"DSSTox_32372"	0	0	0	0.82233334123279	0.23891079704096	3.84858044164038	0.0302617642608564	0.116867939228669	-0.0627322298894943	6.60522273425499	0.700280112044818	0.88330768176405	0.537104591542824	9.06305799476479	1.6331783930286	20.8058106340624	97.9870122067121	110.353211408231
"C1194656"	"1194-65-6"	"Dichlobenil"	"DSSTox_32365"	5.42935273635429	4.60348391319688	0	6.68145273080122	0.757441349473886	11.3412477898459	0.759326510399472	2.15112075198843	2.11919454368302	0	0.451807228915663	1.07929846774632	0.419851071564293	1.71713841407271	3.06092160599381	6.47790049989125	6.03905371382696	7.83071529037586
"C119471"	"119-47-1"	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	"DSSTox_20870"	11.1804590117581	14.9877443423568	10.4541657173236	2.11325782811459	0.312467808948254	4.08880666049954	1.73731758165393	0.270681779732702	1.85014756751611	5.47742413027387	1.78117048346056	1.31781148662895	0.502547304022764	140.939928225423	10.4956923993045	8.39574739407072	74.6779221249982	102.848257918033
"C119515387"	"119515-38-7"	"Icaridin"	"DSSTox_34227"	0	0	0	0.687975246058132	2.57026297322692	2.4602026049204	0.992669517409895	0.0624804748516089	0.252353294612456	1.43540669856459	0.281293952180028	0.30320964977679	0.248395107850113	1.73220740824542	5.25860205128499	5.97941826984468	5.61260055974297	10.6071873771581
"C119539"	"119-53-9"	"Benzoin"	"DSSTox_20144"	0	0	0	1.3139192234356	0.163982902766203	6.7730380983393	5.31504500642949	8.04935745796305	3.61066495342114	0.148478099480327	0	0.380433464640763	0.301325694512993	0.854440656580748	11.461485528231	19.295156839646	3.3141303627276	2.58549923510685
"C119619"	"119-61-9"	"Benzophenone"	"DSSTox_21961"	6.04058873762998	6.41228625712476	31.586190625983	20.3605453819385	0.808050830309326	55.0133096716948	26.4431893200323	41.2890044576523	17.08480640627	0.476190476190476	0.55363321799308	3.64211025794277	1.61866171744036	10.87134931008	66.4332917754964	6.51363140945519	1.92025052556891	3.25610963280849
"C119642"	"119-64-2"	"Tetralin"	"DSSTox_26118"	0	0	0	-0.298324120382556	0.137462828928912	4.49622579586479	1.19266055045872	-0.594353640416048	1.88361184403401	0	0.285510349750178	0.00389793311811062	0.0350943125063195	0.837507885085704	3.51782816301468	15.7920305570076	13.2718894009217	8.58690499229638
"C119904"	"119-90-4"	"3,3'-Dimethoxybenzidine"	"DSSTox_25091"	0	6.7823992325492	0	1.08918902097467	1.15915793161844	8.42069665201217	1.50980244873432	0.881417537482962	0.0905424314758426	2.15946843853821	0.153846153846154	1.21151611779204	0.53781951732201	0.806968987212069	1.14716804777055	8.37487531566093	17.0278548834745	19.608744983158
"C119937"	"119-93-7"	"3,3'-Dimethylbenzidine"	"DSSTox_24059"	5.6621598770742	5.94468596878175	19.3915922994893	14.2372028675638	0.83000100809839	37.1593459442129	6.27832677019095	35.1759687166726	8.30331578461254	31.7275747508306	21.7730496453901	3.53419708394694	1.84718890035019	40.5389381071798	38.7641707172905	74.942805143022	3.12739123112987	23.9853141406714
"C120068373"	"120068-37-3"	"Fipronil"	"DSSTox_34609"	0	0	0	2.26365965310151	0.1750683093637	2.13128729752771	1.27268619624971	0.297885016383676	1.36942291474238	0.293255131964809	3.59612724757953	1.63468524168469	0.516650391379893	6.48051054718135	2.35853022153356	6.78788458066166	66.2588276642395	103.274093107968
"C120116883"	"120116-88-3"	"Cyazofamid"	"DSSTox_34492"	4.69417517876511	10.2784165571616	0	2.08200070156614	0.449744288247539	-3.84343315255835	0.164391394467873	-0.0756585734919879	-0.410880105185307	2.30769230769231	0.424929178470255	0.627913270982239	0.484161859933665	12.576644296787	0.513729595022839	78.3234115267393	74.6747590531134	108.782378880211
"C120127"	"120-12-7"	"Anthracene"	"DSSTox_23878"	0	6.59844296037824	0	1.34464875058934	0.633408776562304	5.75916230366492	18.5762880610636	10.4672609898555	19.8978478194438	2.39162929745889	1.27064803049555	1.25578787983	0.450974618485243	1.34121941346534	42.9476826615699	16.5052209136621	4.17265268846885	14.8080193316886
"C120149"	"120-14-9"	"Veratraldehyde"	"DSSTox_26285"	0	0	0	0.904046685162155	0.591587908520309	1.34920634920635	0.612763413540577	3.99229556995272	2.43562516591452	1.48588410104012	4.16666666666667	2.53497851664339	2.84845137026666	0.846582489190446	21.9985336111013	86.828254059692	3.84574123645505	10.7850725323632
"C120183"	"120-18-3"	"Naphthalene-2-sulfonic acid"	"DSSTox_44788"	0	0	0	2.63478715199164	2.38824676228937	0	3.22992264135896	0.513643659711074	1.36333450525411	0.285306704707561	0.601503759398496	0.34624493502889	0.0649017022529697	0.729687250432091	1.28463209911465	24.3532315869941	1.23541133036676	7.13074579631947
"C120321"	"120-32-1"	"Clorophene"	"DSSTox_20154"	44.8987281546268	83.5328999603017	52.7674706246135	27.9308709626429	1.69262193773337	72.1540062434964	28.0314260302401	63.5506003430532	20.990296803653	1.12994350282486	0.426136363636364	3.35280964572837	0.957588725415273	6.30377662718131	1.28833596532871	10.2519151065661	65.7690397804841	31.5737906014277
"C120365"	"120-36-5"	"Dichlorprop"	"DSSTox_20440"	5.10061592493369	19.8700690717672	0	1.17721474505394	0.45279168393865	10.3371412649763	2.09020902090209	6.16466025692817	1.34783636793568	0.327332242225859	0.150602409638554	0.188877899500268	0.470373653285128	0.663868115757908	2.85536650424444	16.936123438019	9.7920619775656	8.17570394765005
"C120467"	"120-46-7"	"1,3-Diphenyl-1,3-propanedione"	"DSSTox_41247"	0	0	0	9.71622644597663	1.18389633810343	48.9593464306555	8.27080206770052	20.8602398523985	2.32482257932947	0	1.36391816491011	1.66885075292221	1.3317366325367	6.18435849402401	88.4684484841056	20.4359326771208	31.8296020304044	5.22370082613906
"C120478"	"120-47-8"	"Ethylparaben"	"DSSTox_22528"	13.6261766024204	67.5822340278174	6.49371110469238	56.4879917340793	68.3153236004138	144.900051255766	106.612716763006	86.4707227813358	110.757713623956	2.44286840031521	0.449438202247191	2.21292514202472	1.69619249853661	13.4842624348353	132.145357691849	44.5837436151714	4.96766540285259	4.68567485897817
"C120511731"	"120511-73-1"	"Anastrozole"	"DSSTox_22607"	31.6725294334824	15.9663450862345	94.3762907889302	0.553258400792033	0.49906909391808	2.09276710316974	2.04221139878663	4.24637376497793	1.43879637744668	17.5424413904608	8.74471086036671	0.161508559203991	0.0967893898129709	4.18656766066173	35.5273374426822	24.0500186681067	6.94824918929083	6.12520883422079
"C120514"	"120-51-4"	"Benzyl benzoate"	"DSSTox_29153"	0	0	0	27.1243993593166	1.82062990282168	104.655674102813	16.7190097912433	51.9293410172889	11.443433029909	0	0.127307447485678	0.696291151104813	0.295503890948133	0.406305947591705	7.17425213873286	17.0992461708457	3.03226648163469	11.1810891162032
"C120558"	"120-55-8"	"Diethylene glycol dibenzoate"	"DSSTox_26967"	0	0	0	16.3866569271975	1.78223527151991	16.8561348490788	15.7964309319233	6.09431013879952	7.51806446374929	0.556328233657858	0.557103064066852	0.357455183137106	0.0749318580413081	0.692078820298652	4.83293620850736	12.506668391756	6.38764254324663	7.61857187683765
"C120569"	"120-56-9"	"Triethylene glycol dibenzoate"	"DSSTox_29611"	0	0	0	3.13811462574381	0.896670721013776	8.13639432815665	8.3601756954612	3.47826086956522	3.67360296724575	0.575539568345324	0.583515681983953	4.14794247217657	3.83897635631886	1.07250286377683	5.8141247953795	58.3077981807146	7.29865282500104	7.25785710727536
"C120616"	"120-61-6"	"Dimethyl terephthalate"	"DSSTox_20498"	0	0	0	0.0232147831739252	0.66226420457237	-1.00391772771792	1.04166666666667	-0.830634942981838	0.115265802941585	0.278551532033426	0.686813186813187	0.156740510579195	0.0435722803754897	2.00546587423408	0.759070822173248	8.80460799632295	17.520193188442	4.26309691598014
"C120650"	"120-65-0"	"2-((Dimethylamino)methyl)phenol"	"DSSTox_41293"	7.43341336758055	9.74302623715613	13.6520153939639	1.05175004310451	0.654058851641974	2.06616235745738	2.18200561250787	0.681714891683079	2.27774194643403	0.154083204930663	0.293470286133529	0.434753842805246	0.0719799510303512	0.865994600746374	8.00168905760685	102.048700439316	6.02137806689332	13.5241929221012
"C120718"	"120-71-8"	"2-Methoxy-5-methylaniline"	"DSSTox_20350"	0	0	-181.389295591345	1.82664842418569	0.374228603299689	2.99780648306117	3.88765199520466	0.488498090416553	10.4342249908391	0.298507462686567	0.137741046831956	0.345675187497677	0.00887942211256431	3.14881216567062	9.64099183005785	17.236716258803	15.6224737267583	6.73541305025396
"C120729"	"120-72-9"	"Indole"	"DSSTox_20737"	0	0	0	4.33975400324901	0.35542490646713	-0.442708333333334	0.752890561979029	4.0690897530995	1.44035033699408	1.10091743119266	0.146627565982405	0.791418171585523	0.366597144221092	0.889341985989298	10.8958159211726	13.5979816340951	9.9176437744277	18.2751665676481
"C120809"	"120-80-9"	"Catechol"	"DSSTox_20257"	24.3099848719506	13.7415732378755	12.2184891595359	0.293981773130066	0.44176115446915	12.0772946859903	2.19143007756608	14.3729520405124	0.00401590297578545	0.293255131964809	0.276625172890733	3.10573023872391	3.35284568438806	85.8453974820141	19.2222886903808	16.4867697575801	3.65715508682454	8.90321053119956
"C120821"	"120-82-1"	"1,2,4-Trichlorobenzene"	"DSSTox_21965"	0	0	0	3.06110388842926	0.753898585149231	2.54914004914005	1.07512783532188	0.931596653152765	1.84182829649677	1.27186009538951	0.309597523219814	0.378309767733842	0.176536900879685	1.40529393933942	0.397945192650776	18.9187664461953	3.89936419097064	5.29497699028072
"C120832"	"120-83-2"	"2,4-Dichlorophenol"	"DSSTox_20439"	29.3770231573705	7.36466690874002	13.3890382500305	5.7324056400468	0.200527972382983	30.0583991755411	4.63532800838026	28.1844660194175	6.94766922664762	2.32558139534884	0.14903129657228	3.64633826908534	1.87819254713244	1.24867436219838	4.42817428537966	10.140082525954	14.9643598926243	2.83190738440607
"C120923"	"120-92-3"	"Cyclopentanone"	"DSSTox_29154"	0	0	0	6.72504449945782	4.95433065606893	1.61447189262789	2.51792562948141	0.0576568265682657	0.970715392772657	0.625	87.1667699938004	0.251419568390088	-0.00148227182554149	0.232977225060318	5.85107362191785	10.1750744582678	7.56090815253878	7.95019213877777
"C120956"	"120-95-6"	"2,4-Bis(2-methylbutan-2-yl)phenol"	"DSSTox_26974"	0	3.72902637025726	0	1.19296224286503	0.280671452474767	18.2061905922496	6.78198321630416	28.5194066968647	11.0388420666911	10.8955223880597	0.275482093663912	5.02179420836381	0.142648865192801	2.36519433577823	2.92443482556216	1.70329613734027	13.3751965265028	62.9493546687457
"C121006"	"121-00-6"	"2-tert-Butyl-4-methoxyphenol"	"DSSTox_40788"	0	11.8910453824682	0	2.73089545241444	2.23478158483457	40.5884033133391	27.8422273781903	54.7998953701282	54.4843607400647	0.172413793103448	0.423728813559322	2.27730593396426	0.339020803201411	3.39023848535695	1.89627261749301	48.4669748588724	0.801727075184722	19.6442311108909
"C12108133"	"12108-13-3"	"Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-"	"DSSTox_27738"	0	0	0	1.10151830902054	2.49898689720384	2.50806162665711	2.88278487897743	6.1631073527304	0.403972906478755	0	0	0.0995862137425786	0.111575199950946	1.58485152654835	6.6658319423612	15.5688928936809	5.73965848497594	3.14853157148011
"C121142"	"121-14-2"	"2,4-Dinitrotoluene"	"DSSTox_20529"	0	0	0	3.32965535146362	0.63213738222781	1.38805069402535	0.910902362653004	3.84282907662082	2.7439299575774	4.69909315746084	0.426439232409382	0.619632551219675	0.137410569589867	2.25461929408314	2.34802921076135	21.6692607238721	5.30138253371606	7.0187324111278
"C121324"	"121-32-4"	"3-Ethoxy-4-hydroxybenzaldehyde"	"DSSTox_21968"	0	0	0	0.992635286583415	1.24394073871783	2.42745850739528	0.72733520416929	-0.969550068171488	11.755320954547	0	-0.146735143066764	0.109325640095228	0.23137185271108	0.93900529970755	13.4994839281738	13.9027589329875	0.321542865623424	4.14315715083202
"C121335"	"121-33-5"	"4-Hydroxy-3-methoxybenzaldehyde"	"DSSTox_21969"	4.5064253351719	74.6026448987694	20.0501253132832	3.55472059527756	0.43500133163673	2.38480194017785	0.731599823710884	0.737463126843657	-0.250766230147672	0.614439324116744	0.275482093663912	0.719780126821187	0.0876042413426659	8.46084828230414	8.80154157560477	15.2008886793327	4.99070055796652	7.60069972826346
"C121391"	"121-39-1"	"Ethyl 3-phenylglycidate"	"DSSTox_25886"	8.30971399123937	2.69331333616478	15.9579531931773	0.679085121433624	0.0537432149191165	-0.0376742433756108	1.3977547875853	0.765056489636154	2.2023895206564	40.46875	0.141843971631206	0.119204353326201	0	1.05822363473627	3.37381834985656	10.2297018257966	10.1232822035393	22.006124582781
"C1214397"	"1214-39-7"	"N-Benzyladenine"	"DSSTox_32630"	0	0	0	1.18258547518001	0.337729173367642	-0.559527510102581	0.936876055905392	0.0459207102403201	0.37663081141342	0	0.289435600578871	0.813586875769121	0.0613389292104179	0.698653582903852	2.93104169493848	5.83370806915633	1.7418871200956	39.8146366097574
"C121552612"	"121552-61-2"	"Cyprodinil"	"DSSTox_32359"	0	0	0	5.82555398396983	0.0157173393687917	15.9685863874346	2.44752343814818	23.8395327390101	3.25664643995285	3.58744394618834	0	1.82158837633918	0.87065411733022	3.11924577098785	60.2356519827987	2.92725601222449	5.65330230450202	13.9475352860584
"C121697"	"121-69-7"	"N,N-Dimethylaniline"	"DSSTox_20507"	0	0	0	2.84595759655142	0.879521540282087	8.6283185840708	1.58482722785139	0.391373801916932	0.602409638554217	0.0752445447705041	0.277200277200277	0.503309532030569	0.066759201998254	2.09508584799154	6.13223458522091	4.66481273049868	6.87294753861294	1.95675206688679
"C121755"	"121-75-5"	"Malathion"	"DSSTox_20791"	3.32531249473954	4.72870900736452	0	2.78528713033505	1.88467474161717	2.28848821081831	0.81849511774842	4.76112296831391	0.619256891729924	0.443786982248521	0.41958041958042	1.81849938282666	0.96448272355517	0.760250189072113	1.8615638083796	11.7524749379419	8.36977170314774	1.10590965673934
"C121799"	"121-79-9"	"Propyl gallate"	"DSSTox_21201"	8.85805706536134	11.3905026250107	17.0384204909285	45.2183704656961	1.78846967674729	118.698517298188	44.2913884898166	97.7092352092352	28.3777328679037	3.6222509702458	0.268456375838926	4.13909948435469	1.49616732595373	67.1692824890184	26.5523652679769	3.57035999401596	3.05851791477109	8.01763988650616
"C121915"	"121-91-5"	"1,3-Benzenedicarboxylic acid"	"DSSTox_21485"	0	0	0	1.63689550009336	2.36503255569506	9.23233006425431	1.73514609779914	3.57110404361654	1.53099020495514	0.830564784053156	0.307692307692308	0.117919185657314	0.0800612302576068	3.00553843143088	15.5748556002616	13.0859834125041	6.14338634089931	1.91320003574303
"C1219381"	"1219-38-1"	"Octylparaben"	"DSSTox_47957"	28.5876651641485	70.2713563992651	93.9624442136582	178.856516141338	46.3722832330102	183.71153248368	114.68284441714	87.4483392009796	60.0409774322818	45.1807228915663	51.3748191027496	2.32970604705533	2.87556095528635	22.7268891108169	118.768164564648	84.8037035776761	53.1553600048824	7.33969097500542
"C122008859"	"122008-85-9"	"Cyhalofop-butyl"	"DSSTox_34503"	0	0	0	0	1.2551423731548	5.86345381526104	4.51430274135876	0	1.16051243406179	1.10935023771791	3.39222614840989	0.301898309747456	0.357093904388495	0.648132664316049	3.18837382618784	6.15688043088647	25.0139530551172	9.0555385253454
"C122145"	"122-14-5"	"Fenitrothion"	"DSSTox_32613"	3.88732841546509	2.68222446025052	0	3.45900269291485	0.103271528323875	3.01175318315377	8.10546875	10.5870758834295	12.6100788418092	0.278551532033426	0.137362637362637	2.35308638228908	0.81195523762983	4.34947267872685	5.98491383111886	7.0850833839957	41.822890819616	2.16900267509953
"C122203"	"122-20-3"	"Triisopropanolamine"	"DSSTox_21415"	0	0	0	1.4373416488014	1.33601235549025	2.0890483224309	0.346020761245675	1.86666666666667	-0.0587401955702986	0.477707006369427	0.318268618714195	0.543599989288495	0.269640499985384	0.518655893170604	11.4133255675308	0	7.92228472609051	4.97318579121103
"C122349"	"122-34-9"	"Simazine"	"DSSTox_21268"	24.3270750113547	2.51960501355515	0	2.04099586522389	0.925896312406051	13.6615044247788	3.21295574608123	2.05271565495207	3.88268402075455	-0.0752445447705041	0.277200277200277	0.215775795619667	0.285973822196432	0.705231179811112	4.2558686823297	12.3803447668556	2.61291526689063	5.59082314578435
"C122394"	"122-39-4"	"Diphenylamine"	"DSSTox_21975"	6.04821069908387	15.2495528172513	12.8324056895485	4.46401083677114	0.314752766778353	40.7076605977327	15.0844572476103	33.0776699029126	7.61207358456867	0.996677740863787	0.447093889716841	3.18107369364372	1.36556517457067	2.86164214734449	2.34553910938268	27.3883259210152	7.32710416975087	8.45984282518173
"C122407"	"122-40-7"	"Pentylcinnamaldehyde"	"DSSTox_29157"	0	0	0	2.34329516786338	0.308300511867357	10.6696571611663	6.96731383632342	12.7921535893155	5.33224562444378	4.0650406504065	1.13555713271824	1.26296307533313	1.05655334677745	4.80586790068318	39.0044405240282	14.0537878583467	6.22375106833315	7.91391229980372
"C122429"	"122-42-9"	"Propham"	"DSSTox_20766"	13.0555865765816	18.7946786119246	43.5708961936827	1.64713685606898	0.78819967725157	2.08604954367666	2.74817722938867	0.578939133155999	4.07509593124663	0.33003300330033	1.07197549770291	0.405072219186048	0	0.49899214104019	16.9431086633215	4.90714652634417	7.52649648102061	7.12316274112124
"C122453730"	"122453-73-0"	"Chlorfenapyr"	"DSSTox_32533"	3.44931912775968	5.25219117163521	23.6276067276899	16.7885206696276	0.193524918152055	116.034573998942	7.83132530120482	24.0299429984204	1.72367277196559	0.332778702163062	1.91353649893692	0.544128783212578	0.142452499754845	13.2287546993144	1.05460178367616	27.886974548228	41.6585834386772	108.490013921463
"C122510"	"122-51-0"	"Ethyl orthoformate"	"DSSTox_41957"	0	0	0	1.58394931362196	0.681314344742737	8.85352917176662	2.27253808374261	0.101253991743906	5.27483281683249	0.4149377593361	0.458365164247517	0.192645077942392	0.0123989287244813	0.938909236509501	5.56512233679136	10.1842992927146	6.60659748780443	9.13349752667326
"C122576"	"122-57-6"	"Methyl styryl ketone"	"DSSTox_25662"	0	0	0	-0.23561462283253	4.67059171792257	0.16474464579901	3.76152345064262	-0.118327636076782	0.966695132365499	0.605143721633888	0.284090909090909	1.26101979899186	1.34462271782768	0.878547506291858	22.7655418178	5.6123161873382	3.34249485962906	2.38047744577
"C122667"	"122-66-7"	"1,2-Diphenylhydrazine"	"DSSTox_20710"	0	6.12065419988275	0	10.3131961735028	1.50242978681928	15.2060359837493	1.37752604712957	8.69953554841015	1.30622837370242	2.54372019077901	2.9023746701847	1.33798158405544	0.57540101046612	1.02913249741635	23.3582302812492	13.5752133319323	6.67247778378399	11.3858615031231
"C122781"	"122-78-1"	"Phenylacetaldehyde"	"DSSTox_21483"	0	0	0	2.38257649580978	0.610277248804187	2.97531124709855	2.4693299779805	1.23636363636364	1.08842127086141	0.477707006369427	0.827498408656906	1.1318100174963	0.97436407301315	0.849881978596027	24.6122075727044	16.6322594290587	11.1302823677125	4.50213133924511
"C122836355"	"122836-35-5"	"Sulfentrazone"	"DSSTox_32645"	4.46540573142855	6.43035731133664	3.73628394531968	0.977649033872082	0.268801217931182	3.72648335745297	0.76359193646915	0.312402374258045	-0.941317844982978	3.50877192982456	0.421940928270042	0.209758355677567	0.15913353972147	0.904065281963544	6.3931193353289	7.82728297492441	7.55162896539405	11.7885553754671
"C122883"	"122-88-3"	"4-Chlorophenoxyacetic acid"	"DSSTox_34282"	0	0	0	0.84743739705426	0.654058217294033	2.2764998814323	-0.517063081695967	0.182865502422968	0.784410285272081	0.155642023346304	0.281293952180028	0.492653400046201	0.171536051348293	2.03301831301344	1.84585302408359	13.7994806392497	5.7324019529355	4.22132068701712
"C122996"	"122-99-6"	"2-Phenoxyethanol"	"DSSTox_21976"	0	0	0	1.04203206569961	0.156768009046285	6.29568497995756	1.20791937674219	4.11995322924548	0.690278576711314	2.15384615384615	0.141643059490085	0.415955805943455	0.122398235552899	2.22288146865685	11.9678321040486	32.8846968641425	5.61747160578299	6.4624962268322
"C123002"	"123-00-2"	"4-Morpholinepropanamine"	"DSSTox_41521"	0	0	0	2.80603620493592	1.04179268997594	0.548446069469836	0.125872525460579	1.42063001852996	0.026613833279121	0.394011032308905	0.299625468164794	0.468221424227061	0.148143173410093	1.31031497815877	1.46986073160798	0.55327423025577	5.24727667404209	4.33851019191234
"C123057"	"123-05-7"	"2-Ethylhexanal"	"DSSTox_25291"	0	0	0	4.5397576939145	1.32736493479611	2.31051000281769	0.463499420625723	2.720700152207	0.803201035629173	3.59333917616126	0.288808664259928	0.109037474243126	0.132392376235577	0.34765623407986	11.311028906409	20.4565469139843	4.09975197181788	4.14595884191797
"C123079"	"123-07-9"	"4-Ethylphenol"	"DSSTox_21977"	3.13449892787295	6.49679866423093	12.8493647912886	6.22837370242215	1.47358875538427	43.7762237762238	13.3778691332648	16.1869905173848	10.9032222769298	9.54616588419405	7.37704918032787	2.7239205787039	0.57386254486104	1.04250230209957	11.3456918890765	5.13013898599596	10.9174461283859	3.14816678958997
"C123115"	"123-11-5"	"4-Methoxybenzaldehyde"	"DSSTox_26997"	0	0	0	3.64234056541749	1.91158079898855	4.20277296360485	2.1100014066676	1.96102614701529	0.47771204403809	0.152788388082506	0.282485875706215	0.269273229865212	0.267603384958942	0.64555809593374	12.4746748931569	10.3782626376318	4.65013935748862	2.83137954221367
"C123122554"	"123122-55-4"	"Candoxatril"	"DSSTox_47286"	0	0	0	0.345308051129823	0.932162691327316	5.76707726763718	2.62372922627382	2.56318014209911	0.498547397869516	1.55993431855501	0.144404332129964	0.485426827170242	0.137503523749935	2.37838157330292	4.38853360731827	21.7175378534632	3.18377188880886	5.32632656808789
"C123171"	"123-17-1"	"2,6,8-Trimethyl-4-nonanol"	"DSSTox_29159"	0	0	0	0.541177336818466	87.6097753511167	2.83061255054665	4.00376825247291	0.617933210623191	1.61571306575576	0.302571860816944	0.284090909090909	1.24913347777101	0.184377461958789	0.917000962985805	1.24199283654938	21.3783679858921	8.97210400081011	7.47291983814643
"C123251"	"123-25-1"	"Diethyl butanedioate"	"DSSTox_38732"	2.26860934795153	24.0668384618985	4.89500954458686	6.47352370390907	0.255209968201111	12.2505683253347	2.33080224496534	7.44757772957339	1.87560896394934	0.869565217391304	0.150602409638554	0.616525817442982	0	2.00978371478256	1.03087836506272	10.7154403273238	2.72442050644415	10.6561521581108
"C123312890"	"123312-89-0"	"Pymetrozine"	"DSSTox_32637"	0	0	0	-0.166245920817683	0.16245304091786	6.42390930951563	1.21775566321854	2.06796116504854	0.682264690123236	1.49501661129568	0.29806259314456	0.409397906503955	0.296424135267798	2.43437421124328	31.234108637867	10.8336552997369	2.31296162233423	9.3599935478331
"C123319"	"123-31-9"	"Hydroquinone"	"DSSTox_20716"	0	17.0654404275107	0	5.08452365351854	1.97864015483799	11.7817759721416	6.28627368715474	4.0907466952483	4.66262975778547	0.158982511923688	0.527704485488127	2.40493142443433	3.74429359878881	6.27331686264129	3.43684064421758	9.36524921978325	8.37901114645554	5.97662744895992
"C123331"	"123-33-1"	"Maleic hydrazide"	"DSSTox_20792"	3.54531693515351	0.262730164326252	0	2.02581417215147	0.174151613715645	4.9423035053342	2.41299303944315	3.89900377877018	2.6687829906611	0.709219858156028	0.137741046831956	0.436777919558021	0.422937051438026	2.05752704995504	3.05779029249037	6.93706745750859	5.05231079376577	7.74961231043462
"C123343168"	"123343-16-8"	"Pyrithiobac-sodium"	"DSSTox_32673"	0	0	0	1.80051150895141	0.531107738998482	1.86746987951807	0.559194759546254	3.78601476307643	2.26727127233929	0.78740157480315	0.147710487444609	0.35402615213246	0.339826253114713	1.14265967395044	3.29391234813345	15.616456937955	2.93464343423115	12.3571492951028
"C123353"	"123-35-3"	"Myrcene"	"DSSTox_25692"	0	0	0	3.92047137825472	0.168892800647026	3.83502170767004	1.95479535736102	0.0624804748516089	-0.332465451632286	4.46570972886762	0.281293952180028	0.461576881380587	0.1528197087696	0.681780295561047	12.7160520198666	9.72904453162019	12.0443739509434	9.94039570976057
"C123422"	"123-42-2"	"Diacetone alcohol"	"DSSTox_24917"	0	4.57443258861699	0	0.218875097197823	0.505180367541405	-0.828282828282828	-0.0251988712170498	0.174532808238577	0.248999555357937	0.601859656574368	0.21551724137931	0.652201776837996	0.242745343127265	0.80034399951982	2.40040163836521	39.8672230206117	1.94743745690783	4.29835117344786
"C123660"	"123-66-0"	"Ethyl hexanoate"	"DSSTox_21980"	0	0	0	2.11566328546964	0.00729980290532168	-0.263504611330699	0.742213386348576	0.6103685389786	0.0338432381210227	0.305343511450382	0.129533678756477	0.259453961815812	0.0831955387515734	0.994723535804031	2.82776244826394	15.0255418873841	5.13694380127723	3.50205724414261
"C123773"	"123-77-3"	"Azodicarbonamide"	"DSSTox_24553"	0	0	0	1.43362414524876	1.34358037297791	0.514881326133369	1.60686770856262	0.249088159416422	9.01108392111703	43.59375	0.141843971631206	0.213715007014372	0.0433432109808488	0.742074471185415	3.09960301376907	6.40436843218196	3.99077875949335	3.54152793664089
"C123922"	"123-92-2"	"3-Methylbutyl acetate"	"DSSTox_25453"	0	4.84439457504453	0	2.87653321710977	0.330166236537436	-0.63768115942029	1.65552855407047	1.72791433438793	0.911749526922416	1.61579892280072	0.152788388082506	0.357725712840887	0.215403283353393	1.63958305000277	4.99241202758728	9.06913000991782	5.8093471666525	1.77630511168063
"C123966"	"123-96-6"	"2-Octanol"	"DSSTox_27014"	5.5879688263392	38.9901255623115	21.006342945472	1.58547433415311	0.500408345088722	1.30504178011455	0.723245564470562	0.119172800560813	0.173611111111111	2.09339774557166	0.416088765603329	0.253940527356741	0.0993809526498156	0.932426149934123	3.17290891077666	42.4914788134543	3.74965814482114	4.03028416913776
"C123999"	"123-99-9"	"Nonanedioic acid"	"DSSTox_21640"	17.7244502735824	5.37960210381889	41.6558980985785	0.638404406242177	0.324293705303406	1.36183921511203	1.81607098432706	-0.232397462470951	0.51799119137974	0.155038759689922	0.306748466257669	0.360951610414739	0.115189410047433	0.645969042885273	11.0391492181091	19.0806077426506	3.96287348723741	5.71651262478416
"C124049"	"124-04-9"	"Hexanedioic acid"	"DSSTox_21605"	0	0	0	-1.44597945379677e-15	0.466240506484424	4.90106544901066	-0.141331658291456	-0.362897372623024	-0.268653071193063	2.39752513534416	0	0.109133752612029	0.073205113321833	3.09813725407931	3.43778527602569	19.5005270432782	8.63412449619346	6.78624062683381
"C124072"	"124-07-2"	"Octanoic acid"	"DSSTox_21645"	0	0	7.62799113967491	5.12656881514571	3.34789786548906	28.2285019750836	28.4631948321238	34.7234814143246	30.1661279410659	0.558659217877095	37.2325249643367	0.3453206919501	-0.0624142992323531	0.637943562161098	4.28294294201806	7.22969566067379	4.77406562398465	5.48114107582307
"C124094"	"124-09-4"	"1,6-Hexanediamine"	"DSSTox_24922"	0	0	0	0.745353335220304	5.37402714350035	1.53487468428211	1.27623845507976	4.97743229689067	1.46768461234698	1.36570561456753	0.255754475703325	0.438656636628808	0.130699400061527	0.575031521946876	5.78505762600153	10.6478266673741	9.10324076328319	15.6443960970007
"C124130"	"124-13-0"	"Octanal"	"DSSTox_21643"	26.0485465483152	8.21238428407761	3.82144004569307	5.25231719876416	0.826263098917608	8.28667413213886	0.456565410604491	3.69637557334293	0.735267745059358	2.05254515599343	0.577617328519856	0.832298220196962	0.596165977743307	1.56845731385321	5.55543373437153	5.48088195603689	17.7180270068547	9.25352506485255
"C124185"	"124-18-5"	"Decane"	"DSSTox_24913"	4.42305033185841	7.87710204693174	0	0.986093552465233	1.2984973857338	8.4612973989345	4.20884389984017	1.32802124833997	1.79253031840363	2.27670753064799	3.57653791130186	0.489836148936039	0.457850582817812	0.996241948260537	1.49913729772938	3.74196042058305	12.8581511989982	8.55921092996244
"C1241947"	"1241-94-7"	"2-Ethylhexyl diphenyl phosphate"	"DSSTox_25300"	0	0	0	15.0330209611318	6.72093023255814	51.4982578397212	17.8228388473853	14.1129390840374	13.3087389424412	5.59646539027982	5.48172757475083	1.45842003472359	1.20426833808518	5.72977491608639	19.6577000844052	15.2996819937461	3.47391354523925	6.40111028107075
"C124196"	"124-19-6"	"Nonanal"	"DSSTox_21639"	10.7544816601301	16.0779964826004	11.8743176028145	2.42816013906242	0.313979957612706	3.88260470804035	2.60482120415857	2.00552245313181	1.66617776474039	0.22238695329874	0.143163922691482	0.106781896024073	0.191605597357842	1.02066047953304	3.67531246136258	17.8143604189013	22.0756529545738	5.89375370036951
"C124221"	"124-22-1"	"1-Dodecanamine"	"DSSTox_21984"	0	0	0	3.54916979875351	3.32550046104881	4.81350806451613	40.799055304074	68.8743052300275	57.9552670570803	7.45650372825186	84.340859431901	0.210875721103419	1.28332274557161	2.07856044821589	25.5561443309414	81.8013161554077	5.23332276557563	8.98974283347093
"C12427382"	"12427-38-2"	"Maneb"	"DSSTox_20794"	0	0	0	0.358744394618834	0.0498779303284065	8.78811170894183	2.66949462444233	4.545842217484	0.681351166228056	0.99009900990099	0.264200792602378	0.406390941907918	0.117356950638153	2.95480123861662	10.2150676353344	21.0773611011875	5.99757142523492	9.03232059682235
"C124378774"	"124378-77-4"	"Enadoline"	"DSSTox_47258"	0	0	0	3.54129992455591	1.18312851412978	11.0953394842678	4.96417604912999	5.22673733804476	5.36451169188446	1.53203342618384	0.416088765603329	0.485426827170242	0.137503523749935	1.22035933281978	4.60931616066292	7.67571961800159	9.22522268639295	3.27118686550995
"C124403"	"124-40-3"	"Dimethylamine"	"DSSTox_24057"	0	0	0	0.938953052347383	0.451554983853894	2.69315673289184	1.51300979006335	-0.151745068285283	0.174880763116056	0.759013282732448	0.140449438202247	0.150088434848309	0.0355588663348909	0.673616431208811	3.97497024339792	25.9856334059652	6.19696249411561	4.15183434199936
"C124495187"	"124495-18-7"	"Quinoxyfen"	"DSSTox_34881"	0	0	0	3.39830508474576	0.205621203017558	2.34002899150962	-0.594679186228481	3.69087760867584	-0.293808262903986	0	1.25874125874126	0.121484267308992	0.35562711647861	2.5259958730981	6.49415497334513	9.07158201336227	56.3401501823589	11.3209513916933
"C124685"	"124-68-5"	"2-Amino-2-methylpropan-1-ol"	"DSSTox_27032"	0	0	0	1.64141746805428	0.630911536817077	0.724637681159421	1.45791915175613	-1.89291508923742	-0.00676864762420544	0.305343511450382	0.38860103626943	0.268166393152392	0.209033605983166	0.281062393481206	1.38071260201631	3.67047895660518	5.98389453421061	2.83052424254911
"C124765"	"124-76-5"	"Isoborneol"	"DSSTox_42060"	0	0	0	4.85088815253409	-0.10640431896875	-0.0917150718434741	0.868273734719526	1.30794942595553	-0.492813141683777	0.0741289844329133	0.143163922691482	0.417658199437984	0.16219183559055	0.59319728885344	3.09178939892521	8.24567505056181	5.10838602032951	9.23448550207273
"C124947"	"124-94-7"	"Triamcinolone"	"DSSTox_40742"	11.3551181102362	36.2126895190938	12.8259187104694	2.00158971023918	2.47436605881992	7.9191698525396	5.49335721749515	6.94346289752651	4.15877226222054	4.45151033386327	3.10650887573965	3.50295934856825	3.1164904781483	3.86602604088449	64.9901151715463	72.1081767351373	1.16463738785484	4.25856659973457
"C125116236"	"125116-23-6"	"Metconazole"	"DSSTox_34497"	10.8806329375792	18.0401392430188	33.4352122544637	1.08099299255799	0.0130824982338628	9.7319881789463	25.4655546669713	76.4569103328005	66.6705778820769	0.518902891030393	6.2992125984252	1.5194961577441	0.713892380691593	5.62898882342196	2.59928232703276	26.6514719999806	53.5460423729842	75.4506375561527
"C125122"	"125-12-2"	"Isobornyl acetate"	"DSSTox_42061"	0	0	0	5.46838239806878	0.233616131808681	5.81125058112506	1.74496644295302	2.44810574327469	0.387301587301587	0.148148148148148	0	0.540264926761235	0.256387614159843	0.270844135423126	19.8390517597501	14.3373276619579	4.69524729418391	5.38310235687926
"C125225287"	"125225-28-7"	"Ipconazole"	"DSSTox_34674"	10.0159132804991	22.4887984498951	9.27589221842461	2.67097652262674	0.0969544006525184	4.31764542551714	2.48021668702533	9.88494951866635	3.3452600132004	101.010101010101	0.681198910081744	0.97108197881341	0.510301969212154	2.33619161257162	5.08720649498866	25.7985994339362	96.3651448002984	99.3328430974375
"C125401925"	"125401-92-5"	"Bispyribac-sodium"	"DSSTox_34383"	0	0	0	2.33925737035206	0.266142096736866	0.922837447187011	0.0805888357599522	-0.897426388785878	-0.552683187733998	0.168350168350168	0.45045045045045	0.459494763184455	0.0530072496631631	0.669864550924813	6.39391946100881	5.85017182659365	8.76132174391714	13.5909283447825
"C125848"	"125-84-8"	"Aminoglutethimide"	"DSSTox_22589"	11.7195724244122	8.87795808670759	12.3809932241187	0.652262535670607	0.266342573438146	0.673112226165707	2.38400410151243	2.606684885432	0.613496932515336	1.69765561843169	0.141043723554302	0.130867966864136	0.0818699699772214	2.34979744832471	11.8526515800138	9.84271358408352	25.6478226943586	8.59097793558575
"C126001"	"126-00-1"	"Diphenolic acid"	"DSSTox_22436"	44.0243643818186	91.7125056058215	83.5117967332123	23.4671958429656	22.2697651543096	107.655354098869	82.9194630872483	102.364330261566	73.168253968254	99.1111111111111	94.1441441441441	2.04034928852468	1.47767419309223	8.86277601015963	63.9059377212954	64.8383659610857	13.9755010014018	3.16182085616805
"C1260179"	"1260-17-9"	"Carminic acid"	"DSSTox_22817"	0	0	0	6.64224086987354	2.97170298461221	20.546683046683	3.77605873869149	6.79720521004054	4.42790557810856	0.476947535771065	0.464396284829721	0.789165203582337	0.154585676441065	1.21270969033062	0.516566043688396	6.63376384612251	5.50608556818856	33.7002153625389
"C126067"	"126-06-7"	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	"DSSTox_29162"	-751.975201845444	7.54518366342096	99.0810126582278	3.70808678500986	1.69994640427666	7.79896013864818	-0.309466872977916	2.50370004933399	1.1104432281945	0.152788388082506	0.282485875706215	0.251785803136374	-0.00148227182554149	0.963314917569009	3.12971266772679	5.77341484273938	4.71940748184692	8.73562958979411
"C126114"	"126-11-4"	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	"DSSTox_27034"	0	0	0	5.34908168944407	-0.0595850712312444	3.15423102023059	1.31300935707818	0.827665328197984	0.675791274593669	0.797448165869218	0.380469245402663	0.707887559548201	0.126543228656093	1.66776725326277	2.1952773874722	17.0485436039325	3.369284768665	7.04331294259276
"C126147"	"126-14-7"	"Sucrose octaacetate"	"DSSTox_42423"	0	0	0	2.32591632462015	0.467785754124611	3.48525469168901	2.53468059599246	4.46753708144595	1.62147306705753	1.19402985074627	0.137741046831956	0.426763795561767	0.148112493432391	3.60088076381018	3.11437692127059	14.866515271428	8.78757115472524	9.3454360240786
"C126307"	"126-30-7"	"2,2-Dimethylpropane-1,3-diol"	"DSSTox_27036"	3.764442500193	-39.7029933309207	5.69846955389124	2.17238313949181	0.529254815052415	2.37837837837838	0.930340737295034	1.09035584481447	5.98935728573046	0.154559505409583	0.460475825019186	0.170076705986228	0.146052825593194	18.628034760632	51.4792599372858	21.5806991043268	2.9929899704937	3.64941808946
"C126727"	"126-72-7"	"Tris(2,3-dibromopropyl) phosphate"	"DSSTox_21413"	1.56275048665979	5.42242395923726	10.7810905792994	0.660786181885239	0.0336062158056756	0.0406256347755434	3.24979974825495	1.23533045089562	0.694916757843689	0.394011032308905	0.749063670411985	0.784829187181159	0.212310116749024	5.86478063637938	32.9659175744792	2.70838518304825	96.5029010791029	20.7237892858831
"C126738"	"126-73-8"	"Tributyl phosphate"	"DSSTox_21986"	0	0	0	3.40598882869262	0.276509759649209	9.12190963341859	2.88425333232924	2.36818588025022	-0.156620216055579	1.75953079178886	1.79806362378976	0.930115905887494	0.34942620873587	11.3003685630323	65.4552720793558	14.2221782182475	2.54459453690314	3.27731686559345
"C126833178"	"126833-17-8"	"Fenhexamid"	"DSSTox_32549"	4.71802063742257	18.443256145285	0	32.82985503509	4.13531598513011	88.4145033254667	64.9882903981265	129.090369931055	73.7513098148795	61.4088820826952	75.9284731774415	3.76607484994051	2.52670430016455	30.9340172780957	54.4717318151449	61.2374356014914	49.4704966270493	12.1315818709285
"C126863"	"126-86-3"	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	"DSSTox_27041"	0	0	0	1.33971693754987	0.472848050524387	3.43847684001137	3.3210332103321	0.938337801608578	1.27304124332356	1.31964809384164	1.38312586445367	0.811459320390337	0.203773623049289	2.26956749315743	11.3964758962693	28.3276062571334	17.5377575115825	38.5613458565923
"C126921"	"126-92-1"	"Sodium ethasulfate"	"DSSTox_26033"	0	0	0	0.339562199679658	1.22936424306287	0.242483026188167	1.48408153211405	3.77098471561012	1.42230169050715	0.53475935828877	0	0.285054210440376	0.134292839464107	0.569658478725072	5.4809652956921	29.5769247966572	5.34433484420025	7.43452945309547
"C126987"	"126-98-7"	"Methacrylonitrile"	"DSSTox_24176"	0	0	0	-0.0885576178000812	0.140820783998161	-1.56383281205573	7.0164640713956	-0.240164684354986	0.503387456947126	0.145137880986938	0.136054421768707	0.766044705868838	0.0660065604560325	1.12292082523522	2.09864654695133	3.81692236406325	16.0802289079916	12.8048367878138
"C127071"	"127-07-1"	"Hydroxyurea"	"DSSTox_25438"	0	0	0	1.52143845089903	0.286438250523301	5.08146920740127	1.30242072962837	-0.605524561164784	-0.634858812074003	2.95420974889217	0.138026224982747	0.348592612196347	-0.0119996473012243	1.11953375497498	2.37628401635456	11.5195105804631	6.96920121887694	8.43369710060307
"C127195"	"127-19-5"	"N,N-Dimethylacetamide"	"DSSTox_20499"	0	0	0	0.574296825540381	0.173923656668599	1.3241785188818	1.97628458498024	3.3384497313891	1.13417369601618	0.15785319652723	0.420757363253857	0.368780461041573	0.0395461279760696	0.341828885661972	3.09168473622951	29.9723672580836	5.55340683874865	5.88279347073877
"C127253"	"127-25-3"	"Methyl abietate"	"DSSTox_48190"	0	0	0	42.0066271932207	0.10640431896875	4.94242331600937	10.293613618188	2.7030954803081	3.69023173951305	1.40845070422535	2.72011453113815	1.88436486073207	0.583239468101579	1.55028105112052	4.54110226213556	4.55709488996787	12.8900542565689	13.7061379182102
"C127308821"	"127308-82-1"	"Zamifenacin"	"DSSTox_47257"	7.31643164473478	17.673705909188	47.169996467402	8.66717140129695	3.33622750573879	35.781476121563	21.5332926084301	20.9778194314277	10.6589224914881	6.69856459330144	1.54711673699015	2.0703893278914	1.88752527074159	2.39934825347398	8.16149412775767	6.58889689782265	23.848942655561	37.6281626352814
"C127399"	"127-39-9"	"Sodium 1,4-diisobutyl sulfosuccinate"	"DSSTox_29164"	0	0	0	1.66876949079915	1.86754488132053	2.8457974851092	1.09039029858351	1.52926456276936	1.20682480233042	0.874125874125874	0.147383935151069	0.234586841015699	0.0611506624359487	2.14093026864257	3.62710331453306	7.58981998820922	3.46560232196333	4.62207864185447
"C127413"	"127-41-3"	"alpha-Ionone"	"DSSTox_35160"	0	0	0	18.4976972475081	1.80276927295161	14.9839878644868	4.21119941536494	9.33741080530071	1.80078784468205	0.712250712250712	0.154798761609907	1.82456833117964	0.933209517886373	1.05740958208789	8.82425806807418	1.23962498472857	4.44990565962054	3.18990539387188
"C127479"	"127-47-9"	"Retinol acetate"	"DSSTox_21240"	0	0	0	2.76791584483892	0.251487624884906	6.02253032928942	-0.422000281333521	3.98371978293044	2.06586731627068	0.305576776165011	0.423728813559322	0.6348607347593	0.375083390889538	0.399053096618051	8.35018570473772	20.2677182842768	13.4022839905193	24.0185695189492
"C127515"	"127-51-5"	"alpha-Isomethylionone"	"DSSTox_27047"	6.73428183396155	8.92490279046489	22.5405721934081	2.04658751019668	0.687917837418855	13.645965356992	6.04976790198615	13.5965913413985	2.99711326201392	28.2674772036474	4.3557168784029	3.95969563480319	2.30733180064118	2.12268885154309	2.67051103192926	20.0486939670681	5.38250644763595	6.50902386505528
"C128041"	"128-04-1"	"Sodium dimethyldithiocarbamate"	"DSSTox_27050"	0	0	0	1.08868060562365	0.0408059168579444	2.15182307232517	4.43649847702291	2.90083949796359	3.09221424627278	0.474308300395257	0.29673590504451	1.43022494121535	0.157389795900567	2.18983604701512	5.65684344499375	11.8796660347385	1.57554599725959	4.7632236485654
"C128370"	"128-37-0"	"Butylated hydroxytoluene"	"DSSTox_20216"	0	0	0	2.75404029222936	0.776401997286922	9.17268315777015	4.10416076988395	8.79560219890055	2.82959268495428	7.1875	0.297176820208024	1.27963945671846	0.231108595545954	0.954625822434107	2.02492774411131	3.77180001894722	3.09679234925784	9.3653490171886
"C128392"	"128-39-2"	"2,6-Di-tert-butylphenol"	"DSSTox_27052"	0	3.68417944819237	0	3.39123634381591	1.65894284371012	10.1156677181914	10.7580571947345	14.0475262952863	7.87048207305892	6.14439324116743	0.140056022408964	1.74391302816765	0.0356868559137128	1.79534153709856	2.17484855319506	5.24896485430043	3.31160731096325	11.630050800834
"C128639021"	"128639-02-1"	"Carfentrazone-ethyl"	"DSSTox_32532"	0	0	0	2.87944787011371	0.516702715693343	3.62257792754845	1.27521446788778	3.06678131269705	1.29145479908203	2.02090592334495	0.891530460624071	0.496898911995592	0.680996346070499	2.22140326132986	15.1958768224591	10.0436212703009	15.6021169906869	6.3734312944016
"C128950"	"128-95-0"	"1,4-Diaminoanthraquinone"	"DSSTox_41252"	0	0	0	4.61743019460897	0.535125647502033	3.61937128292268	1.5962706596977	4.94960132390552	3.29422099516848	0.278164116828929	0.619674670797831	0.793581403602283	0.228599759249212	2.70520382772235	7.70639819929927	6.3522889725093	5.89110051509303	5.10020742879188
"C129000"	"129-00-0"	"Pyrene"	"DSSTox_24289"	0	0	0	3.37214816375994	1.44152583167454	25.7856399583767	27.0827156833679	19.8970840480274	25.4423515981735	0.484261501210654	0.284090909090909	0.689649430716727	0.235723900300493	0.830545074553191	5.91229630762638	7.86903474145103	0.43566309101477	11.3608492746341
"C129066"	"129-06-6"	"Sodium warfarin"	"DSSTox_35010"	0	0	0	0.745113909586498	0.186085117206849	2.33840723582617	1.83430143686946	0.180731266509106	1.6293735394859	2.44755244755245	1.03168754605748	0.932065014436024	0.292693594570713	2.11653414358383	2.85208404726003	9.15813822393557	2.74683023913662	5.97478357109362
"C129179"	"129-17-9"	"Sulfan blue"	"DSSTox_26065"	0	0	0	0.0271427080070991	0.537436709755891	2.36326806212019	5.68081991215227	0.895140664961636	0.286361033081517	0.287769784172662	0.583515681983953	0.535361433051948	0.141355849245544	1.04964990410816	3.9315180762171	30.4879478478249	5.5954146488075	84.8307823839219
"C129453618"	"129453-61-8"	"Fulvestrant"	"DSSTox_22369"	32.7118951478183	89.6478227654698	100.86921132689	255.233853006681	383.921609670583	295.414246407826	534.296812521421	132.030228164511	215.584463872949	124.162837247819	106.461538461538	0	0	3.06141376653843	0	63.1544358724223	112.693992245659	100.994768017514
"C129630199"	"129630-19-9"	"Pyraflufen-ethyl"	"DSSTox_34871"	0	0	0	-0.808885669443438	0.601078405374348	3.66676444705192	0.451733963444297	0.122506125306263	0.961887477313974	0.656814449917898	0.348189415041783	0.585019788033922	0.113934120291378	0.628463067091501	1.77352465438985	16.8560526081483	2.46271126240112	8.28887176610066
"C1300727"	"1300-72-7"	"Sodium xylenesulfonate"	"DSSTox_26302"	0	0	0	0.310904694277051	0.251809082931668	5.4251012145749	2.91822721598002	0.518046709129507	2.09061825757012	0.434512725015518	0.264900662251656	0.500249687915065	0.113984732250962	3.03972429236213	4.75974410335712	9.28321097992593	3.18873959120507	3.51199094034123
"C1300738"	"1300-73-8"	"Dimethylaniline"	"DSSTox_27377"	0	0	0	-0.0926869960144593	0.106850290870236	-2.74747474747475	0.388911874224244	0.853154084798345	0.572106121239069	0.302571860816944	0.426136363636364	0.665679555786218	1.05131086658001	0.699620488348822	7.39634822441311	6.83290019202235	5.41230504969378	7.69234246703245
"C130143"	"130-14-3"	"Sodium 1-naphthalenesulfonate"	"DSSTox_42394"	0	0	0	0.787810170770827	0.453463690744195	1.0685836409559	1.51133501259446	4.5135406218656	0.539686718441491	14.5675265553869	0.51150895140665	0.40772142452412	0.153552355738014	1.96792107778201	3.79874696176949	18.6840024248197	2.97767656642456	8.5549477897189
"C1303113"	"1303-11-3"	"Indium arsenide"	"DSSTox_23825"	0	0	0	2.92455148685181	0.879203105270542	9.36199722607489	-0.157955198161976	2.31489082252504	1.53149553868691	0.443786982248521	0.13986013986014	0.443360780330572	0.0947445982404856	2.1343084441376	36.900481033969	37.9586896520496	9.15032968322154	4.66359144296018
"C13071799"	"13071-79-9"	"Terbufos"	"DSSTox_22254"	0	0	0	10.9611773439888	0.623453289041865	67.7797305399893	4.52443857331572	34.6935650311271	5.55262353823504	57.0903377536235	4.9165094922023	2.3106101061752	1.55964891943303	2.9426400658896	54.2014505946245	18.1860985036146	6.63384364227769	3.26665989240036
"C131113"	"131-11-3"	"Dimethyl phthalate"	"DSSTox_22455"	1.60208865764846	5.41250508561471	18.1865284974093	2.94155372183505	0.245116524624783	1.40318054256314	2.48703752526584	3.37342329128777	-0.691611987941125	0.734214390602056	0.560224089635854	0.269591000245033	0.325161835751556	2.60671821093682	4.01561959251312	19.0880957537651	3.70293759093497	7.67206090185759
"C131179"	"131-17-9"	"Diallyl phthalate"	"DSSTox_20392"	0	30.7845124316391	0	25.5869208576116	10.8327325162221	64.6166807076664	27.011361001623	23.3209133467087	13.7740179093732	33.1010452961672	11.7384843982169	1.51869154091665	0.604698718782415	1.24102707815993	24.1163804448276	21.0969046713433	2.29241786392349	5.53155572633247
"C131180"	"131-18-0"	"Dipentyl phthalate"	"DSSTox_31131"	3.04865926465892	2.25013150973172	10.3534547003087	54.1953398527104	9.85886443324789	84.4529187444999	24.0113975953854	40.25201260063	14.5553539019964	61.0837438423645	42.966573816156	1.03663187470566	0.466655604495183	2.01435865525403	6.01658747356235	4.569692846979	10.3986552083904	3.80741105442532
"C131341861"	"131341-86-1"	"Fludioxonil"	"DSSTox_32398"	4.36655209758749	2.10187909495116	0	9.29959732394813	0.243605359317905	55.1808298202796	22.365869424693	60.8691888148212	24.5851259987707	4.31947840260799	1.12676056338028	4.65817993656893	2.39492267526844	24.7730312207016	19.5076336979695	14.4912331266044	41.0453605870985	75.9860369929467
"C131555"	"131-55-5"	"2,2',4,4'-Tetrahydroxybenzophenone"	"DSSTox_41306"	105.592100115285	98.2371993899622	75.2138579982891	90.7416677644579	101.868749543762	115.579710144928	146.388336646786	123.241444788552	146.189251387573	105.794947994056	86.3989637305699	3.87146957017523	4.10907887747578	92.5552401420943	110.139150062661	109.308453729316	4.12642392973022	3.31140716412176
"C131566"	"131-56-6"	"2,4-Dihydroxybenzophenone"	"DSSTox_22406"	65.1353650990099	76.776898332977	48.5249894749504	171.429147024457	214.540434093925	188.56414613424	263.992089278147	113.509854069505	141.814645165339	102.50347705146	109.837335398916	3.37550374577844	3.0547695108671	61.3598574958301	137.9110885823	138.463615831341	12.0837148795393	8.66590275592777
"C131577"	"131-57-7"	"2-Hydroxy-4-methoxybenzophenone"	"DSSTox_22405"	0	0	0	23.3657234383342	4.04226671349959	101.01842870999	23.6159862060472	62.6785266850413	16.1167100130039	0.71301247771836	0.127307447485678	1.97936126997911	1.50309001130049	12.5924165950626	81.5883342784004	25.9000176887179	3.36413671346081	2.99343320108617
"C131704"	"131-70-4"	"Monobutyl phthalate"	"DSSTox_40002"	13.5526365349713	108.928178611919	0	1.22520145139249	1.45587718858175	7.12059458163511	-0.36101083032491	0.388377445339473	0.800222026920764	0.896860986547085	0	0.391600535594366	0.0943143039766556	1.1369170508914	5.44218796561855	8.52065854013544	3.15663159197989	5.90141427013378
"C13171001"	"13171-00-1"	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	"DSSTox_44536"	0	0	0	4.49190260687437	0.119861434912606	58.0776857576111	4.32235816524163	25.1589464123524	2.32589679256798	6.08773500447628	0.710227272727273	0.704079953065873	0.224782700239678	0.974554048543904	3.70342765269825	20.9070374521055	3.80611585391605	31.1356784393672
"C131807573"	"131807-57-3"	"Famoxadone"	"DSSTox_34588"	0	0	0	2.69444221024692	0.374361144568508	-1.31795716639209	0.228175441561735	2.36291486291486	0.606283299650928	0.517464424320828	1.0738255033557	0.754333607496797	0.314411765199384	10.2433637402042	3.75378762421141	2.54345113313713	85.1865440049153	106.81158500402
"C131860338"	"131860-33-8"	"Azoxystrobin"	"DSSTox_32520"	3.41284655914441	3.85901693943066	9.39944354034332	0.510529674537333	0.201258888934261	0.212701306593737	1.47539676210224	0.507706255666361	2.33030143576637	1.39664804469274	10.2710413694722	0.285731128495526	0.214275093913938	3.2189408294769	0.875211986983413	73.8689440024813	87.9125384685943	104.887464186193
"C13194484"	"13194-48-4"	"Ethoprop"	"DSSTox_32611"	7.73800636587126	6.58010380142657	0	1.57594141763632	0.229315985914817	2.67087276550999	2.31502496595552	0.786910790806385	2.28248805674854	0.153609831029186	0.140056022408964	0.814055742116751	0.462465415624672	0.850967176628777	0.702307314112803	18.4504312626886	4.33655603260628	6.22891554657779
"C131983727"	"131983-72-7"	"Triticonazole"	"DSSTox_32655"	0	0	19.0003347093607	0.8801624915369	0.342771552841547	6.55270655270655	2.92625169147497	2.55125284738041	5.07350393505915	2.76073619631902	0.710227272727273	0.764414366301378	0.417790078298225	0.400805567898279	1.55189190984926	24.4315848537419	3.72425658752094	17.1156637971467
"C1320076"	"1320-07-6"	"C.I. Acid Orange 24, monosodium salt"	"DSSTox_41708"	0	0	0	0.851914956663457	0.555498855468237	2.35675675675676	1.04663332945691	1.91868819203787	1.08314148771559	0.463678516228748	0.153491941673062	2.22618496507381	1.01867486444213	1.1957266657968	1.87305981825322	7.73264308138547	7.38619306844259	14.0497124655868
"C1321740"	"1321-74-0"	"Divinylbenzene"	"DSSTox_25216"	0	0	0	5.93987046697412	4.24205564847195	6.71450538185546	4.23121387283237	7.13052060202319	9.84779551658532	0.14265335235378	1.90174326465927	1.20123843022184	0.982214060622684	1.31944937963722	2.65425650517611	3.84401109653883	8.34525301957008	33.6759317933345
"C1323199"	"1323-19-9"	"Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate"	"DSSTox_44537"	5.25913601981003	11.6649040916053	1.02871417744969	2.78487682782242	0.662196406411312	-0.164690382081687	3.53876739562624	0.378583017847485	0.419656152700689	0.458015267175573	-0.129533678756477	2.21761730349842	1.23281048384566	1.42403415437772	7.54179175579021	6.56464767597237	20.3462461259889	11.5778276989302
"C1323382"	"1323-38-2"	"Glyceryl monoricinoleate"	"DSSTox_42007"	0	0	0	0.827530071447951	6.16971287340188	1.48765734837338	1.3529948312557	1.9314402660527	3.23823966132752	0.631412786108919	0.280504908835905	1.04088625852536	0.505486720025449	1.63316459010602	2.62404193582979	20.2600257233418	33.038354725512	6.91536198120058
"C13254347"	"13254-34-7"	"2,6-Dimethyl-2-heptanol"	"DSSTox_41424"	0	0	0	0.849858356940509	1.47663226100111	3.30906684315023	2.29287679608682	0.611705825107744	0.342520567239669	0.874125874125874	0.589535740604274	0.730995224849683	0.0377037259020368	3.62137024921724	9.05091074438721	3.53329091051716	5.52144507759659	7.06254650817023
"C132649"	"132-64-9"	"Dibenzofuran"	"DSSTox_21993"	0	8.70281535687	0	0.331984173905135	0.420428394406089	2.44003308519438	3.13713309520112	1.03597664343568	1.80977114104853	0.285714285714286	0.121802679658952	1.31700412589653	0.158904866117169	1.45024076101905	42.9676019131013	26.3706310809829	2.9478105408991	4.37043950585226
"C132650"	"132-65-0"	"Dibenzothiophene"	"DSSTox_47741"	0	0	0	19.7979708081168	1.45149817729172	53.6390957794329	16.6864708877949	11.1866092144514	7.81441569336001	0.291970802919708	3.23450134770889	1.92523967520154	0.873873226756396	0.878498419141907	9.63817145384117	21.7558917555181	5.43671769595425	2.78153957687153
"C13292461"	"13292-46-1"	"Rifampicin"	"DSSTox_21244"	14.5860393687791	10.6532412500509	13.4710656688099	0.767978842437188	0.13411090565501	-1.30749474667289	-0.918657090362451	3.91162622238319	0.402379286214136	-0.465116279069767	0.133333333333333	0.203317049323405	0.0619306131818816	0.756656948411042	4.62488606228583	2.39979589916355	17.1955078909716	9.86699443580801
"C13301616"	"13301-61-6"	"C.I. Disperse Orange 37"	"DSSTox_44538"	0	0	0	2.06126810733792	4.00508899504821	6.59085034892737	6.62375972110485	3.67298578199052	2.62494519947391	0	0.401606425702811	1.93518892420823	0.314695292499811	1.2045672198714	6.28182949935163	5.45236268502693	23.7365927145087	8.28482189509362
"C133062"	"133-06-2"	"Captan"	"DSSTox_20243"	10.8428023605854	1.35821158161925	0	0.873719278395877	-0.266549644871358	0.445009535918625	0.716479017400205	2.46840148698885	-0.341708542713568	1.34529147982063	0.142857142857143	0.168275372015731	0.291382244803728	10.5518596166951	3.48631591262279	10.5351287950431	99.9706789286218	106.604696510917
"C133073"	"133-07-3"	"Folpet"	"DSSTox_21385"	1.63201764938566	7.10508102362228	0	0.874266651328655	-0.50761421319797	-0.0846560846560847	-1.12219451371571	0.597184700696716	1.24829959190206	0.232738557020946	0.886262924667651	1.24005150599676	0.389649025907938	13.5497518772534	2.16310637825594	4.68200243276195	82.5709417953844	96.3863493965813
"C1330785"	"1330-78-5"	"Tricresyl phosphate"	"DSSTox_21391"	0	0	0	16.8737788198515	8.98700572865726	17.2546504169339	17.9382379654859	6.85700912707699	2.65274687660448	3.65853658536585	2.6984126984127	1.02381524928258	1.05911896684129	1.21179575314873	8.00391409346371	5.26239961741953	1.35621638227745	6.51195583460411
"C1330865"	"1330-86-5"	"Diisooctyl adipate"	"DSSTox_27388"	0	0	0	0.271227855833842	0.47531512605042	3.58440300314846	1.7612328630041	2.13714169958473	1.22018475113746	9.44395410414828	0.547778454047474	0.276222210896043	0.0651734590050728	1.5249797843626	4.19898262751342	19.6296728879186	17.2314952112709	13.3208480857555
"C13311847"	"13311-84-7"	"Flutamide"	"DSSTox_32004"	18.4802852125792	7.73799256310769	25.6040695209835	1.53470801196285	0.00272572402044293	-1.56626506024097	-0.923263205690935	3.8203943024243	-0.190283872470972	0.139762403913347	1.11034004163775	0.346811344382468	0.116604108000629	2.95348353329131	4.3413236060844	43.4756423087775	28.6556209637292	91.5403495407069
"C1333397"	"1333-39-7"	"Phenolsulfonic acid"	"DSSTox_27390"	-27.755249664915	8.13639176122659	20.1817942300092	1.04675141611632	-0.346511627906977	0.487804878048784	-0.564110382680285	4.68652734548688	-0.297512793050102	3.240058910162	39.202657807309	0.295105656729044	0.0990700152958259	1.17900456296242	3.24498818458815	27.6085946667179	2.28468728716473	4.78072276376114
"C1335462"	"1335-46-2"	"Ionone, methyl-"	"DSSTox_29214"	0.175339452133586	5.40864467074828	26.1904761904762	2.19194481657783	0.689808633733867	22.292863002461	0.13576196402308	11.6969194848234	4.31020669764461	0.493421052631579	0.56777856635912	1.88577548879163	1.06384997108917	0.528046646076416	3.03522965655115	4.50163986152675	5.23413055310963	8.51503776358513
"C1338438"	"1338-43-8"	"Sorbitan, mono-(9Z)-9-octadecenoate"	"DSSTox_27397"	0	0	0	0.785059657617153	0.459145889903728	9.90643101143621	3.38094085370774	5.56340515718827	0.631688466111771	0.46583850931677	0.321543408360129	0.455565305861449	0.17374839482101	2.38127482012605	2.74939514412809	23.7760641144166	17.6832661357161	7.78566882170406
"C133855988"	"133855-98-8"	"Epoxiconazole"	"DSSTox_40372"	6.86516247686568	10.2524261596826	11.5950425714142	56.0357909057611	87.0844160665231	95.3431602666416	151.316532941575	56.0602874167543	38.6656746031746	8.69565217391304	4.02219140083218	0.876139870900656	0.198606238875206	3.44435898691433	1.22456947519481	21.7975728081671	31.6798764087951	47.0771693068205
"C133904"	"133-90-4"	"Chloramben"	"DSSTox_20262"	0	0	0	2.76461295418641	1.63896650056168	11.3643558088003	3.34912043301759	4.66514806378132	2.47982972825818	2.45398773006135	0.426136363636364	0.194393310401993	0.116604108000629	1.29745783721619	7.78270606791042	18.2030377398842	4.50835862993858	4.11482098293897
"C134002601"	"134002-60-1"	"CP-085958"	"DSSTox_47297"	25.784385296083	8.69607588357588	20.491042420867	-0.268775786211973	0.595082032336233	2.40655401945725	3.19173017430016	-0.20497803806735	2.446205134866	0.452488687782805	0.258732212160414	1	0.263034405833794	2.36037651483232	12.4599612507496	48.097366810059	2.62798456585325	4.21374026162313
"C134032"	"134-03-2"	"Sodium L-ascorbate"	"DSSTox_20105"	0	0	0	1.13387978142077	0.0529185177892368	2.67295597484276	-0.304273051991004	-0.723079929646278	0.609058358864568	0.96696212731668	0.294117647058824	0.257887992842189	0.161176035239835	1.85986481036456	10.8234842884558	43.4216261183361	5.69840818359071	2.77383496725157
"C134203"	"134-20-3"	"Methyl 2-aminobenzoate"	"DSSTox_25567"	0	0	0	3.6669702796613	0.772281590833976	-1.71223418945043	-0.211387657688375	-0.210913049394476	0.0662122687439139	0.590841949778434	0.138026224982747	0.225188451206714	0.0655189347012009	1.40059737620044	2.46961232939718	6.06122074089179	6.01539941557879	0.866233465312304
"C134316"	"134-31-6"	"8-Hydroxyquinoline sulfate"	"DSSTox_25436"	1.97411755589135	71.4641036952217	24.3139850206612	1.85961825658231	0.0934464527234721	2.06105687277235	33.7919463087248	5.51987340593875	8.54603174603175	0.296296296296296	0.900900900900901	0.563542359597109	0.260534789197713	28.1654132435804	1.76967977275898	25.0658426638157	0.571939884501575	6.46389507911343
"C134523038"	"134523-03-8"	"Atorvastatin calcium"	"DSSTox_44303"	0	0	0	0.984559100446549	0.746180616999941	2.33540925266904	2.75187104202648	4.29794924176947	2.06262161684062	1.60771704180064	0.289017341040462	1.20423599224017	0.277170377835329	0.458769803600138	9.22441253599131	4.26931023378246	30.9463414634146	1.9448161982393
"C134605644"	"134605-64-4"	"Butafenacil"	"DSSTox_34365"	0	0	0	1.94561650257853	-0.0117744024490757	10.9968580405598	0.286611164187253	0.00871915598569962	0.522691446113	5.51724137931035	0.988700564971752	0.239567427547544	0.407690382803436	2.25075283922241	2.92114383530091	22.3757722510996	22.4233534448734	43.8098380339223
"C134623"	"134-62-3"	"DEET"	"DSSTox_21995"	3.90299284026404	2.29979831808385	0	1.0665434064335	0.313828308107893	2.86738351254481	0.143363766694333	0.805270863836017	0.653764558167726	0.452488687782805	0.129366106080207	0.110702117854301	0.074741352431096	0.193844015151361	27.2353489628055	9.8589560344653	5.97651264947005	18.8862419638436
"C13463417"	"13463-41-7"	"Zinc pyrithione"	"DSSTox_26314"	6.84233369728125	20.2884233737596	8.01106516150665	0.112527364609121	50.1026934059145	0.0583544057576369	50.2918125729531	3.88607011070111	33.036952443103	137.65625	107.873527588345	0.136367855378032	0.139703558766924	42.6537041813745	3.40708332314143	15.8247255424467	107.111214888497	108.670149576375
"C135080034"	"135080-03-4"	"CP-100829"	"DSSTox_47304"	46.6756090206963	10.2892387936556	10.1329390061784	7.66532782711999	0.0210285988944965	2.16231395675373	4.27390061055723	1.32798318524888	1.0214642487513	0.209059233449477	0.594353640416048	1.13750352374994	0.37851162325373	2.10284494106159	2.33577140709475	2.67688723208897	97.8683161212705	20.9780929275112
"C135158542"	"135158-54-2"	"Acibenzolar-S-methyl"	"DSSTox_32519"	0	0	0	1.84280502133449	1.14604533108406	9.76723950402437	1.05644431029279	4.44972547734164	1.82207014542344	1.27591706539075	0.126823081800888	0.799597976512551	0.157962045511021	0.773078307377437	15.947097872376	6.54566002915669	3.92435381632414	3.32889446876574
"C135193"	"135-19-3"	"2-Naphthalenol"	"DSSTox_27061"	46.1559582571632	92.3632625126627	26.417515750175	62.0471712819324	141.776998374842	129.804434891706	178.67106560729	95.8185040772917	116.671621778125	12.2743501577595	18.1680680195111	3.04178012152292	2.50827953825905	26.9975787132759	16.5301244531047	18.4546325136995	5.17485459370047	13.4581783367954
"C135206"	"135-20-6"	"Cupferron"	"DSSTox_20352"	0	0	0	1.6338277617888	1.33633503622247	8.95964019410581	3.86640249080102	1.74912543728136	5.57605985037406	0	0.148588410104012	2.5293531510375	1.57572922094312	10.4644213174643	113.886011966904	29.0112166099288	7.46068283190303	8.80214439282144
"C135410207"	"135410-20-7"	"Acetamiprid"	"DSSTox_34300"	2.70851385277346	8.30833918762331	0	0.243253945805283	0.507690459024273	3.28559393428813	0.904242986320425	1.57638291774147	0.27449039283625	0.905923344947735	0	0.521008767216521	0.127317916504046	1.80441186617359	2.03194640027119	21.3465472049333	3.13313159984124	4.5559985845214
"C136458"	"136-45-8"	"Dipropyl pyridine-2,5-dicarboxylate"	"DSSTox_32544"	0	0	0	3.46294764212268	0.529278116286275	4.57616707616708	0.406450767011932	1.12136634175796	0.40595399188092	1.27186009538951	0.619195046439629	0.353761961708252	0.447390095162571	0.702849860601328	7.83475025557673	10.5959002669653	6.22475308140231	2.22095792968311
"C136607"	"136-60-7"	"Butyl benzoate"	"DSSTox_40694"	0	0	0	3.34526854219949	0.48895633114146	8.85542168674699	2.36459498322416	3.11929518215731	1.70712189917311	0.590551181102362	0.590841949778434	0.167386461298287	0.0938318355737726	1.13413162965128	50.4982038485097	14.6682500525494	4.28060802886859	3.16281470019738
"C13674845"	"13674-84-5"	"Tris(2-chloroisopropyl)phosphate"	"DSSTox_26259"	0	0	0	1.5011863478737	0.321880380267984	5.93374590462322	7.81020107896028	3.33123160992013	1.70340351224012	3.125	0.600150037509377	0.833665580403325	0.465394638609401	1.42022156451317	12.8791031723124	22.8305655450182	7.26100314224836	8.72947822022318
"C13674878"	"13674-87-8"	"Tris(1,3-dichloro-2-propyl)phosphate"	"DSSTox_26261"	5.76225190230405	4.08770117910319	18.4188215345485	2.32365574703721	-0.282699734549741	-4.49515905947441	0.0851643672287516	-0.334981655766468	1.45797196568375	1.04321907600596	0.935828877005348	1.09770217967378	0.326218300269473	3.12837679056488	5.71817911718505	1.70977380333352	60.1018984263516	5.11717837043444
"C136776"	"136-77-6"	"4-Hexylresorcinol"	"DSSTox_20699"	26.714711825267	43.0304715475887	35.1199040767386	18.9285834767061	18.713231243803	78.6523059928197	102.645755199454	57.8650156483875	73.4995131450828	1.7725258493353	8.69565217391304	2.0239177543703	1.61038983086027	10.9617226925912	58.3009336560834	21.5618793023953	60.3220044939784	6.96137398322137
"C13680358"	"13680-35-8"	"4,4'-Methylenebis(2,6-diethylaniline)"	"DSSTox_48191"	17.6347760060744	98.6858350291088	1.71441991545326	14.8339112976821	0.546448087431694	25.0333697366824	7.73663560568907	3.47835224884405	2.83021976211657	0.328947368421053	4.50112528132033	0.699563346761145	0.482506122123785	0.316813742799567	3.21409336080226	16.5269619556046	101.516747141042	42.909743363762
"C13684565"	"13684-56-5"	"Desmedipham"	"DSSTox_34518"	8.00230854017947	3.90776372306273	36.8977629415575	1.00596948927703	0.548138861845001	1.41242937853107	4.10442053739866	0.813644187138162	1.83617162972125	0.495049504950495	0.306278713629403	0.426726585057434	0	1.56878186874375	67.8249461106824	5.13261805626185	5.20316524468236	5.68595444777685
"C13684634"	"13684-63-4"	"Phenmedipham"	"DSSTox_24255"	0	0	0	3.08383766464934	0.489019294033965	2.75708872337646	2.56323204888814	0.414318859794498	2.36820029683164	0.145985401459854	0.134770889487871	0.22769582986296	0.0935085453653567	0.805764339207272	29.0890651645063	16.5573718588201	11.3856544017071	6.26186178980653
"C137268"	"137-26-8"	"Thiram"	"DSSTox_21332"	0	0	0	1.18224122751855	0.779596088578245	3.10997114459763	2.22156178022142	5.43903306078919	7.23192019950125	39.202657807309	30.8510638297872	0.219978411114748	0.253014692459682	4.47537720788526	8.369487284818	102.153981486458	3.75560169721792	34.4025046242724
"C137304"	"137-30-4"	"Ziram"	"DSSTox_21464"	21.7198331833266	4.07774110744407	21.2725308316644	1.33839254915488	-0.0210012338224871	-1.1017166282347	8.87149857383164	2.73773987206823	0.695771296730237	77.2277227722772	0.132100396301189	0.352791171774256	0.161725522878297	45.5341699546343	3.02156182614593	16.2282707262721	125.553772196467	110.291486648857
"C137428"	"137-42-8"	"Metam-sodium"	"DSSTox_29167"	0	0	0	1.08904548366432	2.66083988415391	-0.477297760372047	6.75040587883448	1.68173218414967	7.54455156295647	0.727566693613581	0.282087447108604	0.113577824303388	0.0879964809978341	1.18753026209664	14.2570867922662	20.0672223551321	3.89198706821336	4.97040489366667
"C13755298"	"13755-29-8"	"Sodium tetrafluoroborate"	"DSSTox_21477"	0	0	0	1.56780630289807	0.22875605815832	3.14940135346174	-0.459540459540459	1.27647229474906	0.554858312966511	0.495867768595041	0.591715976331361	0.237102341848009	0.0578372930941846	1.7282336682162	5.04785086435481	7.67141886778285	10.0039722690839	3.67629390237707
"C137666"	"137-66-6"	"Ascorbyl palmitate"	"DSSTox_41611"	0	0	0	5.68809567170521	-0.145091815914758	1.61838161838162	-0.770811921891059	1.33089336216935	1.31845286941299	0.312989045383412	2.29508196721311	0.242513631939624	0	1.98998345055671	0.768447859367729	5.82419213311625	9.31737552063639	4.21511946934873
"C138227"	"138-22-7"	"Butyl lactate"	"DSSTox_42196"	4.96190063516556	5.14135563480182	14.6568821896073	1.46854001221747	0.758928571428572	1.84063937999516	1.67116981887321	1.67122455180796	0.048255894112781	86.5842894969109	-0.0608642726719416	0.0419417630733136	0	0.822041984685991	3.26466526796505	31.2433534156876	5.74989693619923	2.44155253365794
"C138261413"	"138261-41-3"	"Imidacloprid"	"DSSTox_32442"	3.29442046063193	17.7342212843837	0	1.09325667970407	0.673255405608789	1.70222968113163	0.790785628330755	0.143843498273881	0.975993339192376	0.298953662182362	0.278940027894003	0.436021402234762	0.281626535034832	1.20673780620614	3.93912467044299	12.8694254746662	6.86165987314869	8.02126516179936
"C13826352"	"13826-35-2"	"3-Phenoxybenzenemethanol"	"DSSTox_27756"	7.06066226985436	-42.0353079856058	8.9318068429483	44.8334018032822	41.0478453594114	115.337940333727	159.504887183703	83.3639143730887	85.2962456789131	0.284900284900285	0.309597523219814	2.71462900904666	2.22527580866885	25.0312747229066	78.2884766416947	18.0904425538857	5.27569210662429	2.75617518134045
"C138863"	"138-86-3"	"Limonene"	"DSSTox_29612"	0	0	0	0.572927058689393	0.328215398308856	5.37325676784249	1.34630614322887	1.58921443097085	6.10479089889441	0.328947368421053	0.42583392476934	0.205752602393215	0.0536461053919525	0.965621037252263	6.16400118154991	6.03293747120942	5.87630783481719	8.62401371976641
"C139026"	"139-02-6"	"Sodium phenolate"	"DSSTox_27072"	5.96652322362971	13.5860457285664	17.7453891394964	1.30216392506011	1.23833621162831	8.18442532539157	0.825435646591256	2.613652161824	1.50773072121387	14.8601398601399	55.858511422255	0.303144619207942	0.143280229224396	0.657789424772985	9.03505708746129	32.4644128461417	4.47556126587082	12.8273221484712
"C139139"	"139-13-9"	"Nitrilotriacetic acid"	"DSSTox_20939"	0	0	0	1.45629958162822	76.8648925843849	0.40217648450438	-0.204708290685773	2.41460541813898	1.31132508023842	-0.139275766016713	0	1.19183807084742	0.277278337175998	2.63514268083898	3.30236360028415	8.33269750495679	2.78153276424129	11.1942092554071
"C139149556"	"139149-55-6"	"SB202235"	"DSSTox_47318"	0	0	0	1.12699135184342	0.0514975333427873	-1.55544405418967	1.72389823439455	-0.739302516615639	-1.64081632653061	0.56657223796034	-0.129954515919428	0.263034405833794	0	3.18451094351578	21.3295113182391	14.2413881939892	7.50974232608728	1.67587082160945
"C139290656"	"139290-65-6"	"Volinanserin"	"DSSTox_47363"	0	0	0	0.562587904360057	1.834451901566	10.1970865467009	18.0292070424457	1.26427761792658	9.57437982245084	6.89655172413793	0.847457627118644	0.575154882794569	0.263034405833794	1.35417657021416	3.82021333376096	11.0393631525984	2.99213514933543	16.9533842110736
"C139340560"	"139340-56-0"	"Darbufelone mesylate"	"DSSTox_47246"	12.5553937162055	9.92564124830612	15.6776685393258	0.672773378874915	0.48394361338176	-3.94190871369295	8.51643672287515	2.67985324613176	11.5371993811823	1.4903129657228	10.1604278074866	1	0.137503523749935	12.7177723787399	2.70749699729713	3.77575366685956	105.746477870973	97.5468532732998
"C139402"	"139-40-2"	"Propazine"	"DSSTox_21196"	0	0	0	0.398026875318932	0.0389196914497904	1.214405360134	0.941275639224501	1.06163598869625	0.00667601308498491	0.329218106995885	0.130548302872063	0.610908604032539	0.263034405833782	3.03278857843411	5.66473366291574	3.03417392015738	3.68724129736531	2.74315657704758
"C139877"	"139-87-7"	"Ethyl diethanolamine"	"DSSTox_41955"	0	0	0	0.433948093131937	8.53501380726475	2.29901889002782	3.97213699311717	1.28760756233905	1.86975430043489	0.310077519379845	0.306748466257669	0.0825778890347104	0.0128969940144491	1.02766763970175	0.981583383368712	0.696976439756515	15.0301641037374	7.97998838417135
"C139888"	"139-88-8"	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	"DSSTox_41530"	0	0	0	0.693421990026122	0.881843014481184	1.11139829413285	2.20791990703495	0.152335815842925	1.47413415168786	0.600150037509377	0.133868808567604	0.522278313362277	0.297610616178419	1.06020751172585	13.6903015527506	14.4249176531047	3.47978792857866	4.02722559084012
"C139968"	"139-96-8"	"Dodecyl sulfate triethanolamine"	"DSSTox_27076"	0	0	0	0.882101405009163	0.582983193277311	1.06563332526035	1.0207145001501	3.51463587562038	0.0896180890665932	94.7043248014122	0.304321363359708	0.241400536103534	0.0222112790901541	0.786404067563919	8.93654621182003	49.7212711105153	7.41377197830694	10.1117167623132
"C140089"	"140-08-9"	"Tris(2-chloroethyl) phosphite"	"DSSTox_26258"	0	0	0	0.381987410555765	0.342122338229222	4.22597864768683	0.46056419113414	0.620727587019722	1.75128250486467	0.482315112540193	0.578034682080925	0.332430758734908	0.0970425169316189	0.255539091775226	3.77346480687856	3.21288511155313	8.81458476516816	12.0458590112216
"C140103"	"140-10-3"	"Cinnamic acid"	"DSSTox_22489"	0	0	0	0.272001403878214	22.8272456937665	2.10042664916311	43.348623853211	8.04853888063398	71.6725300498388	2.50836120401338	95.3604568165596	2.33233301081971	2.29875081942811	0.801532170026944	8.64167789327056	74.7325985076862	6.61424886157114	14.3074218686004
"C140114"	"140-11-4"	"Benzyl acetate"	"DSSTox_20151"	15.1976897865522	9.56016964492336	7.96490043874452	0.352225424271534	0.0887553765276165	2.3371344699108	1.68947941125938	2.39357673079836	0.505787704945857	0	0.146735143066764	0.197276154997877	0.116836779354029	1.63395284295203	2.40275989561767	25.4456492540363	5.26344071682392	10.6954055329697
"C1401554"	"1401-55-4"	"Tannic acid"	"DSSTox_26076"	0	0	0	2.65908107105312	0.653888119355862	29.5627583206439	5.85571989133716	12.7099893468819	1.15483319076133	0	0.760938490805327	0.465010990616149	0.324206874449576	4.12805825786172	0.253997986287041	9.10954246327379	27.229723350355	12.5934259530336
"C140318"	"140-31-8"	"1-(2-Aminoethyl)piperazine"	"DSSTox_21997"	0	0	0	6.19773348964439	7.17339667458432	1.73187940987812	1.96412352406903	-1.33395740697402	0.3662502139312	1.21951219512195	-0.158730158730159	1.07342387888991	0.754559654180946	0.579272101755307	9.21090975156644	104.335624654285	10.231566743257	4.54210508111768
"C140385"	"140-38-5"	"4-Chlorophenylurea"	"DSSTox_41512"	11.6778882938026	6.9834504496007	9.10399004433383	1.33254513657972	0.64586604765481	1.93067630123066	2.21636790561824	1.63611574003939	-1.06249363522183	0.154083204930663	0.146735143066764	0.346725134586083	0.0851327814584352	0.923954663876832	5.91351542535779	8.14546064316239	7.17471378484342	8.4257186323289
"C140567"	"140-56-7"	"Fenaminosulf"	"DSSTox_40371"	0	0	0	4.14746543778802	0.656251614792359	8.69040434520218	2.7042413891261	7.52062868369352	3.00568643379366	2.22588623248145	1.42146410803127	0.421199531261035	0.351137065568902	0.188659553351576	4.25226719997407	9.95048574768728	4.502179056331	1.71031748970018
"C140647"	"140-64-7"	"Pentamidine isethionate"	"DSSTox_23796"	24.9332711943397	18.0407280074791	44.5305127398553	1.92428625330147	0.30915017305689	8.30394357165758	2.19184189018501	0.0355492356914327	-0.415627597672485	4.65116279069767	3.75886524822695	1.54458477028461	1.80691727757043	4.07547887857931	2.12433582041301	33.3346191467273	56.8559490629435	62.9649632944917
"C140669"	"140-66-9"	"4-(1,1,3,3-Tetramethylbutyl)phenol"	"DSSTox_22360"	59.426323950299	77.2150964790816	54.5140326845274	101.755920953387	97.5014128915197	160.587515299878	142.944302302696	93.6248576977165	84.9361461934664	105.053852526926	94.1005098324836	3.54688359678459	2.73504960890088	73.1258954060023	79.7083410960446	96.8823148497848	34.3990981303995	51.8822971603792
"C140670"	"140-67-0"	"Estragole"	"DSSTox_20575"	0	0	0	1.78422467327834	-0.0652973999762552	5.73737373737374	2.3913942904427	0.542916235780764	1.91196087149844	0.151285930408472	0.142045454545455	0.165808892970078	0.0141142859324035	0.994906235997661	38.4305165795027	12.0968696085365	14.4125920974125	5.91112929360646
"C140954"	"140-95-4"	"Dimethylolurea"	"DSSTox_25141"	0	0	0	1.49803802545147	1.56396373509471	1.69890664423886	2.61922785768357	1.64542571650811	3.14551244557094	0	0.264900662251656	0.299540173910326	1.6455561367081	1.72601194065871	9.80368085545902	12.9273117974153	8.35061705775678	4.33846153749115
"C141048"	"141-04-8"	"Diisobutyl adipate"	"DSSTox_36690"	2.84286428636946	0	0	3.15683561816124	-0.137773446688397	10.5482526450785	1.47856452931124	3.89264130821187	1.12681259813429	2.49169435215947	0.780141843971631	0.70765978987443	1.10394855236239	1.44359459993178	1.51107263878706	9.02627623448926	4.33327354016502	2.54277252125364
"C141112290"	"141112-29-0"	"Isoxaflutole"	"DSSTox_34723"	15.4466673455808	13.7494589599665	0	0.0293743268383433	0.618817610839339	-0.145815106445025	1.58394931362196	0.620906693884494	0.205013512254216	0.966183574879227	0.137362637362637	0.138543748278024	0.409245197098172	1.31435278919573	2.91907819742656	10.347574865604	4.84942666292173	10.7935729301719
"C141220"	"141-22-0"	"9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-"	"DSSTox_41567"	9.28095608219136	5.55305658053621	52.3829891237932	4.43778776280024	0.747676294798082	2.16754540128881	25.886022115112	5.05649717514124	2.61604035506198	0.311526479750779	5.23489932885906	0.985468681203511	0.284388809593365	1.59560254244075	6.27723714674003	14.1005434493795	78.0069038346977	12.4385366613668
"C141322"	"141-32-2"	"Butyl acrylate"	"DSSTox_24676"	0	0	0	0.634276561665776	1.07130312609765	1.454898157129	3.29453784100006	0.18792282635931	0.845253576072822	-0.35650623885918	0	0.0936440633919002	0.557421808141498	1.18825989233922	18.7374639725752	28.3906469452214	10.703414232826	5.24309328765691
"C141435"	"141-43-5"	"Ethanolamine"	"DSSTox_22000"	0	0	0	0.417793069550258	1.55263527100968	9.77808599167822	1.92418150488225	7.71630274175013	3.17618857371155	0.443786982248521	0.41958041958042	0.571653096666058	0.11349535234022	0.402004007399416	0.752030361791279	30.955990563927	5.45061185091577	2.94426652925412
"C141517217"	"141517-21-7"	"Trifloxystrobin"	"DSSTox_32580"	8.44522628067146	0.569886312817422	0	2.8313555072706	-0.452732740585774	9.15380521554018	-0.309652304697867	1.29429892141756	-0.0213392514190617	0.906344410876133	0.529100529100529	0.778695173921157	0.285973822196432	12.9540007004909	5.21451419002118	89.7059003002733	57.4780341797818	109.478935138215
"C141662"	"141-66-2"	"Dicrotophos"	"DSSTox_23914"	0	0	0	5.32524147363022	0.356340994218166	-0.587851077726979	0.0928074245939676	4.13947097217451	2.54328005610719	0.425531914893617	0	0.322351253753056	2.23431140250402	1.55014625693544	4.18666423146556	14.3022239099496	4.53347207314226	5.39869751530406
"C141797"	"141-79-7"	"4-Methylpent-3-en-2-one"	"DSSTox_29170"	0	0	0	11.6307135314527	54.9427208468262	15.5038759689922	103.079996670274	67.6454552535244	85.1052030663839	92.8077455048409	100.840336134454	0.37434908220292	0.300288521664254	0.5912059729206	6.59760996391678	93.3921248197179	-5.78618368328258	8.16222991876215
"C142041"	"142-04-1"	"Aniline hydrochloride"	"DSSTox_20091"	0	0	0	0.649989075813852	0.705243330851111	1.1935094542041	3.01523554535603	3.18742031449214	8.29140589847425	0.153846153846154	0.291545189504373	0.300462812411262	0.0655195911192942	0.788748278460793	5.93696399466773	6.4128262892892	23.2063268836135	4.9531671775073
"C142165"	"142-16-5"	"Bis(2-ethylhexyl) maleate"	"DSSTox_27094"	0	0	0	0.71663379355687	2.76361537510135	10.8752166377816	4.69826979884653	1.62802170695609	1.28128064791673	0.152788388082506	0.423728813559322	0.739614810543911	1.1362664482425	1.37220306503195	11.145042078017	0.0241617719206415	16.8776635581542	12.2118149259085
"C142187"	"142-18-7"	"1-Monolaurin"	"DSSTox_41275"	14.9724020730046	5.67304028542727	36.1677091719824	-0.324711265266964	-0.137946890447178	-0.45493318168894	1.04631481766426	0.457456541628544	0.26115589871693	0.290275761973875	0.136054421768707	1.1289285169153	0.129462268431205	0.767012936815278	3.20608748370547	0	39.1955335940667	2.78609626871135
"C142314"	"142-31-4"	"Sodium octyl sulfate"	"DSSTox_36226"	0	0	0	10.0937918713711	0.651465798045602	3.168	0.891719745222929	7.99296217167274	1.06212543760755	0.46875	4.51505016722408	2.32999171027345	3.33585622501796	2.73603770803064	6.28966240367514	16.5087853552627	5.16886547853355	7.3618481028827
"C14233375"	"14233-37-5"	"1,4-Bis(N-isopropylamino)anthraquinone"	"DSSTox_41250"	0	0	0	1.44724807661269	1.89052085176665	1.46797153024911	3.37363270005757	2.53791152667557	29.4604634707235	1.92926045016077	2.60115606936416	0.601729008160285	0.176396053114863	1.02010906662985	5.24254457288948	8.30987815312777	2.165493580827	30.3496436702468
"C142459583"	"142459-58-3"	"Flufenacet"	"DSSTox_32552"	0	0	0	0.84631008801625	0.665380073163004	7.56568534346312	1.30243572395128	3.0250569476082	1.48987774092957	2.30061349693252	0.568181818181818	0.424255534336933	0.408478998744339	3.70461574275377	4.6980821325584	4.10803400378035	17.7936900025735	10.7418435670808
"C142621"	"142-62-1"	"Hexanoic acid"	"DSSTox_21607"	0	0	0	-0.0980728681410289	0.252591400666093	2.50255362614913	-0.400256163944925	2.99212598425197	2.27428180574555	0.448430493273543	0.411805078929307	0.631484355093979	0.111535750478291	1.23768308186215	7.98732622540957	22.1512205491391	7.06860706860707	9.38826120968626
"C142870"	"142-87-0"	"Sodium decyl sulfate"	"DSSTox_36229"	0	0	0	0.625114071910933	0.235508185205019	1.03142822473001	0.1961745953899	-2.49054224464061	0.0823696089090973	0	0.300075018754689	0.251361193601575	0.44053156902105	0.7576167384601	3.77100584870553	1.88301206911514	9.03675465754694	9.47254694863182
"C143077"	"143-07-7"	"Dodecanoic acid"	"DSSTox_21590"	12.6208270808567	6.61008174974655	50.3034922394679	1.26628643189786	1.06169723067785	0.460050699464838	0.372923494180134	-2.09603925692254	0.533234126984127	0.322061191626409	0.277392510402219	0.216889141433221	0.0999338515019722	1.13373487532654	2.21805033000336	43.7971630974746	48.4697870380576	6.91550410353616
"C143088"	"143-08-8"	"1-Nonanol"	"DSSTox_22008"	0	0	0	8.44588428545355	0.812474448225627	5.83667030700158	3.2000980872977	3.87767969735183	1.94062798589832	1.31578947368421	0.450112528132033	0.54759753487253	0.157049522788393	0.460166890534009	2.70487575174566	13.7066442675623	9.6522988006136	5.62214280148138
"C143226"	"143-22-6"	"2-[2-(2-Butoxyethoxy)ethoxy]ethanol"	"DSSTox_21520"	0	0	0	2.92425580673653	0.0819100945022436	1.11453640028456	0.654946570148225	0.877754411630247	-0.130148791726758	0.311284046692607	0	0.183962834842595	0.0450226783967837	0.588299542444347	2.48924176381565	15.080774413779	5.9501986351451	1.17045231370789
"C143390890"	"143390-89-0"	"Kresoxim-methyl"	"DSSTox_32558"	16.3605062013268	26.5661926234247	30.4324195344398	58.2815835435669	51.43308108746	50.7850048061519	76.3824035389531	40.8597662771285	46.8407000889944	39.5121951219512	21.4336408800568	1.78781668282151	0.915683714066525	10.612345894584	1.88206686373736	37.1821994278291	69.0763124004857	18.5988933177554
"C1434544"	"1434-54-4"	"Pregnenolone carbonitrile"	"DSSTox_37262"	26.972423369559	13.3630188308418	66.1077426624457	7.57409962414958	0.413456676284244	5.99798387096774	1.97467690087253	18.7169356458849	16.8066041063995	6.29660314830157	0.436999271667881	0.327122590451142	0.199821192423383	4.72348532018726	23.5823787127235	0.72844516732086	3.33708981616957	8.31010312304373
"C143500"	"143-50-0"	"Kepone"	"DSSTox_20770"	5.19858684551903	70.0611865342738	80.7479765559587	1.05097804540524	1.22051688890245	17.47588687265	60.8084824387011	9.37579943719621	10.1759706820838	67.9389312977099	83.3806818181818	3.36783807912953	1.99292754819635	28.2198353490143	45.008105709959	14.6945977233239	69.7913037543075	81.3482075001197
"C14351667"	"14351-66-7"	"Sodium abietate"	"DSSTox_42399"	22.4392915829834	7.79122934635769	23.4746181666797	2.8052866030998	86.5835608328126	1.36288752433728	7.2336989435435	1.38048908756245	0.201537147736976	0.151285930408472	0	1.79471799529308	0.484488285421288	2.76470812144065	2.06360337182144	7.04604126713244	93.663025601943	3.10075159565892
"C14371109"	"14371-10-9"	"(2E)-3-Phenylprop-2-enal"	"DSSTox_24834"	0	0	0	0.0278060988043378	0.67671850884483	-0.363636363636364	1.5142738932561	1.78386763185109	1.09381947532237	0.151285930408472	0.142045454545455	2.10081452778429	1.15763862811448	7.25131703606833	78.5045460314942	13.4804741097268	4.48456431867197	11.3905112633973
"C143748"	"143-74-8"	"Phenol red"	"DSSTox_22408"	31.785768313867	45.1842078676821	81.3928265917145	4.44075041557825	3.11950407244334	4.26466787283536	13.5246267989631	6.46580907244414	11.5519508987286	12.3030757689422	1.20481927710843	2.09075013151756	1.35536999362292	2.45791776466874	29.2836105880131	29.6193708913372	4.81859406291888	19.2388883052833
"C144490"	"144-49-0"	"Fluoroacetic acid"	"DSSTox_41981"	0	0	0	0.968128592064419	0.619698619456655	1.86877919967499	1.00698020368463	3.2118591723286	0.943312535115476	0.551615445232467	0.599250936329588	0.554174936067101	0.040068963462335	0.360350025062983	1.91218117026445	23.0770279394586	4.36880231191236	18.1018265015611
"C144550367"	"144550-36-7"	"Iodosulfuron-methyl-sodium"	"DSSTox_34673"	0	0	0	6.52222974497856	0	9.08515352959797	2.0297699594046	2.75170842824601	1.54927486016928	0.460122699386503	0.426136363636364	0.123331713494059	0.228829683114155	1.61922048189353	4.09363093854333	12.0150927806491	3.59021951209388	7.57797654437838
"C1445756"	"1445-75-6"	"Diisopropyl methylphosphonate"	"DSSTox_24051"	0	0	0	0.678707005636719	0.327834179357022	4.10582010582011	1.93959545580493	0.838902317645388	0.112026886452749	0.698215671062839	0.295420974889217	0.472867765130364	0.0997401516238118	1.66095149430919	2.23480607749416	25.7225554196139	11.9486932194566	1.59797841807741
"C144627"	"144-62-7"	"Oxalic acid"	"DSSTox_25816"	0	0	0	1.98968978927376	34.262960363714	2.07618113454307	70.5077531164488	6.17805065234075	64.3698859507788	0	106.451612903226	0.372708245032047	0.0744224149223322	0.516326512487427	17.2072995533386	10.708308958638	7.08591673891792	5.49544738224902
"C145701219"	"145701-21-9"	"Diclosulam"	"DSSTox_34528"	0	0	0	1.22950819672131	0.343355034027838	2.10691823899371	1.30969704987432	3.51768614422513	0.527850577682624	0.96696212731668	0.147058823529412	0.203310246302578	0.309923141660322	1.54906196609886	3.40029109494564	10.8339012714317	4.64453010905764	4.33134285383661
"C145733"	"145-73-3"	"Endothal"	"DSSTox_24081"	0	0	0	0.72667604313174	0.289650300247262	0.314195944015999	-0.764296437832673	1.17708605806958	0.0248900688625239	0	0.564971751412429	0.474779582970732	0.58474366188253	6.27875521851571	19.5913961400166	3.41683637008193	12.6574628180986	2.69698723416359
"C145742285"	"145742-28-5"	"CP-122721"	"DSSTox_47251"	0	0	0	2.16324990567224	0.877045599650526	10.9329913433793	3.871015677242	2.68396729470316	1.33924448138912	3.15614617940199	1.34751773049645	0.84799690655495	0.37851162325373	0.638026674127505	3.29805140565644	2.82832043176833	6.46488816404145	83.6087085139679
"C1459934"	"1459-93-4"	"Dimethyl isophthalate"	"DSSTox_27402"	0	0	0	0.906567083507359	0.00310942050766461	1.58592599012046	1.47923721261807	1.2030534351145	0.233488992661775	0.155038759689922	0.289226319595083	1.01494313895659	0.769956070107286	0.423543057110398	2.8148389892732	24.7187431357608	6.38162285688963	10.6301505946606
"C1461229"	"1461-22-9"	"Tributyltin chloride"	"DSSTox_27403"	7.3735839147723	3.11945182163661	31.7413740766974	-0.696796040635583	-0.547219120768561	-5.69254185692542	-1.00502512562814	-3.8176803599942	-2.71095371840274	53.5962877030162	0.831600831600832	0.239586647161757	0.453708950987736	39.9769836523711	2.72656679189468	3.37069951927737	87.5205800434981	115.607461136901
"C1461252"	"1461-25-2"	"Tetrabutyltin"	"DSSTox_22153"	4.25691296317822	4.5151418477426	5.11847882231405	4.81545636242505	-0.0194577023887193	4.42183163737281	0.254806578642575	1.43799695482998	3.51305893180159	26.7949666913397	0.381679389312977	0.875955215887103	0.611071760800929	3.72155538564381	2.57018068158722	9.33364515104381	57.5124142409501	110.081923414475
"C147240"	"147-24-0"	"Diphenhydramine hydrochloride"	"DSSTox_20537"	0	0	0	2.18645204560697	0.700425537022922	6.99533644237175	18.2480620155039	0.550426136363635	3.28501761040369	1.4365522745411	0.27027027027027	0.485993793965853	0.0929933901546832	0.41927081539453	1.53601733132513	9.84307245270585	12.8743124872683	15.4642684867806
"C14765301"	"14765-30-1"	"2-sec-Butylcyclohexanone"	"DSSTox_41818"	0	0	0	1.64544098250773	1.0167710094594	5.68009438732513	2.71307207454097	4.48521916411825	3.81059570705041	0.142450142450142	0.464396284829721	0.230262908114003	0.0845003451896305	0.796677629041702	5.34582708651935	13.3936964390448	6.22299520686675	3.26797346425543
"C1477550"	"1477-55-0"	"1,3-Benzenedimethanamine"	"DSSTox_29649"	3.65380276490135	21.5031212218411	38.0643747260317	2.04706865339089	0.0439867522252119	4.93096646942801	0.641768428558694	3.06316590563166	0.297154961899438	2.89219982471516	0.288808664259928	0.175414254987681	0.214035407965227	1.05527734691269	2.65536760952596	0	2.44397718550044	3.63105879499141
"C147819"	"147-81-9"	"Arabinose"	"DSSTox_41610"	87.8474878857434	9.84484059611394	2.53212823047592	0.348220207826664	0.670836611941692	4.69361147327249	0.606740427267629	-0.0312940071976217	2.59093647924397	0.99009900990099	0.153139356814701	0.0583829101348298	0.126815704647583	0.683996783550324	2.54123746111896	11.9899838418166	2.33718287670612	5.68310842857357
"C1478611"	"1478-61-1"	"Bisphenol AF"	"DSSTox_37717"	104.511912181377	100.711213665073	98.7369655054401	174.072846874222	218.135696314523	231.457880012434	304.71452899525	140.945154346677	181.214599761544	107.680722891566	102.170767004342	3.41843730789139	2.57711620725749	31.3180522607435	93.3065365779256	143.893997997831	95.0980981076095	40.9968469688488
"C14816183"	"14816-18-3"	"Phoxim"	"DSSTox_34324"	0	0	0	91.2584228737935	76.1505327590116	143.636363636364	134.823569715656	38.3463649975046	51.8901471634115	41.0015649452269	28.3606557377049	2.96494222986672	2.33276237658563	6.36440102835075	48.8762485890754	63.8495419214576	3.39487224626536	11.7909138805189
"C148243"	"148-24-3"	"8-Hydroxyquinoline"	"DSSTox_20730"	4.40767716535433	2.78761316585746	17.4626362512642	1.58753599645573	0.103722772772147	1.72484599589323	0.146842878120411	2.72654370489174	0.56159288162789	0.424929178470255	0.155038759689922	0.620218817723949	0.586425998460773	8.7118976308099	0.247885327959901	5.2647857733333	1.20801926620609	2.48276800624999
"C148477718"	"148477-71-8"	"Spirodiclofen"	"DSSTox_34928"	0	0	0	3.89740324707809	0.342243464920045	0.578990901571547	1.59962727131542	0.0941796948577908	0.340853757506897	0.285714285714286	1.33982947624848	0.38122138981437	0.232653623228793	2.66995141432778	33.7070942154354	4.21943649495536	6.57179722106053	8.71741941174693
"C148798"	"148-79-8"	"Thiabendazole"	"DSSTox_21337"	0	0	0	2.2843420971615	1.04832977967306	-1.47715561662659	-0.248788791410238	-0.378640776699031	0.175031255581354	-0.166112956810631	0.596125186289121	0.221341973138469	0.0752515542138079	0.898096672526161	41.8912276469304	3.57260987207717	3.22805126246237	4.33459191521657
"C1490046"	"1490-04-6"	"Menthol"	"DSSTox_29650"	33.4562274064261	15.7945398152763	18.0360854965087	1.24384744077783	1.53828088304368	1.53711023276241	2.35608762098828	0.614836522438659	3.03476081508118	0	0.287976961843053	0.129091283933734	0.0509194636931712	0.375303891448011	2.86150736669653	13.2289346109201	1.93345850713113	1.14108850865215
"C14901076"	"14901-07-6"	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	"DSSTox_25451"	0	0	0	1.35495479870791	-0.0936790460615109	3.07821698906644	1.46858440575322	0.388918805720099	0.68889322155066	0.443786982248521	0.662251655629139	1.2073889368265	0.302927132957302	0.31934316071225	3.0871209785884	13.8112819128773	0.26680872792469	7.52129373045583
"C149062759"	"149062-75-9"	"PharmaGSID_47259"	"DSSTox_47259"	0	0	0	0.478142076502733	0.941457351366652	6.44654088050314	2.47387220531816	-0.683994528043776	-0.25469713188882	0.32232070910556	0.294117647058824	0.925999418556223	0.37851162325373	2.8419634476265	94.4307928161198	9.84088193518974	2.08505293625155	4.36975133677835
"C149304"	"149-30-4"	"2-Mercaptobenzothiazole"	"DSSTox_20807"	10.9236429532413	11.079357903499	17.1883540953422	1.61574758114485	0.380640016850467	15.4114178504422	3.12865296018703	3.4764184258024	1.90287583950405	0.165562913907285	0.0743494423791822	1.35965259600242	1.32287505589339	0.12322541455941	2.22087338401087	3.19842651106941	1.65206335389989	3.50167986505551
"C149575"	"149-57-5"	"2-Ethylhexanoic acid"	"DSSTox_25293"	0	0	0	2.15866616269791	0.197974443299138	11.9636260301222	1.55885232321711	3.64909145070003	1.70675876470825	1.75953079178886	0.829875518672199	0.269300293733435	0.0662336984000838	1.28988467837743	1.97412495889234	19.6854329443595	5.05891660635917	5.91666766718155
"C149877418"	"149877-41-8"	"Bifenazate"	"DSSTox_32525"	0	0	0	5.28099602282552	1.34411256479882	1.52977870191594	4.01032841119987	5.210173083716	3.87187871581451	2.48447204968944	2.63665594855305	0.859570320806734	0.309988430824858	2.86376387598699	4.15196439412794	5.56422159985119	99.5239868859987	69.1600669315631
"C149979419"	"149979-41-9"	"Tepraloxydim"	"DSSTox_34252"	26.1459877001956	4.42444890338043	0	4.02473964254855	0.331917153478492	3.88751033912325	3.18372418077341	3.27745338105105	4.17140074663204	0.142857142857143	0.121802679658952	0.425255858836065	0.26629965439676	0.977576706557931	4.18217653644543	15.7219031480722	6.75670882997055	7.29942521156749
"C150130"	"150-13-0"	"4-Aminobenzoic acid"	"DSSTox_24466"	0	0	0	0.4578010780477	0.523612551705177	7.35112936344969	2.31685429923315	0.980130089993762	1.48785646561155	0	0.155038759689922	0.0666547388352573	0.0316764763637123	0.622796438919469	3.57299849767445	31.0296307174349	3.14904349658387	4.117907774007
"C15046750"	"15046-75-0"	"Sodium 2-methylbenzenesulfonate"	"DSSTox_44553"	0	0	0	5.0646649181514	0.869618283342996	1.94539807094981	1.15536637275768	2.21284215911998	1.20999589296433	0.15785319652723	0.420757363253857	0.210436278518645	0.0241105641880016	2.06446399899533	2.1563001350453	24.7676505491969	4.28218448648843	3.85935118462637
"C150685"	"150-68-5"	"Monuron"	"DSSTox_20311"	0	0	0	2.23028851551098	0.0725982092441722	2.00803212851405	-1.07270560190703	-0.137570504883753	0.972117558402411	0.158478605388273	0	0.283686202510507	0.0411888043098701	0.605020096947538	6.34749018794614	5.66970995464378	8.36525198371443	6.27427458302274
"C150765"	"150-76-5"	"4-Methoxyphenol"	"DSSTox_20828"	12.1643952504567	20.457817376422	18.4523265380748	2.81829909695346	4.09293529650142	4.37119312074525	4.4737557791678	3.42554106349434	2.98575463961364	0.150715900527506	0.121802679658952	0.181528365945008	0.020705761577944	0.247497274722963	3.96291023851216	28.6857624359936	3.10810721413838	14.9295945235298
"C150787"	"150-78-7"	"Hydroquinone dimethyl ether"	"DSSTox_22014"	0	0	0	1.21960090197124	-0.0205495537811179	2.43009808227199	0.63678043810494	0.62632879388611	2.08673858559442	0.166389351081531	0.143988480921526	0.290079228848027	0.0603292442154477	0.606993780778019	2.14774052428775	13.6274358680413	2.28304064752718	6.64191024047184
"C151053"	"151-05-3"	"Dimethylbenzylcarbinyl acetate"	"DSSTox_41877"	0	0	0	1.71239775978081	0.357463932531358	3.07561597281223	1.14422941093375	1.12832856927937	1.61887431762565	0.278164116828929	0.464756003098373	0.523591308061341	0.291776178596632	0.666644887771329	1.30213794940972	22.2392695368927	5.7011790031647	5.24439570582951
"C151213"	"151-21-3"	"Sodium dodecyl sulfate"	"DSSTox_26031"	18.8145710714001	7.92668336579264	25.6672097988538	0.962460217032862	0.0440637337845458	2.75132275132275	-0.651149903020226	2.10436513578843	0.0480115227654638	0.543056633048875	6.794682422452	1.27159641933722	0.141229568441844	2.55960182370034	11.8384887659356	4.62561823142541	21.3178064404621	8.32311813577056
"C15214898"	"15214-89-8"	"2-Acrylamido-2-methyl-1-propanesulfonic acid"	"DSSTox_27770"	0	0	0	1.49678936420367	1.04964452445611	4.20140591793363	2.93402249923989	2.57099002302379	2.64429911856696	0.473559589581689	0.841514726507714	0.170288543443909	0.291404347799398	1.05967086504487	4.97713498949761	4.02131046811527	7.73909363261646	10.2569722650222
"C15299997"	"15299-99-7"	"Napropamide"	"DSSTox_24211"	0	0	0	1.75372430699604	0.052009686804167	7.48039838948929	2.72262026612078	-0.565055762081785	4	0	0.571428571428571	3.83472526767318	1.25416759274143	4.29430319072707	3.29143964391421	48.7455332431118	9.59508016706203	49.9148765916115
"C15307796"	"15307-79-6"	"Diclofenac sodium"	"DSSTox_37208"	6.51709900787306	6.96141320438173	18.0678775788755	0.364641308102714	-0.47309585278071	-5.46558704453441	0.795880149812735	1.33333333333333	0.312476750241796	0.434512725015518	0.264900662251656	0.516967780399312	0.176717428786783	1.18830174368256	13.1434392508688	37.0499831229923	56.4291639392832	6.74719755165521
"C15310017"	"15310-01-7"	"Benodanil"	"DSSTox_41623"	0	11.8710045286577	0	2.22328648529168	0.466914498141264	3.45419437888865	-1.07059217129475	1.97939061457484	0.436604959832344	0.459418070444104	0.275103163686382	0.826446068637707	1.08426547876188	0.516291151556167	11.34270690399	13.7622172640997	4.20890201882781	2.17125859049884
"C153233911"	"153233-91-1"	"Etoxazole"	"DSSTox_34586"	3.45205006885449	12.4612822450166	0	1.6249153689912	0.0748912636460524	1.74105729661285	2.52029769959405	4.06378132118451	1.608671979409	0	4.82954545454545	0.325904197047583	0.369910349715529	2.17350085990517	2.41045301709739	4.1561472440562	58.7897409862247	17.4496590912574
"C153719234"	"153719-23-4"	"Thiamethoxam"	"DSSTox_34962"	0	0	0	3.11371993387983	0.517792222099813	3.09306821320078	1.62973065121036	1.17703088855627	2.48101265822785	0.886262924667651	0	0.454831296965673	0.122398235552899	3.41125506993424	17.7412161228774	11.0806784674197	3.47518463004005	7.92139585145456
"C1541817"	"1541-81-7"	"4-Dodecylmorpholine"	"DSSTox_42171"	0	0	0	1.6021883548261	0.983652368310744	6.52982681205901	6.18755676657584	5.66346828925813	1.42050316618176	10.2787456445993	0.317460317460317	0.491978472099832	0.342121667758559	1.34517757995122	2.83622217275878	10.7832636313187	7.13452849438858	3.40384754312485
"C154427"	"154-42-7"	"6-Thioguanine"	"DSSTox_23652"	12.8776687824582	1.36248478052257	9.53883422555851	2.37054368573364	0.106609808102345	7.86671246994161	4.7007987429619	-0.728155339805825	0.232184318628326	-0.166112956810631	0.596125186289121	0.624276776627691	0.910010635318601	1.77137813506245	1.74938037374535	1.58464769120031	65.9053417320726	20.4142887293447
"C15499271"	"15499-27-1"	"4-Butylchlorobenzene"	"DSSTox_48192"	0	0	0	0.984872136917094	0.981436682919492	5.31290276385508	3.08985811875985	4.73509086255439	0.923655386627432	3.01953818827709	0.291332847778587	0.611014733900481	0.258045253746116	0.87895848540247	2.72167149338325	11.4473180739122	6.97762753779049	1.73111348046013
"C155569918"	"155569-91-8"	"Emamectin benzoate"	"DSSTox_34566"	4.02002292050733	12.110396395978	0	1.15805946791862	0.405130452005546	8.52764823451033	1.70542635658915	2.39701704545455	0.541858574911949	1.11731843575419	3.24324324324324	0.261868277487213	0.209592980827795	108.679645547393	1.66486869736528	9.28607604098407	64.1019283851938	109.139609581841
"C1559348"	"1559-34-8"	"3,6,9,12-Tetraoxahexadecan-1-ol"	"DSSTox_27412"	0	0	0	3.47768154563624	0.461262003685518	7.86308973172989	0.918847965408076	-1.79326679072915	2.54831646091841	0.296076980014804	0.254452926208651	0.119780490696061	0.0509839287188012	0.623870361520273	16.887528661199	11.9766941219114	3.4472368881256	13.419366310949
"C1559359"	"1559-35-9"	"2-(2-Ethylhexyloxy)ethanol"	"DSSTox_41920"	0	0	0	2.25911260026399	3.62187164450318	2.36091151714227	3.4593023255814	1.85868122141909	0.814156910240883	0.300525920360631	0	3.58535548785031	3.9483946756595	1.22945156252307	5.62966142499518	27.2939785551097	7.51412664677397	6.9436541871743
"C155990208"	"155990-20-8"	"SR271425"	"DSSTox_47347"	13.358818002616	6.16543330527118	33.2924604480067	-0.892785329365398	1.00979849604479	2.84184514003295	6.31285388320798	-0.595238095238094	0.547492191805989	0	0.268456375838926	3.02112143460093	0.641373605721278	21.5327515132532	40.9917910963177	13.1929330836801	29.4097445825009	3.90939307483557
"C156052685"	"156052-68-5"	"Zoxamide"	"DSSTox_32581"	0	0	0	0.541482541855979	-0.093433384916348	-1.85999323638824	0.533313302786749	1.66288050885961	0.510330068318381	162.956810631229	142.461538461538	0.457911931891478	0.279358146138429	16.0114723008192	19.7405132046981	6.5541543147048	58.6299466088081	4.37738749749578
"C156105"	"156-10-5"	"4-Nitrosodiphenylamine"	"DSSTox_21031"	6.69292579171261	18.5363569266769	110.100612853538	-0.496994613723297	7.44908585975469	6.19301756726707	26.4170203621125	1.74293554846844	11.3210911035835	70.2020202020202	34.984984984985	1.90373411398921	0.12349535634885	17.1326967448843	17.8973475925089	4.9190223620495	5.86671841626999	12.3369783751212
"C1563388"	"1563-38-8"	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	"DSSTox_27414"	0	0	0	0.658991663358475	0.701181164972748	4.40615546494805	0.54259663254461	3.58555885262117	1.37882210160806	1.36869118905047	0.282087447108604	0.387032318819392	0.205743066811309	1.28005510971532	14.5727307259286	21.5994294677756	4.33206216375835	6.73794392029194
"C1563662"	"1563-66-2"	"Carbofuran"	"DSSTox_20249"	0	0	0	1.4945303271532	0.498152782743415	8.55094726062468	4.33864030785482	5.12445095168375	2.49815993419059	0.904977375565611	0.129366106080207	0.115606597130724	0.0921229858803945	1.51123038844325	32.5930126688529	10.6723323853609	6.63706403971599	9.85418401986654
"C156434"	"156-43-4"	"4-Ethoxyaniline"	"DSSTox_25864"	5.93553603587048	6.02171589484286	4.95557074504443	2.58988964044144	0.762425535698408	1.13680909447276	2.15583092853505	2.60192243950944	3.00058075756598	0.145985401459854	0.404312668463612	0.535706024225805	0.339607262122187	0.885833405588319	8.19593489527778	5.62812884752869	13.8599732557214	6.66143665407966
"C156605"	"156-60-5"	"(E)-1,2-Dichloroethylene"	"DSSTox_24031"	3.14786945632155	7.49044405291606	20.4670020271792	2.81832990134309	0.342783401217889	2.76254316473695	-0.0686577411603159	-0.154416306361952	0.18629683295384	0.236406619385343	0.449438202247191	0.267553709915697	0.0589160302672026	1.51685936936458	3.94296186044772	12.5951942522623	6.19123163047763	4.28436054247402
"C1569013"	"1569-01-3"	"1-Propoxy-2-propanol"	"DSSTox_29217"	0	0	0	1.79954574573409	1.11967314853124	1.26055562354669	1.24754336494916	2.8169014084507	1.46801051709027	6.54810024252223	0.564174894217207	0.918811271256077	0.153709415395455	0.77002399338518	3.21667989915843	13.6880222997223	7.98403793074752	8.33105566185657
"C1569024"	"1569-02-4"	"1-Ethoxy-2-propanol"	"DSSTox_41267"	8.89482996887391	8.17884276818736	52.8279807567286	1.56194375222499	0.757979905752645	3.41042728341827	0.729927007299271	3.463705667882	1.21959088855908	0.145985401459854	0.404312668463612	0.104984555636479	0.684144452699476	0.974021676103281	11.1749131959773	14.1433532035005	4.73744740068793	4.81254239834173
"C1570645"	"1570-64-5"	"4-Chloro-2-methylphenol"	"DSSTox_22510"	8.51701166897662	8.35885490983758	22.6228423648283	8.92479573990446	2.5	57.272274763564	32.9928342735173	43.3703868385949	32.4606291403864	0.294550810014728	0	2.87707714190782	1.28853725498278	0.878189587390436	2.91387992398075	11.0616479711692	3.9606033084023	9.24478861078908
"C15708415"	"15708-41-5"	"Ethylenediaminetetraacetic acid ferric sodium salt"	"DSSTox_27774"	7.73903951543121	23.0032467532468	14.1304931051135	2.20303661804108	0.93205457247062	7.6316732353995	2.84199075333152	3.25354736992977	2.93108161467667	0.452147701582517	0	-0.00133695753224806	0.16602298397332	0.831884599508541	4.58026376530441	26.3378050120756	5.14392053275973	2.96822646642297
"C158081993"	"158081-99-3"	"CP-105696"	"DSSTox_47308"	2.57418321025237	9.85614772427905	52.2166261602881	2.53164556962025	0.374425997880607	15.681233933162	3.5485191756517	4.03696922137937	4.16493818966232	0	9.46327683615819	0.37851162325373	0.137503523749935	11.6846499336885	6.81209665043707	6.62238591138913	76.8424028518245	28.1152598847023
"C1582098"	"1582-09-8"	"Trifluralin"	"DSSTox_21395"	1.84613896813501	9.8983070235644	0	9.14601533250134	0.603530081609413	8.70805001096732	0.507430228343603	3.73615473632005	0	18.1362007168459	2.20082530949106	1.65617159284768	0.339826253114713	1.4641116637384	34.0299748373937	76.2670664445646	17.7650330816064	8.68259477168948
"C159138815"	"159138-81-5"	"Cariporide mesylate"	"DSSTox_47344"	5.22676119738915	4.73750238434112	18.2014469182884	3.29736572427512	1.7372510847508	24.1438848920863	2.01230161743488	10.2056215808338	2.87326592993181	3.0791788856305	1.13555713271824	2.10843929831682	1.66089194554451	1.77108519152566	29.0284584229602	17.0905178319749	1.98765607503958	8.56954025907034
"C1596845"	"1596-84-5"	"Daminozide"	"DSSTox_20370"	0	0	0	12.7277884138127	4.09576422958681	21.9082345791553	29.0852540074966	35.8839528558477	28.9107720063144	18.5754189944134	88.1597717546362	0.277184368460171	0.170671268984248	9.77029187364687	57.5422428095925	13.329562686507	3.99872079705678	11.8057667277771
"C15972608"	"15972-60-8"	"Alachlor"	"DSSTox_22265"	0	0	0	3.31374568364936	0.178551638365206	4.70324748040314	0.955743592865402	5.60302185448332	0.290520426096625	0.574712643678161	1.5884476534296	0.322236152928022	0.147752676751104	1.50030042722205	2.37647570031653	4.18074384519104	58.6249068727506	7.72904629567595
"C16079882"	"16079-88-2"	"Bromo-3-chloro-5,5-dimethylhydantoin"	"DSSTox_32591"	0	0	0	1.20571598690086	5.01148183168985	0.644930132568972	4.13380473211857	3.78386125842053	15.7367190110257	0.301431801055011	0.365408038976857	0.311733403123134	0.243220678599363	0.267476141760476	1.07175435246207	65.4235004766018	9.49963526232482	6.82094823768025
"C1610180"	"1610-18-0"	"Prometon"	"DSSTox_22341"	0	0	0	10.8261713335182	0.118734049376988	0.126294518817881	-0.217893694288544	1.93420101229212	0.535888275414096	0.173913043478261	0.150602409638554	1.60995076798768	3.49910887730807	1.75016638381188	18.5925598006739	20.8225501703432	7.47601112949879	10.4848269270091
"C161050584"	"161050-58-4"	"Methoxyfenozide"	"DSSTox_32628"	3.16542203310478	7.28882752946109	0	0.568135703270839	0.25107702439426	3.37122696981576	4.26305353602115	6.27815056530931	2.15961678980271	0.556328233657858	0.696378830083565	0.545524565523126	0.235381017944073	1.19877339539142	6.37380479948417	7.38606927213285	8.69350836737455	11.1855975199476
"C161326347"	"161326-34-7"	"Fenamidone"	"DSSTox_34590"	0	0	0	0.172998080432258	0.187098816959788	1.70347003154574	0.66575881373884	4.35527853525516	1.37528350142354	1.22887864823349	1.26050420168067	2.31325149993356	0.689331399337258	17.5087847016712	5.20315841068017	50.0975485601446	33.3781048761954	107.939863653137
"C16219753"	"16219-75-3"	"5-Ethylidene-2-norbornene"	"DSSTox_25306"	0	0	0	1.59885068124942	0.160275436305355	3.87878787878788	1.43152668597435	0.685108583247157	1.63331851193123	0	0.284090909090909	0.383351474050142	0.100270929682114	0.938485736489382	4.6686721438481	9.6451600541462	10.611512935918	7.66779647478639
"C1625918"	"1625-91-8"	"4,4'-Di-tert-butylbiphenyl"	"DSSTox_48193"	0	0	0	0.531957125843589	1.97342740244907	3.69590950940418	0.688034905185432	2.79426310583581	1.29117081886525	-0.171086398631309	0.846262341325811	0.229520561120711	0.0521147689412926	0.668569608031638	4.11746807189988	12.2261577297181	6.96057212975712	9.57213707232376
"C162706141"	"162706-14-1"	"UK-156819"	"DSSTox_47309"	0	0	0	1.68756407223405	0.369697118573289	1.7989417989418	-0.0513083632632128	0.527727312051215	-0.0857519788918199	0.462249614791988	0.13986013986014	0.765534746362977	0.263034405833794	0.763178702529902	27.7064048694054	5.90418301595808	6.69014111980604	3.22455931993445
"C1632731"	"1632-73-1"	"Fenchol"	"DSSTox_41970"	3.00898889270583	8.74515126567728	21.3425348599932	0.240040734185196	0.399248473461719	0.936905284731373	1.79572083545593	0.844681951387691	0.61022120518688	0.499168053244592	0.143988480921526	0.819009763614737	0.178067368451946	0.923406367407343	9.88523383590113	6.7782131361146	11.2034902041935	5.97173155638816
"C1634782"	"1634-78-2"	"Malaoxon"	"DSSTox_20790"	4.60733366718512	12.5525905474591	0	3.53464782901206	1.45566405688494	-2.0516366989396	0.102197240674502	-0.765672356037646	3.19253668369978	0.447093889716841	0.401069518716578	0.380570207207558	0.836432385908472	1.79695179091392	5.98572167806915	9.36634649772216	5.25791902968513	8.36331765482988
"C163520330"	"163520-33-0"	"Isoxadifen-ethyl"	"DSSTox_40360"	0	0	0	6.96290900261033	0.521423713443664	12.4475524475525	2.15827338129496	2.56196972217601	6.05612998522895	-0.156494522691706	0.491803278688525	1.11475823782822	0.185632405959871	1.10798571873839	4.03832264744094	5.62481299311874	8.87998156454952	11.7360290831352
"C1638228"	"1638-22-8"	"4-Butylphenol"	"DSSTox_47425"	7.98087665588137	19.6844695324938	19.0824921037964	83.952621674477	45.5885733992413	153.738982087006	199.476842591168	100.400274473925	120.88490216116	23.22206095791	15.9183673469388	2.32168329385306	2.57713561846466	3.62013192520612	37.1063808164711	45.9745562004492	5.80120190643879	10.5032253079448
"C16423680"	"16423-68-0"	"FD&C Red 3"	"DSSTox_21233"	0	0	0	1.90141179826021	1.63570914326854	6.32911392405063	2.23401119952844	5.91304347826087	4.24187725631769	0.32626427406199	0.146198830409357	0.74296489915885	0.64480190927164	1.55091341999964	1.30666194551323	7.3630906989605	9.68601355971933	30.6941446698031
"C1646759"	"1646-75-9"	"Aldicarb oxime"	"DSSTox_24431"	5.75614063757039	5.2173928553592	6.8950130296648	1.31417643308979	0.112262844740486	3.3197139938713	-0.144092219020173	0.538748445917944	0.538645690834473	-0.149476831091181	0.137268359643102	0.299721547107718	0.199083012266238	2.6504606479266	29.6506156493711	9.79928691155066	8.99204706436577	6.5200454697293
"C1646873"	"1646-87-3"	"Aldicarb sulfoxide"	"DSSTox_33161"	5.74537641533335	2.32679897484367	7.56758625458065	0.720996285776709	0.0248222290361676	3.79509185999732	1.09007458405049	1.47046323841904	12.3491634965435	0.461538461538462	0.291545189504373	1.10312030026178	1.00995321092717	2.74297392949982	3.64095629729421	9.67859557517756	2.40991782031705	7.02517440203567
"C1646884"	"1646-88-4"	"Aldoxycarb"	"DSSTox_23862"	0	0	0	-0.0935033848225302	0.183085048932443	0.524903767642601	0.56214275591667	6.5622161671208	0.854411066657626	-0.895255147717099	0.142045454545455	0.204516406386439	0.147305770166385	0.979083478674643	4.79070223823707	1.15090454729408	5.58749014110394	5.10949387145861
"C165252700"	"165252-70-0"	"Dinotefuran"	"DSSTox_34549"	0	0	0	4.15335463258786	0.487065202407756	3.54367423064967	3.20995238826601	8.18919332619011	1.68429298864081	1.50602409638554	0.289435600578871	0.274582580515995	0.0429859249656389	0.663842679618128	2.76912508500192	21.2103388151465	6.68129663880846	9.06199054751654
"C16587716"	"16587-71-6"	"4-(tert-Pentyl)-cyclohexanone"	"DSSTox_47127"	91.0678107496127	88.6872783538841	15.6167323181845	1.38656719044184	0.187399030694669	13.3784487246226	1.76823176823177	11.4737452857557	3.9632736640465	16.5289256198347	0.739644970414201	2.81225937045742	1.17952988640099	0.726901387533487	9.4930101230087	18.5460325493208	10.0064198944303	18.2339535752676
"C166412788"	"166412-78-8"	"Diisononyl cyclohexane-1,2-dicarboxylate"	"DSSTox_47395"	5.3919608039196	6.11348656571503	9.30761331964207	1.47173743162282	0.314098867526349	4.53576864535769	0.518216080402011	1.75642328349542	0.84666422436602	2.861562258314	0.693000693000693	0.245952984339121	0.1291239584049	3.48004091743892	21.9430295282358	9.79660844847709	12.123721304412	1.79715947935967
"C16672870"	"16672-87-0"	"Ethephon"	"DSSTox_24085"	0	0	0	2.82360085011638	0.762366420623554	8.86495443247722	0.211387657688373	5.27282623486189	-0.56475170399221	0.590841949778434	0.276052449965493	0.329919493379804	0.272257020179099	1.88504829027935	14.3340253795034	24.3740080546141	2.5255119654918	9.70139871265973
"C1671756"	"1671-75-6"	"Heptanophenone"	"DSSTox_48194"	7.65931752767263	8.47967510247059	12.2388136420879	2.48547956674167	0.868661370554607	4.2906769317435	2.46355520397785	2.48860848229933	1.43849206349206	0.966183574879227	0.277392510402219	1.34415701981126	0.562352928992366	2.45036829843764	36.5969881412374	8.33383176624089	9.20959372569916	2.60421667881976
"C16752775"	"16752-77-5"	"Methomyl"	"DSSTox_22267"	4.9608994468022	9.56129903128474	0	0.31638276028244	0.21779056349245	1.75884721339267	-0.252473558512453	0.743494423791819	0.0844221105527635	0.298953662182362	0.142857142857143	0.494935390741285	0.301093858625991	2.07606480320513	4.49318489727177	7.7942587223722	7.50799859716579	11.1510386732232
"C1675543"	"1675-54-3"	"Bisphenol A diglycidyl ether"	"DSSTox_24624"	10.0529959175394	28.5027991305087	9.00867410161091	3.90880455977201	0.293443743216626	13.2891832229581	1.261714046385	14.9360502926512	3.47376788553259	0.94876660341556	3.65168539325843	0.125743465159598	0.134419673447263	1.38279415567736	21.0225427003681	26.1752090399898	5.01280285289529	7.69014056746915
"C16893859"	"16893-85-9"	"Sodium hexafluorosilicate"	"DSSTox_36933"	0	0	0	0.544080864340785	0.35542490646713	2.91666666666667	1.56852200412297	-0.0423863515947865	1.47456293407233	0.73394495412844	0.146627565982405	0.184352668272107	0.0534692710279265	1.32481855307028	3.2166564181699	6.33096042960926	14.0154573768601	7.1436752081573
"C1689845"	"1689-84-5"	"Bromoxynil"	"DSSTox_22162"	4.90202778735591	6.16633689119268	0	2.00471475719	0.73399974852257	6.282722513089	3.11125860781548	5.21057485398094	3.00344872746322	3.1390134529148	1.143583227446	1.14533076987092	0.823367946252861	9.38456192580803	19.4877319842593	24.7568707476469	11.5475378266233	46.7589652577065
"C169590425"	"169590-42-5"	"Celecoxib"	"DSSTox_22777"	12.8517710495043	6.88665835493146	13.4842623993217	9.41525423728813	12.8085987048535	29.3849658314351	92.7230046948357	55.6730155837055	62.0515796728209	10.8308605341246	11.8881118881119	0.617597086346986	0.142562646098908	3.13115054170309	19.1558699221583	14.4411358284748	51.7237052033771	18.0740656131423
"C1698608"	"1698-60-8"	"Chloridazon"	"DSSTox_34872"	1.92413144330276	11.285713949753	0	2.47805242512919	0.912642915843654	5.85507246376812	3.11360874848116	0.31637868094427	0.980560811973164	0.897666068222621	0.152788388082506	0.477541707005413	0.433176235942874	1.23469673127489	12.8103997371544	9.1459443637039	1.8557962540705	5.52607482445394
"C1702176"	"1702-17-6"	"Clopyralid"	"DSSTox_29221"	0	0	0	0.123583934088569	0.0911845704654099	2.29949523275378	1.20227457351747	-0.322061191626409	0.963423991815161	0.902378999179656	0.136332651670075	0.253089304707403	0.485076405156603	1.14501850980219	38.1761175426093	11.2260802286495	8.06277829443574	12.6065825130311
"C171866312"	"171866-31-2"	"CP-283097"	"DSSTox_47264"	0	7.6852069633243	0	1.79405259277464	2.33830613103868	7.00416088765603	3.74784606547961	1.05073058611066	2.23731522173392	0.29585798816568	0.41958041958042	1.26303440583379	0.37851162325373	1.05482650738436	44.849063177886	7.50516453846682	7.85451389051481	1.1353476429648
"C1724396"	"1724-39-6"	"Cyclododecanol"	"DSSTox_27429"	14.0817446390055	3.32285663093141	10.6164126435919	0.685571119462476	0.29246998908694	46.3044628682307	11.6071428571429	89.4100679898359	24.8838394436284	0.332778702163062	0.212615166548547	2.15819546040097	0.771497719241537	0.375501833646308	2.33154896970115	2.15545332112107	4.76585094393734	5.21333359762616
"C173584446"	"173584-44-6"	"Indoxacarb"	"DSSTox_32690"	0	0	0	1.05573668684987	1.15092332608217	5.87828492392808	4.41151422244933	8.18312330515234	2.90187989311331	2.83159463487332	1.20320855614973	1.05681515436358	0.439651421006091	18.1721458422926	3.31456146393835	9.65630465989275	31.7941318587118	31.9497931294682
"C17372871"	"17372-87-1"	"Eosin"	"DSSTox_25234"	33.9462933516037	18.1012637599915	18.0217282201163	764.599701841331	3.04379468299157	2253.44095157179	5.12784291566605	0.69204152249135	-0.903557758674781	0.139082058414465	0	0.569772392426423	0.137355207689201	1.44062586745394	1.57206462116951	4.16131971637373	91.5724910638037	28.2666180500844
"C1742149"	"1742-14-9"	"1,1-Bis(3,4-dimethylphenyl)ethane"	"DSSTox_29223"	0	0	0	3.1002253192022	2.06613325780642	10.73363596427	8.23451364126378	2.80761258714905	3.94725907869588	0.62015503875969	0.306748466257669	0.631256550114976	0.598761350329207	1.93651101540987	4.51037856323623	5.25218476771912	4.36729628585338	11.2379117431053
"C17465860"	"17465-86-0"	"gamma-Cyclodextrin"	"DSSTox_47033"	0	0	0	0.913008959963707	0.61404453746595	3.2069970845481	3.3193478145414	3.78023010096267	2.57407857713551	0.168350168350168	0.272479564032698	0.100560678951674	0.16174198664544	1.29286037249466	0.0397143759658802	11.6229143453903	14.2624578542299	8.8777851718724
"C175013180"	"175013-18-0"	"Pyraclostrobin"	"DSSTox_32638"	0	0	0	2.02340107328231	-0.553299005341094	-4.97787610619469	0.407032129557462	0.950479233226835	-1.19162782516929	0.978179082016554	2.21760221760222	0.590159730189911	0.23834922889279	16.8835350656088	1.07760493474598	60.3273483622978	86.3528786951729	110.883474902001
"C1760243"	"1760-24-3"	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	"DSSTox_27433"	0	0	0	0.541439088102588	0.472727726291894	2.48126130783148	0.509519978546527	5.04400812457684	0.734327049539675	0.150037509377344	0.133868808567604	0.267693939726551	0.0654847254035693	1.66970064543471	15.0124940839092	40.0847043329815	7.14398559812699	6.06278403839374
"C1762954"	"1762-95-4"	"Thiocyanic acid, ammonium salt"	"DSSTox_29653"	15.3845735924503	7.44482933675754	11.232005356545	1.79156652829364	0.4132171068962	2.21268606678289	0.0701217568687442	3.93540161495963	38.6918640323966	0	0.43731778425656	0.240591356433862	0.0639420130059521	2.22323861720546	6.67998588613495	15.6280442222693	5.76368603382949	5.71875702390467
"C1763231"	"1763-23-1"	"PFOS"	"DSSTox_31864"	24.4763975770116	30.1438068405117	16.0095856524428	5.0425927739156	3.04779247233839	28.0256634587343	10.9669633428873	5.16288168750531	3.43863572826391	0.644122383252818	0.686813186813187	1.43198193551138	0.706617503296934	0.651332408258391	6.03086743986248	8.91644946516771	58.5579576881563	4.57584246492672
"C17696627"	"17696-62-7"	"Phenylparaben"	"DSSTox_47882"	15.0982644273775	80.3089036648206	80.0297292057132	166.948423532932	150.112617062473	189.863525020413	215.140063300109	161.012715712988	163.226418932664	95.9713518352731	84.2329545454545	1.67375137767824	1.37511751489402	40.6846485651168	132.745845788612	117.853634348323	1.08788208564828	3.6237028030612
"C177785476"	"177785-47-6"	"PharmaGSID_47261"	"DSSTox_47261"	0	0	0	0.549887601590869	0.42582078499136	3.22293182830833	-0.45993706124425	2.06640762981278	-0.408739595719383	1.08695652173913	0.0643086816720257	0.485426827170242	0.137503523749935	2.6723802595282	3.49090793600596	6.16995910045469	3.13411608035222	6.27349223212414
"C17796826"	"17796-82-6"	"N-(Cyclohexylthio)phthalimide"	"DSSTox_27793"	4.60718615036654	15.9047374322557	13.7200115618075	0.967001087876224	1.00603621730382	-0.0509770603228566	0	2.15134647209267	0.76551421221058	25.7301808066759	0.309837335398916	1.75682807489234	0.813403966730409	0.634406259152973	5.10728516052181	7.03581695759763	30.7974913818588	36.1636142726506
"C17804352"	"17804-35-2"	"Benomyl"	"DSSTox_23900"	0	0	0	1.36656203430673	0.175277026826297	0.377191036165967	-1.11182934712346	0.960955761405941	0.508465105883669	1.05949470252649	0	0.233765141481006	0.198495949824257	2.81969373370182	73.2959510513716	19.4268500654712	22.6971729290468	7.80022730278487
"C17924924"	"17924-92-4"	"Zearalenone"	"DSSTox_21460"	99.9605302276944	104.416782182154	13.2860398242092	139.841319553189	149.7440104093	149.932478055368	158.491947291362	84.7570332480818	85.4092235525131	105.611510791367	102.55288110868	3.92608053947845	3.76333910626751	64.9306483210948	84.6505289802793	156.187700211377	56.2097557858488	52.4627158550435
"C179465715"	"179465-71-5"	"CJ-013790"	"DSSTox_47303"	0	23.9647598684009	0	7.23543589976807	1.28488818079896	7.77502067824648	12.8591396179531	30.9851196082125	6.14348320077909	-0.142857142857143	0.365408038976857	1.76553474636298	0.263034405833794	8.99393080774027	33.1418767669957	6.19810771887157	14.0292216243836	53.896032467627
"C180084019"	"180084-01-9"	"SB236057A"	"DSSTox_47320"	7.06965963157252	5.80664547936275	37.5812624515047	1.73850054328142	0.13259082471493	-0.909357582868874	-2.21697129751894	3.92019600980049	-0.335753176043557	54.0229885057471	29.7353760445682	0.584962500721156	0	1.32377866965279	1.03461069810109	1.19517392175697	136.283267016303	107.22797266769
"C1806264"	"1806-26-4"	"4-Octylphenol"	"DSSTox_22312"	7.98360261649608	18.2287421896224	0	57.008907641819	52.0475685858943	95.4298771779492	121.686911423502	64.704856569884	51.2403550983158	5.86206896551724	6.07344632768362	3.10740255482387	1.45824217291509	0.361366897148531	67.0217500601994	36.3044161253556	17.4266450421605	1.54497609986433
"C181274157"	"181274-15-7"	"Propoxycarbazone-sodium"	"DSSTox_34864"	0	0	0	1.5622001305032	0.295049026465389	6.92307692307692	2.13795255930087	7.32908704883227	0.892790714976563	0.310366232153942	0.397350993377483	0.228254536806523	0.14382940964678	1.04483213342765	17.528236724625	36.6605267247262	4.9839881354944	8.47439577544982
"C181274179"	"181274-17-9"	"Flucarbazone-sodium"	"DSSTox_34614"	0	0	0	5.58812035951543	0.556098924130222	-0.012828736369469	0.579019073569482	1.6381933068102	-0.256717439671401	1.56794425087108	0	0.121910566405168	0.212490563379766	0.763463192916766	2.24150947265903	0	4.10004125048535	9.52632487365599
"C181640095"	"181640-09-5"	"SR144190"	"DSSTox_47339"	0	0	0	0.854304020800446	0.141169336883095	6.43976493633692	3.02734375	4.26580318175419	0.290469823412791	0.278551532033426	0.412087912087912	0.67587099691937	0.449598945285797	0.404508554103907	3.61631529023946	13.4888442311891	3.4432561809771	6.47926630248785
"C18172673"	"18172-67-3"	"(-)-beta-Pinene"	"DSSTox_41184"	0	0	0	0.0630700562778959	1.63000988331784	1.37776353732778	1.11821086261981	0.0626043405676104	1.67606051616731	2.11382113821138	0.28388928317956	0.0556838188261273	0.0143078366838866	0.643777130645618	3.83650627671313	8.64755449811888	4.54508985696182	13.140349532228
"C1825214"	"1825-21-4"	"Pentachloroanisole"	"DSSTox_21103"	0	0	0	32.3854895538683	26.3716408794788	62.08	57.2437753329473	50.898579866784	6.59823176882454	0.3125	-0.167224080267559	1.01214594240383	0.369264731958718	0.193393969502819	6.30301567468006	14.0785981918291	4.2074668133547	5.81861986753375
"C1836755"	"1836-75-5"	"Nitrofen"	"DSSTox_20970"	0	9.98717376591827	7.16845878136201	2.90643744975574	0.75912928412793	6.19969545355667	2.80712345306369	6.99008440547406	5.06415739948674	1.27591706539075	0.887761572606214	1.33275564625751	0.564954868721911	1.00015367822018	3.95315216828332	8.71331167972158	5.60301496239929	0.814308847869031
"C1843056"	"1843-05-6"	"Octabenzone"	"DSSTox_27441"	0	0	0	0.313765759598381	0.621888869403338	1.2866015971606	0.623487126824616	2.58172362555721	0.702815521574307	5.3968253968254	0.55363321799308	0.619972528843698	0.0711359304869097	0.756868473151388	1.42104594207581	10.115411703119	14.3014731105219	27.0942516559671
"C184653847"	"184653-84-7"	"Carabersat"	"DSSTox_47319"	0	0	0	0.267835402970538	1.26910517794913	1.25441003528028	4.13086582947786	1.44314734810184	2.67922383697329	1.9471488178025	0.974930362116992	0.765534746362977	0	1.2978878451843	9.76277975853409	5.47387758972963	4.55334956455633	5.99076537408622
"C1861321"	"1861-32-1"	"Chlorthal-dimethyl"	"DSSTox_24000"	0	0	0	10.4806051498867	3.18656291516417	26.124150032902	26.0057992026096	24.797487187965	17.6063925300772	2.5089605734767	0.275103163686382	0.591824837664277	0.372863973012779	0.404336419532946	5.68513420682399	10.3631242878131	0.803100290696125	2.72873726939875
"C1861401"	"1861-40-1"	"Benfluralin"	"DSSTox_23899"	20.9677513667024	3.58089618988444	0	9.27200289750091	0.462594655116532	27.2513933704899	2.49496142886928	2.69513475673784	1.95099818511797	68.3087027914614	45.891364902507	2.20975835567757	0.687574965055247	0.7437179979877	1.72894268815976	19.7693484021893	20.8611924678761	27.3131744624373
"C186392654"	"186392-65-4"	"Ingliforib"	"DSSTox_47252"	0.467964588491256	5.06599122562469	17.6238012450227	0.586244697583529	0.991469451005762	3.18949343339588	-0.350684177955029	-0.855371576551831	0.335801618736008	0.496688741721854	0.966542750929368	0.37851162325373	0	0.446914648132315	2.28905742392746	14.5156674842511	59.3757334617578	21.7657107241072
"C1873887"	"1873-88-7"	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	"DSSTox_38795"	0	0	0	1.8694180950796	0.895393495898007	3.10486233157586	2.01304224553445	2.60828625235405	0.754702225002933	1.09034267912773	0.536912751677852	1.0280143761696	0.224159587990614	2.37175384701205	2.92861324935234	15.7476888268777	6.80191153453019	10.031293823273
"C188425856"	"188425-85-6"	"Boscalid"	"DSSTox_34392"	0	0	0	-0.0136431852289776	0.42485395645247	3.72208436724566	3.89812082621525	2.88189866264833	4.22820970621652	0.714285714285714	1.82704019488429	1.09389668683442	0.327420806895496	0.178793619910047	0.70276453567669	2.14129548624995	2.9929550772099	14.9374071422145
"C188489078"	"188489-07-8"	"Flufenpyr-ethyl"	"DSSTox_34618"	13.41323174674	8.53684260019931	0	0.219341974077766	0.394018667441785	4.05576679340938	1.60566166958374	2.3510614015065	0.721684496518933	1.21580547112462	0.483968542044767	0.184505146515858	0.244390424822002	0.431952655508906	5.21259933632602	9.4804242850478	9.80528530694908	5.27444675526386
"C189003927"	"189003-92-7"	"Trelanserin"	"DSSTox_47355"	0	0	0	1.02907607678779	0.834072759538598	6.39892904953146	1.99642431466031	1.98101527032604	-0.0376789751318756	13.3122028526149	2.82685512367491	0.421623173448207	0.0628035743266808	1.77638191285188	2.00988859453309	22.7307272194888	16.1600339143411	27.9281043362749
"C18924668"	"18924-66-8"	"2,2'-(Tetradecylimino)diethanol"	"DSSTox_44865"	47.9097821553467	6.07368205308388	55.0962893377172	-0.433529097704218	3.34562697576396	2.88554801163919	16.7313258205555	3.24480080180406	7.84297789336801	93.4046345811052	103.882877148313	0.226649424876021	0.0998638944693854	2.60744090041789	2.74413865515728	37.8119580445114	119.612288742461	52.8523458751028
"C1897456"	"1897-45-6"	"Chlorothalonil"	"DSSTox_20319"	10.3334575535708	6.53662798082731	0	0.850757029560202	1.03289977046672	4.36341900777048	2.64865580717786	12.875072728784	3.95992742762483	8.69565217391304	18.5459940652819	0.350108642356964	0.190404734001577	39.6597873799644	8.33395646274484	1.31442047422893	101.252968196327	104.394426151422
"C18979550"	"18979-55-0"	"4-(Hexyloxy)phenol"	"DSSTox_48195"	1.20196714099414	39.3140219966274	75.3874167054083	43.7752402172399	4.21496584558062	187.658495350803	14.9924235671628	135.27397260274	8.26443849480714	32.6906222611744	40.14440433213	2.26716667048502	2.08752837212818	5.37038504265274	103.329346494797	13.8007353119807	87.8856460377831	6.99774233110762
"C19044883"	"19044-88-3"	"Oryzalin"	"DSSTox_24238"	13.7799803526884	16.4334639957637	15.0964391691395	3.53530549478424	0.0861531148807226	0.554692700244068	-0.361990950226245	3.48887542204138	-0.139688215902106	6.27546862265689	10.9859154929577	0.403188509869573	0.20122950789317	0.286758300823324	4.83866439622654	8.20504160726183	90.1139425514013	37.7783604534296
"C1907659"	"1907-65-9"	"N-Butyl-p-toluenesulfonamide"	"DSSTox_42198"	0	0	0	8.93317702227433	5.56098924130222	2.45028864656831	2.94050862851953	1.170138076293	0.688002738319357	1.74216027874564	0.158730158730159	0.48257839322092	0.0724591920066918	0.827407555751928	7.35023030200675	12.6947306663307	10.8252608088778	4.41923392442184
"C1912249"	"1912-24-9"	"Atrazine"	"DSSTox_20112"	3.71618362302836	2.53611653094367	17.0037974683544	0.337062004592933	1.4915362969659	1.52544932789609	2.17467147342714	1.5129743893162	3.58153753255085	0.154559505409583	0.306983883346124	0.384650401498034	0.199468136045197	2.33299319089187	5.27179206161398	5.87641012399865	6.41645894585259	4.36446446527239
"C1918009"	"1918-00-9"	"Dicamba"	"DSSTox_24018"	0.893020682889038	11.6471484189831	0	1.92622950819672	0.409810847065484	6.44654088050314	0.793755787802619	-0.664451827242525	1.38422354287402	2.09508460918614	0	0.241176590070524	0.277086184974571	1.69167647278945	2.32520351157032	13.0000553184949	6.58003406323515	8.48934452142663
"C1918021"	"1918-02-1"	"Picloram"	"DSSTox_21160"	0	0	0	3.3381398702235	0.0816118337158886	0.896592946802153	-0.119189511323004	-0.90599285179952	0.252425652756962	0.158102766798419	0.593471810089021	0.181793696190422	0.270955788855228	0.536412082341743	3.4621675376497	13.0849975735211	10.4811908366289	4.88673292789109
"C1918167"	"1918-16-7"	"Propachlor"	"DSSTox_24274"	10.3874945576607	14.4967076058005	40.8465968910634	0.0499540744799139	0.774324862465155	-1.28379398882344	1.25018603958923	0.728355183988853	1.03859555079067	0.14903129657228	0.698324022346369	0.149159703683643	0.561123300476029	5.82997894164892	2.25272051665962	10.3719436025661	97.5150030468439	63.2758889951489
"C1929733"	"1929-73-3"	"2,4-D-Butotyl"	"DSSTox_32309"	0	0	0	2.03364186543254	0.164488307993243	2.8093558081798	2.05398064844678	8.12064965197216	3.72330128411951	0.145985401459854	0.269541778975741	0.413419541152005	0.311618698669391	0.909179307768435	40.3022611536233	47.6296337515246	3.28683311539708	7.07402793483839
"C1929777"	"1929-77-7"	"Vernolate"	"DSSTox_24376"	0	45.0463109563015	0	3.21394991024874	0.430288448657425	7.42434138907032	1.59319412219644	8.50223290965304	3.28153261230667	0.425531914893617	0.964187327823691	1.06800886069663	0.165850739935052	0.713972122288844	18.6190772988845	13.4488398582522	7.14848307758751	4.83387960285868
"C1929824"	"1929-82-4"	"Nitrapyrin"	"DSSTox_24216"	0	0	0	-0.116976909775201	0.44094040192632	0.98062106000467	3.64122264907299	0.670047084389712	9.84954513645907	0.465116279069767	0.266666666666667	0.551724973594845	0.413659237850024	1.9764959716979	20.1368212948364	23.4706632889652	5.61880098940792	7.92585466708812
"C1934210"	"1934-21-0"	"FD&C Yellow 5"	"DSSTox_21455"	0	0	0	2.68976467521388	0.643811826564194	3.80651945320715	3.07156907247693	3.10868718348266	1.23051681706317	0.307219662058372	0	0.503184855799999	0.0346842680354491	0.959344261140275	1.00629082892051	7.93184045208277	13.2361295964707	2.63811095900321
"C1936158"	"1936-15-8"	"C.I. Acid Orange 10"	"DSSTox_21082"	0	0	0	2.15969779861925	1.246332262121	4.14368184733804	1.14668483197093	1.07652703018956	0.797535512579155	-0.522648083623693	0.317460317460317	0.193867684220174	0.132668302129602	0.950630838105071	1.494192606786	17.6473490237708	5.56907146644563	9.77388526026613
"C194098254"	"194098-25-4"	"CP-409092"	"DSSTox_47276"	0	0	5.73483739692286	-0.890304961310879	0.260473030965691	-0.200702458605118	0.458779368830807	0.739302516615636	0.342857142857143	0.56657223796034	0.129954515919428	0.765534746362977	0.137503523749935	1.85656923248796	11.5141229450498	17.0691457838465	10.6030043377344	12.8418724576916
"C1948330"	"1948-33-0"	"tert-Butylhydroquinone"	"DSSTox_20220"	0	9.15556370451862	0	4.06855332325196	0.797034957989241	22.4957348281745	5.95992464463093	36.6195932143174	9.95786002198607	2.38805970149254	0.275482093663912	1.5526131235331	0.362639803427976	1.5969438130638	5.20673933904399	2.57230816242993	2.03196908920471	4.68467987718456
"C19666309"	"19666-30-9"	"Oxadiazon"	"DSSTox_24239"	1.62894861435104	2.70874276915192	0	1.78626999439846	0.119711524424071	8.55596888738586	1.3145046195448	0.372557928214447	1.0618157873076	1.99335548172757	1.23076923076923	0.651112856509036	0.616276352407544	3.86258943095194	1.86744584685837	14.686688031613	66.2455450602453	65.2082756765197
"C196808454"	"196808-45-4"	"Farglitazar"	"DSSTox_47310"	10.3754560319832	23.6390825372235	6.95837780149413	3.32372025955299	0.397857689364958	-1.01613867304243	0.251622301681895	-0.939240295902254	-0.307643764297546	0	0.29673590504451	0.37851162325373	1.0703893278914	2.15838548151318	2.04822373188684	5.11270904790828	130.564244327058	4.31933895672787
"C197077557"	"197077-55-7"	"UK-333747"	"DSSTox_47287"	0	0	0	2.27272727272727	0.00981558961019841	3.50076103500761	2.0571608040201	0.0145158949049193	1.15602230634591	2.39752513534416	0.138600138600139	0.263034405833794	0.137503523749935	0.708948961647573	27.4569608463628	19.3707029251131	6.78603134540999	3.43956259790945
"C19774824"	"19774-82-4"	"Amiodarone hydrochloride"	"DSSTox_37185"	0	0	57.019190255487	4.010764374062	0.36128067771272	9.01337021668972	8.7378640776699	9.18806827245175	6.1741127935868	5.66318926974665	2.00534759358289	0.749261790974737	0.0627499203172586	2.05467279170029	2.93590615494041	0.25040348955617	19.5066631746217	5.35358914394767
"C19780111"	"19780-11-1"	"(2-Dodecenyl)succinic anhydride"	"DSSTox_25217"	1.6530942877988	14.6935404533889	12.7272727272727	2.93512001721118	0.192227554408464	3.43286613853341	1.04130907426479	3.25818406423718	3.04284827157938	0.86682427107959	0.299625468164794	0.635623163909662	0.910857227035028	0.935368332007238	5.04720239258601	12.6937663697424	64.3946765107511	12.9018905769856
"C1987504"	"1987-50-4"	"4-Heptylphenol"	"DSSTox_37714"	1.89645226420537	14.8205476693849	4.4415906474183	149.501265445884	124.740431596091	164.832	190.735379270411	116.276477146043	94.6300361953362	18.75	16.2207357859532	2.21020197936119	1.71564336836384	0.902043124265087	87.3027365450754	32.3644917630256	16.1284690533461	6.67892266686584
"C199119589"	"199119-58-9"	"Trifloxysulfuron-sodium"	"DSSTox_40222"	0	0	0	4.88138970176203	0.67330843870298	13.5072463768116	4.96658566221142	2.65271355560964	2.14175124720454	1.07719928186715	0.305576776165011	0.386232087882064	0.543149077968006	0.794968087433156	40.668770860211	14.6934767111778	5.44281823138546	-3.41939070688455
"C199171885"	"199171-88-5"	"CP-401387"	"DSSTox_47253"	4.50779532090197	7.02349946946257	32.3905703962566	0.944146636693757	0.311034312515428	2.12386751819397	1.8639554587267	4.46838572942423	1.05529131985731	0.31055900621118	0.0643086816720257	1	1.0703893278914	10.9814066609847	1.86541690719521	37.1350232044732	87.2681633914586	26.4904343904846
"C199584388"	"199584-38-8"	"1-Methoxy-4-tert-pentylcyclohexane"	"DSSTox_48187"	0	0	0	0.374593279195035	0.513270935690171	5.01600853788688	0.225596000243887	2.66294699467411	4.6194523135033	0.333333333333333	0.464756003098373	1.57983539358044	1.02593724103692	0.587718702434512	4.18815828192201	8.28587932323638	10.7216203369463	9.35245059536592
"C2008415"	"2008-41-5"	"Butylate"	"DSSTox_23936"	0	0	0	1.92769520347894	1.01796510326059	13.6391068195534	0.839738115570736	7.67779960707269	2.85224298221861	3.05028854080791	5.11727078891258	0.843931197029145	0.56085313242693	1.86693512038775	3.65431957686202	17.1660179514984	5.34528349511521	8.47563919231125
"C200940234"	"200940-23-4"	"SB243213A"	"DSSTox_47322"	20.942142206589	5.83157987024373	11.0486680903675	0.152542372881356	0.651578877094599	0.600538413750257	-0.0469483568075118	-1.90467511163766	-0.888679313721934	12.4629080118694	12.1678321678322	0	0.584962500721156	5.56911578566972	1.12725667102138	3.25210986786872	26.3946200735903	85.1873860436416
"C2016571"	"2016-57-1"	"1-Decanamine"	"DSSTox_22171"	3.39204731237828	19.3570799337207	16.4153258794655	1.18626231703817	7.98643676502417	1.005291005291	7.17381557315797	1.24321484853791	10.6649853995222	3.26894502228826	0.403225806451613	0.417684251594809	0.849332344248957	0.449015458814396	20.8736711543437	3.88322265217479	2.74748622355929	9.25945391313984
"C20265978"	"20265-97-8"	"4-Methoxyaniline hydrochloride"	"DSSTox_20093"	0	0	0	4.48346852949974	1.1205169628433	11.0359187922957	3.1968031968032	4.20655642587757	3.29612259726534	0.165289256198347	0.14792899408284	0.584351318741715	0.169925001442312	0.600442167293239	14.4027909554466	9.89075116647169	41.3273001508296	10.5092796538069
"C2031676"	"2031-67-6"	"Triethoxymethylsilane"	"DSSTox_42490"	0	0	0	0.775415839761032	15.0566900996877	3.36510406535694	1.80090045022511	1.69511070110701	1.1420181091443	0.15625	0.247985120892746	1.22586492567014	0.372830939158156	1.23515243309884	3.59274874982894	16.3287349406038	17.8209021553959	9.55514969855528
"C20325400"	"20325-40-0"	"3,3'-Dimethoxybenzidine dihydrochloride"	"DSSTox_20485"	4.6528023902348	7.59929954217958	21.9569981638334	-0.361100220786992	0.262993326651418	3.3718462626739	-0.321635337002358	0.722195474241695	0.156134439970416	0.307692307692308	0.28328611898017	0.465078181778444	1.56914547629714	3.7261441828248	1.36286522806946	41.5958335980268	44.5426976490529	29.9369048240192
"C203942498"	"203942-49-8"	"UK-337312"	"DSSTox_47288"	39.9607656323509	54.7302015166523	39.9064719951451	1.66901632634499	0.148993922228123	-0.703060380479736	9.52011181860537	3.35279713693728	0.0568089595844822	14.2857142857143	0.97442143727162	0.584962500721156	0.137503523749935	88.6930560268242	7.63847644366083	4.13862357483735	15.7084483644212	115.511301643121
"C2043574"	"2043-57-4"	"1H,1H,2H,2H-Perfluorooctyl iodide"	"DSSTox_47565"	0	0	0	0.274457072335096	0.352416356877324	7.14438961596224	0.970224155235864	-0.392912743717102	0.908138316451274	7.50382848392037	0.275103163686382	0.658876007593225	0.0919069437293553	2.39901341022729	2.98511405470566	5.14668870423853	15.2526492483503	10.1946085104215
"C2044646"	"2044-64-6"	"N,N-Dimethylacetoacetamide"	"DSSTox_27454"	13.0087103738098	17.6226250344944	28.0868933214891	0.696440415653327	0.246729171390086	4.23728813559322	1.33075001274665	3.84916288530746	2.23575302064504	0.165016501650165	0.459418070444104	0.353747969584621	0.0394632244637214	0.898427068754736	3.69736632172046	5.06191144494569	1.45525012685801	8.92998230590134
"C2058460"	"2058-46-0"	"Oxytetracycline hydrochloride"	"DSSTox_21097"	9.57785700349421	4.76708408641019	0.829775880469585	3.27378408410975	0.6478440030222	7.51143043762246	3.26372776488786	6.73308141532119	5.15669410505334	-0.141843971631206	0.275482093663912	0.162501965654832	1.32270352895112	0.52832254068224	2.77669628555152	10.9343699527051	47.1534480291964	10.4491882963975
"C2058948"	"2058-94-8"	"Perfluoroundecanoic acid"	"DSSTox_47553"	24.2813201088519	15.4912015293564	73.311837396178	4.52535288059611	0.281988449556084	21.7245240761478	-0.103488159737019	1.59186977246155	0.448333990889853	-0.246305418719212	0.144404332129964	1.5000551332101	0.375226321047413	2.38063774746404	0.350382639357566	12.454506818037	38.2525969033571	14.6714320515668
"C205992"	"205-99-2"	"Benzo(b)fluoranthene"	"DSSTox_23907"	7.30076766092193	19.0980727901735	22.0525904857509	3.28389099689548	0.666789173863964	14.732257238022	16.243691947634	2.4136460554371	14.1425429900141	23.2673267326733	4.7556142668428	0.272451821296276	0.74515122841607	65.667814268794	29.8754082082607	2.28317176955295	4.69614088138148	10.0539987614004
"C206440"	"206-44-0"	"Fluoranthene"	"DSSTox_24104"	0	0	0	3.35028161539383	2.86894688753824	43.010752688172	32.3021202746548	29.7071742313324	35.2989565744469	0	0.388098318240621	0.554249787033572	0.11160957362428	1.25737248039406	38.5798133124324	2.88161020473154	3.76829848142607	10.4937895048097
"C207736058"	"207736-05-8"	"CI-1029"	"DSSTox_47262"	0	0	0	2.69680294692801	0.205051041482268	1.73697270471464	2.42273644975928	-0.772273497833866	1.83411783801331	0.428571428571429	0.365408038976857	0.485426827170242	0.137503523749935	0.481393111424657	3.01419814889433	9.60072776760219	24.5068921826281	4.70749763451567
"C20780487"	"20780-48-7"	"3,7-Dimethyloctan-3-yl acetate"	"DSSTox_41487"	0	0	0	2.46217890141131	2.44073676385562	8.27345514268117	2.60174418604651	2.43398731376309	0.161485668146952	0.300525920360631	0.303030303030303	0.298255963084299	0.310311112290363	1.31646357841988	2.16027785593184	18.5615181000311	6.81808543376406	8.18511274622377
"C2078548"	"2078-54-8"	"Propofol"	"DSSTox_23523"	0	0	0	3.02066017573023	4.04749728711661	14.2930989919876	14.4185214981675	3.97765741367637	3.48531345900921	4.50112528132033	1.47255689424364	0.813001485198747	0.0781863533574876	0.550601131352858	4.47691868400267	26.4948015295616	5.83601149550655	10.8291953476953
"C20830755"	"20830-75-5"	"Digoxin"	"DSSTox_22934"	0	0	0	-1.10219725283881	-1.09910705918578	-6.75049636002647	-6.27738713950881	1.29292367579591	-3.2491436985819	4.37062937062937	2.65291083271923	0.466983714311497	0.0800444279320461	0.793882509617464	14.8206840573152	0.66242299804287	4.90383649042783	77.8337856187816
"C208968"	"208-96-8"	"Acenaphthylene"	"DSSTox_23845"	0	0	0	1.73436063286724	0.365408038976857	11.4710450410473	2.13316095669037	13.7044411739243	1.78800916354696	0.407497962510187	0	0.541025436662224	0.0395738159777403	1.84852285315336	4.47842696154358	6.99361571929134	11.0923211915876	4.95587950119167
"C2104645"	"2104-64-5"	"EPN"	"DSSTox_22174"	15.8384568670924	2.9877079289889	26.265158276025	29.8383676546817	10.1831134299905	51.7621673459602	37.9920921437167	24.036248561565	14.1218372727693	53.8116591928251	37.3779637377964	1.8868987879729	1.48194265598009	1.32428452254408	31.3377061865767	30.321846007043	2.82217799712285	7.87226829894472
"C210631688"	"210631-68-8"	"Topramezone"	"DSSTox_34722"	0	0	0	3.6334387307927	1.51126059586846	3.1634446397188	1.11993195350156	3.30508474576271	1.92781449184687	0.467289719626168	0.268456375838926	0.14644784961188	0.142892042745296	1.05898873163791	13.2155447092935	22.067723679583	4.90726950983396	5.65385765442897
"C210826407"	"210826-40-7"	"CP-456773"	"DSSTox_47301"	0	0	0	1.83508390679705	0.792598485518135	17.160457612203	9.90339842935576	6.38781939096955	8.55716878402904	1.80623973727422	0.20891364902507	0.765534746362977	0.37851162325373	1.71887087653559	18.3173246586817	3.42858505776864	5.00695410292071	2.60026522191813
"C21087649"	"21087-64-9"	"Metribuzin"	"DSSTox_24204"	5.23370192625484	10.0055133920975	0	2.73823022972576	0.469575745676467	-1.05143506678033	0.941335943971683	0.312779267202862	0.574274125537128	0.439882697947214	0.276625172890733	0.468224737095295	0.331114300065593	1.29997676678159	3.17121016872239	13.2137369739732	3.12843932395002	4.7149273490113
"C210880925"	"210880-92-5"	"Clothianidin"	"DSSTox_34465"	0	0	0	0.441605551612648	0.329165540789506	0.634920634920636	-0.0513083632632128	2.11956051561554	-0.118733509234829	0.154083204930663	0.13986013986014	0.385812818305661	0.177749217888819	0.423577084764831	5.00973763519251	44.8844678195016	9.55993930197269	16.3092777703063
"C2110181"	"2110-18-1"	"2-(3-Phenylpropyl)pyridine"	"DSSTox_42356"	0	0	0	20.1985837050478	0.668998023414931	23.2530326328379	7.36030828516378	2.68936590180114	8.2513028372901	0.285306704707561	0	1.57711330649265	0.635324832379495	1.33022509362567	53.0476008252439	0	4.50069761727127	11.0432718589263
"C21145777"	"21145-77-7"	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	"DSSTox_41544"	6.28729708837929	4.33688592765627	8.09989875126561	14.3294805737362	3.3093562409439	92.3922231614539	38.3278367055887	54.3188736681887	53.3496131101238	15.1621384750219	2.16606498194946	1.52566454613655	1.43143522591446	1.53015507711057	4.05128980660527	18.9669420968736	0.522356560442389	25.8405558846344
"C2122705"	"2122-70-5"	"Ethyl 1-naphthaleneacetate"	"DSSTox_34583"	0	0	0	3.91215477492038	1.40244780417567	37.3913043478261	14.0347774830533	14.5770750988142	4.51263537906137	0.163132137030995	0.292397660818713	0.409612840541466	0.275398231184922	1.36070426849839	1.36889640305366	5.82252028368676	2.75458144960758	7.38400277812666
"C21245023"	"21245-02-3"	"2-Ethylhexyl 4-(dimethylamino)benzoate"	"DSSTox_29320"	0	0	0	5.34563531842638	2.63125537931882	10.9251510925151	5.82214765100671	4.42148375686494	5.33333333333333	0.740740740740741	1.65165165165165	1.61973704434739	1.22393763553414	2.76091046827436	26.1450588342017	36.3512529346233	8.58735049778712	8.92106924547237
"C2144538"	"2144-53-8"	"Tridecafluorohexylethyl methacrylate"	"DSSTox_47558"	3.07535087525824	3.6386702719368	9.4684851546276	0.542010332638448	0.0726673771921324	5.40768905787917	0.951221368236814	0.829338811534657	2.58957378162676	27.355623100304	0.362976406533575	3.17324757164388	2.40349512869386	1.49312725861239	0.446074877326587	4.84910431570117	6.20453467844318	6.02108217032498
"C214535770"	"214535-77-0"	"CP-457677"	"DSSTox_47278"	0	10.2528911122661	0	0.811534500514933	0.408027926426025	1.17779024116657	3.70430544272949	2.23832528180354	-0.639440702532183	0.7383100902379	0.681663258350375	1.20163386116965	0.263034405833794	3.02737269154717	7.34151098808256	4.69821780371816	2.35410223951901	41.9286626431394
"C215297271"	"215297-27-1"	"UK-343664"	"DSSTox_47289"	0	0	0	-0.266297769323881	-0.0222167366082446	4.02495173028368	0.621318486242235	-0.42387848816673	0.0222948870392382	2.79503105590062	0.578778135048232	1.13750352374994	0.37851162325373	1.8230452331655	1.93389042500066	15.3485972304595	20.0929433113055	20.5268808093719
"C2155706"	"2155-70-6"	"Tributyltin methacrylate"	"DSSTox_35204"	8.44718858532916	6.57489103858829	44.5717687327926	1.18432111657285	0.136648320364395	-3.1366527747313	-1.97535338890902	0.181848239378412	-0.350152630633867	70.3225806451613	0.962861072902338	0.696825700899836	0.37119580288208	37.4525118738488	3.22709492073186	2.38427330140979	87.9356396835001	103.510797336695
"C21564170"	"21564-17-0"	"2-(Thiocyanomethylthio)benzothiazole"	"DSSTox_32647"	0	0	0	0.0128265423917231	0.580737612187948	-0.327408793264734	-0.131821776957554	2.72807274860663	1.82656499379323	19.2364170337739	0.840336134453782	0.5111801858152	0.0871038534488133	4.18972570035919	4.1738480455231	2.38520681335237	2.32684638096144	20.6109058912209
"C2164172"	"2164-17-2"	"Fluometuron"	"DSSTox_20628"	0	0	0	1.39399981872564	0.557116558473016	5.95690747782002	0.814245491210713	4.2379974130716	1.33299371709968	0.759878419452888	0.483968542044767	0.381899937270929	0.273166950856306	1.6768924343505	5.7440311048529	15.3836774295508	4.50277756017972	7.56687086860473
"C21662099"	"21662-09-9"	"(4Z)-4-Decenal"	"DSSTox_41514"	0	0	0	5.37741356569872	0.422702554494356	1.50008427439744	1.56207180049329	2.75229357798165	1.05313931988102	0.142450142450142	0.464396284829721	0.956685973569847	0.442175756164416	0.675316750963426	7.23717779553778	4.64715485860018	16.8539523435196	7.24457427754461
"C21725462"	"21725-46-2"	"Cyanazine"	"DSSTox_23990"	12.4522927164304	5.79891521229393	0	9.25760050582223	1.0603281162588	-0.603537981269514	2.54965905721909	2.60965449644695	1.41980593607306	1.12994350282486	-0.142045454545455	0.478136959955508	0.57494014488308	0.315031172749125	20.1120001132428	17.2226435655394	4.26285954116614	4.80212115245886
"C2176627"	"2176-62-7"	"Pentachloropyridine"	"DSSTox_22179"	0	0	0	2.37029357711701	0.566899112025285	1.12682809877728	0.876740587931924	4.6029919447641	2.11388130810861	4.63378176382661	53.6959553695955	0.552940742659802	0.231753285905282	1.18215787020431	2.90740278485883	3.76540832296621	4.84896337968069	8.46035999027715
"C219714962"	"219714-96-2"	"Penoxsulam"	"DSSTox_34803"	6.97956938640505	14.2513698397032	0	4.93194638513688	0.600856723941314	5.97049331489166	3.16811446090956	-0.0638060296698039	-0.173456471801603	0.596125186289121	0.401069518716578	0.036621589887082	0.249320208901937	0.319029264154708	0.983452895232968	7.46776034359703	3.00917795506754	6.2053194721043
"C219790724"	"219790-72-4"	"SB281832"	"DSSTox_47324"	9.71248786811974	4.39236834869302	21.9732682602185	0.783315382355822	-0.0941343497785527	-2.24555263925343	-3.34892140594358	-0.178616994131157	-2.71176963936259	3.22061191626409	1.92307692307692	0.263034405833794	0	0.453631168519141	3.51143033512379	6.08580796221121	35.7185273619161	16.8767241087754
"C22047490"	"22047-49-0"	"2-Ethylhexyl octadecanoate"	"DSSTox_47178"	0	0	0	1.18258547518001	0.620318889858934	12.9623873173764	2.94885578252189	6.67380988825961	2.29895447286752	1.05421686746988	0	1.45276092035085	2.52938330204153	1.19317502167455	9.4294025300276	24.329233443734	4.05608847301	4.72359536126575
"C220860504"	"220860-50-4"	"CP-457920"	"DSSTox_47254"	0	0	0	1.2717681913433	0.00613986615091792	-1.52921900600764	-0.0895656068069862	-1.71378091872791	0.388404698749527	0.476947535771065	0.29585798816568	0.84799690655495	0.263034405833794	1.53397566315747	2.94019797660377	41.1429583134423	4.30602519060774	34.6724670912698
"C221246124"	"221246-12-4"	"Fandosentan potassium salt"	"DSSTox_47249"	13.210828560757	3.35052791999201	10.3629475742393	-0.226902077572147	0.039085059590132	8.53843816469158	5.47890581386075	3.71713508612874	4.081786063294	0.558659217877095	0.570613409415121	1.20163386116965	0	0.51631486769763	16.6069361809457	14.2065540093788	66.9160652163657	8.15686414022577
"C2212671"	"2212-67-1"	"Molinate"	"DSSTox_24206"	2.38115686592736	11.6197771030928	0	1.4624083692489	0.449797295297843	0.525464834276476	1.52490083737329	1.5732546705998	1.5881861242686	0.153609831029186	0.137741046831956	0.726029238018494	0.382295066940682	1.49957071016814	3.61287548335051	11.5835149683505	6.98136162278753	12.005513040716
"C221671621"	"221671-62-1"	"SR146131"	"DSSTox_47369"	21.2725939379662	6.16595781243288	8.65546690639398	0.613943335304017	0.13424204874019	3.88751033912325	2.42273644975928	2.24147673761537	-0.55185846453498	2.14285714285714	25.3349573690621	0.811259376513517	0.473731263670762	31.1777561328221	5.02255290048363	17.3031212669182	75.2681892381556	24.201019340455
"C22224926"	"22224-92-6"	"Fenamiphos"	"DSSTox_24102"	0	0	5.9801405779315	-0.272747596691259	1.32942807584042	8.12791472351766	1.33333333333333	2.85866477272727	2.72283933893254	0	0.27027027027027	0.941883206517643	1.15372407067512	0.192215363915851	1.53701964844459	6.2282443467119	1.16353991960043	15.2186326650681
"C22248799"	"22248-79-9"	"Z-Tetrachlorvinphos"	"DSSTox_32648"	3.29144963073664	2.67090855282628	23.68706261225	0.577992121636049	6.89405650758149	1.27302680844691	-0.491218625933651	0.749408361819615	-0.187873612297182	0	0.568181818181818	1.80860904666915	1.09996548806893	9.48469680581124	7.28058190118662	3.24944621119579	89.1588403843198	37.3544262465799
"C22260511"	"22260-51-1"	"Bromocriptine mesylate"	"DSSTox_20197"	14.2455088602101	1.36890848952591	42.2457040710414	0.172422128043573	1.03095824545361	1.43482857574384	0.193481172793571	1.08303249097473	1.01849370142053	0.596125186289121	0.558659217877095	0.381331888081281	0.101620904246993	0.47018481497882	2.19977284015542	9.0028837074135	83.0699925412816	12.8544479612251
"C2231574"	"2231-57-4"	"Thiocarbazide"	"DSSTox_27461"	6.1834792498176	13.1667840724839	33.7157848157279	0.0478305432183121	0.231356857038923	2.2755336038102	2.72160068846816	2.38307808529634	3.27048172906862	0.499168053244592	0.070871722182849	0.661810461887834	0.574275821923906	6.96237214477634	26.0421580999542	15.7342326227404	1.23146979613769	6.54705113918935
"C2243621"	"2243-62-1"	"1,5-Naphthalenediamine"	"DSSTox_20916"	0	0	0	1.16366795455065	78.6121133312577	2.3894014667613	3.17297850562948	0.706713780918725	3.76891334250344	0.417827298050139	0.13869625520111	0.484896167404355	0.175138359591192	0.117004418087296	0.536991236403584	11.5349474692141	1.4924843524858	21.9209758641549
"C2244215"	"2244-21-5"	"Potassium dichloroisocyanurate"	"DSSTox_26178"	0	0	0	-0.17443431688082	-0.0839543537069477	8.18961781783517	1.17032020436048	0.677862595419849	-0.0333555703802535	0.155038759689922	0	0.276352239151651	0.0706031819384141	1.1919507524573	16.4620721760395	10.532205176886	3.88280934522244	12.0332052723357
"C22781233"	"22781-23-3"	"Bendiocarb"	"DSSTox_32327"	1.82317099609556	3.03441105834173	19.6561024949427	1.51456583617388	0.220018494308217	3.70576762329339	0.550055005500549	3.62769653389351	2.17072593993852	0.16366612111293	0.451807228915663	0.802033662865521	1.1825593471826	2.76303452517136	5.96534292758032	1.52004674071935	4.66913122553892	7.36039750912431
"C22839470"	"22839-47-0"	"Aspartame"	"DSSTox_20107"	0	0	0	0.152136355431783	0.309994655264564	0.989583333333332	0.197185623375462	0.296704461163506	0.557665332375381	0.18348623853211	0.293255131964809	0.302090637594545	1.28465444793755	4.23816227700217	35.9015433299874	26.4392697971326	6.62079807542872	6.37343821423601
"C22915737"	"22915-73-7"	"Hexane-1,6-diyl dibenzoate"	"DSSTox_47539"	0	0	0	6.39319789705978	0.16018740203593	37.2963186481593	1.01053230856817	18.4125736738703	2.02184312663598	2.88540807914262	0.142146410803127	0.852050695748799	0.413047574769033	2.19380715718706	37.3480115454863	3.6412725924846	3.46064202135964	8.8756967003037
"C23031369"	"23031-36-9"	"Prallethrin"	"DSSTox_32572"	0	0	0	1.65026381768514	0.446882310236348	0.990629183400266	2.86054827175209	8.72197000962994	5.02637528259231	1.10935023771791	1.13074204946996	0.706799038373144	0.395206644331288	2.69706245514445	3.05942966651434	9.55038485651026	63.6766482911589	51.5044179814655
"C2303175"	"2303-17-5"	"Tri-allate"	"DSSTox_24344"	6.64014605887981	10.6066353042661	4.65775838560131	2.99170869305069	0.573896548582942	8.33877639886784	3.61948955916473	17.3479903813123	3.83522202945628	0.283687943262411	1.65289256198347	0.911468243774696	0.494109070270041	0.920575415575019	1.67475112024309	12.0534515069139	10.5433080492401	10.2424240225334
"C23089261"	"23089-26-1"	"Levomenol"	"DSSTox_42094"	0	0	0	2.96049266526178	4.47676457327968	12.9741295467808	5.30265132566283	8.48708487084871	6.23215596704462	9.84375	5.95164290142591	1.42211843151244	0.370579745178926	3.06110042085178	11.3812620410796	7.58401856417551	2.56962071717217	16.3012930824943
"C230954093"	"230954-09-3"	"CP-544439"	"DSSTox_47266"	0	0	0	0.826502040954018	0.805332158202049	4.72245236122618	1.23423116263211	3.5310926656688	1.4761441090555	1.32939438700148	0.41407867494824	0.84799690655495	0.137503523749935	6.35050716287082	5.64925496456083	5.85964372371774	5.38615940332274	30.811629538027
"C2310170"	"2310-17-0"	"Phosalone"	"DSSTox_24259"	0	0	0	4.98369818351188	0.301865818248028	3.38865836791148	2.7082268778743	9.84208007656724	4.13951525948151	1.34128166915052	0.401069518716578	2.57176928835899	0.513835375772844	1.73475516461059	2.94329710460656	5.01153431362305	12.5623886341722	26.8129847398952
"C23103982"	"23103-98-2"	"Pirimicarb"	"DSSTox_32569"	2.89113761671219	10.2000557696804	0	3.19181585677749	1.11841735513966	8.13253012048193	2.87585876338073	4.96071116755298	1.65377433982395	2.36220472440945	0.147710487444609	0.278943395348544	0.176344477399445	1.18276723712904	2.25283910391484	29.6766154562054	3.57883847873464	9.91859988474749
"C2312358"	"2312-35-8"	"Propargite"	"DSSTox_24276"	6.73406740728483	4.08541104229528	0	4.7727132038875	0.129355023857864	-0.165055411459559	0.464584375670075	3.58346516266593	0.0986112252444738	-0.615384615384615	4.95750708215297	0.463846296584722	0.2042323193734	16.1668526532361	3.4192267538757	57.4572114207511	52.9836550715967	107.065909385516
"C23135220"	"23135-22-0"	"Oxamyl"	"DSSTox_21086"	4.62171593815933	14.5600549073439	0	0.646755921730175	0.566449604406333	-0.785193494111049	-0.178716490658002	1.30434782608696	-0.528604314093272	0.574241181296144	0.408997955010225	0.330917889153273	0.910139613477193	2.44205702149633	9.64315760811176	28.5362023232992	4.21573873570744	6.29395479940093
"C23184669"	"23184-66-9"	"Butachlor"	"DSSTox_34402"	0	0	0	2.12795096981836	0.0325745838795534	2.35535074244752	-0.143363766694334	4.7584187408492	0.402649694765554	1.50829562594268	32.470892626132	0.980006224205004	0.240239616109835	1.83354754881207	3.75169122778181	4.56413434501241	75.2883607130374	11.1224119956795
"C2321075"	"2321-07-5"	"Fluorescein"	"DSSTox_38887"	58.9569626365667	88.2268032853542	61.537507749535	-2.12892660413875	-1.19859527687296	-18.304	-9.48465547191662	1.35729546311424	-0.462825609683736	0.15625	0.167224080267559	1.24494917604909	0.581525651136991	0.653655320177612	4.88708726365027	17.6138483713923	81.6634188069684	7.96419625393415
"C23386529"	"23386-52-9"	"Dicyclohexyl sodium sulfosuccinate"	"DSSTox_27826"	0	0	0	1.87836328561275	3.43602874370199	0.307944980496816	1.26453488372093	0.958843487240005	-0.208585654689812	0	0	1.16933523501449	3.64667108852031	0.908587089553738	3.57898867210627	21.5955953837983	7.21323527504356	1.98181991972946
"C23422539"	"23422-53-9"	"Formetanate hydrochloride"	"DSSTox_32405"	0	0	0	0.930729325602685	0.849369069148396	4.52953537240252	1.92082846166695	1.15900036218761	0.209937018894334	0.930232558139535	0.133333333333333	0.588279772646819	0.837203674374255	1.62747367828043	5.95381809541156	2.91629135568754	3.75858371517478	6.30041032288157
"C2353459"	"2353-45-9"	"FD&C Green No. 3"	"DSSTox_20673"	0	0	0	2.17362666315374	0.795678516680049	8.36627140974967	0.516898608349901	5.50876921888279	0.561797752808989	0.916030534351145	0.259067357512953	1.52644960553612	0.933756855210883	1.15725049956753	2.00244347186108	36.2515926566855	3.86076095969131	78.2229533189484
"C23564058"	"23564-05-8"	"Thiophanate-methyl"	"DSSTox_24338"	0	0	10.0962422607736	2.02905608311014	0.182476744505118	-2.46961975695806	-0.380039656311963	0.762937770015624	0.202971502801008	1.11265646731572	0.557103064066852	0.351201386167206	0.378864303276956	2.82380373532741	5.34886145467555	21.2366782140243	5.39107804970001	12.6584741414901
"C23564069"	"23564-06-9"	"Thiophanate"	"DSSTox_34531"	0	0	0	18.379746835443	0.619212764252767	3.16373728029603	2.46313026021157	0.592116393165284	1.77398368823585	0.592153960029608	1.27226463104326	0.386483326316869	0.0865791076601333	2.13218869516261	58.0272238468534	32.1774987617124	9.77113145986296	7.06486279416339
"C23593751"	"23593-75-1"	"Clotrimazole"	"DSSTox_29871"	15.788407129997	7.26730224624199	13.8701067615658	1.7482868126358	-0.258237447698745	8.72804683342203	1.84906661948155	4.62249614791987	0.132303358798172	14.8036253776435	28.042328042328	1.68402520199938	0.962189041219859	17.710874490566	8.59334465684352	1.98983155993882	72.2475863892268	78.5627215808474
"C23779320"	"23779-32-0"	"1-[3-(Triethoxysilyl)propyl]urea"	"DSSTox_44493"	0	0	0	3.33262426434092	1.50914998745778	15.0410209662716	10.9976872158864	13.1278331822303	12.8016236939036	0.558659217877095	15.4065620542083	0.616686039959896	-0.0377073890879497	0.516270051156798	0.811965657968957	2.76498517245287	7.64182987609395	1.62221373754751
"C2385855"	"2385-85-5"	"Mirex"	"DSSTox_20895"	0	0	0	0.924125681092629	0.215901117288282	8.01852303192785	0.822058571673231	1.89181987743139	1.98790765848296	0.149253731343284	0.275482093663912	0.524354193622346	0.222983076277545	2.59961329288322	4.33203755496568	12.0230767286563	3.19380855345815	7.30803519705586
"C2386870"	"2386-87-0"	"UT-632"	"DSSTox_27466"	11.7376022404193	12.0556346444873	22.665586388495	27.3290238470313	5.75193839015498	6.87863038826047	3.80440991660002	3.96744659206511	3.99530654150777	0.518902891030393	0.143163922691482	0.300462812411262	0	3.28862665743875	30.693625711548	7.65829166594587	10.6419083723462	3.33052953324915
"C2390605"	"2390-60-5"	"Basic Blue 7"	"DSSTox_38888"	5.31747282180557	86.7220948330866	23.7535739814153	-1.32831525348683	-0.574364302825641	-9.52775476387738	8.7347863005944	-3.18174246210228	-2.98254364089776	14.53125	11.5898959881129	0.676550223384597	0.144154678958176	50.3830120815933	1.42109938810322	33.2225753096145	89.3745385579424	115.352974607077
"C2392394"	"2392-39-4"	"Dexamethasone sodium phosphate"	"DSSTox_47429"	11.2005360844891	9.54184924500359	4.87593606795574	0.38512980002256	1.58257252842878	0.468207219453253	3.60172644738801	1.5098814229249	2.54341921145773	0.447093889716841	0.837988826815642	0.340299532160499	0.164445072127164	9.88143167628849	18.182034923686	41.3904532465413	-2.27372744609067	1.69002256078664
"C23950585"	"23950-58-5"	"Propyzamide"	"DSSTox_20420"	7.98343683785817	4.03211573740799	0	2.4369045629283	0.536087866108787	7.55721128259713	0.168096965407415	5.11556240369799	1.61751525756476	0.302114803625378	0.132275132275132	0.582628786021481	0.380179677938683	1.0723149883724	3.8566820654593	16.3127231265385	3.21449740721774	10.2396765897704
"C2396681"	"2396-68-1"	"4-tert-Butylbenzenethiol"	"DSSTox_48196"	95.7108511626967	70.4135125241532	92.7914360143276	-0.235786806496454	0.115024232633279	2.29047371160853	-0.619380619380619	0.783289817232377	1.3012748530286	0	0.14792899408284	1.14966816879955	0.468368743787295	8.47320504237174	58.1987338481306	16.4159651264691	24.3402025386161	5.90898840458153
"C2409554"	"2409-55-4"	"2-tert-Butyl-4-methylphenol"	"DSSTox_20212"	2.93961949372774	4.68680613504715	0.679328239873144	2.89112465871265	0.093518262404341	57.6810917998367	6.22136142472483	35.3542234332425	6.21821387400827	5.19247985675918	0.426136363636364	1.03347404490806	0.0564406943440848	2.9755725477676	13.669828247091	15.6550344591265	37.9812718710898	17.8543075609198
"C24157811"	"24157-81-1"	"2,6-Diisopropylnaphthalene"	"DSSTox_35272"	0	0	0	4.0560436950843	0.986616441944295	3.46342724218144	4.29963350317333	0.677048070413	1.86869793950022	0.300075018754689	0.267737617135207	1.55775282433155	0.270288701650839	2.77142600989523	5.52825007190803	8.08936804836322	2.91392925529927	5.42204848489484
"C24169026"	"24169-02-6"	"Econazole nitrate"	"DSSTox_25226"	81.4186593312024	18.7714115427574	21.9203959700094	1.60241079116043	0.961931558569608	-0.105820105820106	6.24719772829174	1.57590614603397	2.14361560923812	20.6537890044576	0.403225806451613	0.501596217490554	0.1671414277174	33.4803180202031	8.10273882524664	19.0041336908602	87.8124889135535	90.4619260452013
"C2416946"	"2416-94-6"	"2,3,6-Trimethylphenol"	"DSSTox_22187"	0	0	0	2.32128563512099	0.467052492638846	12.8821710752319	2.88071232159225	5.52427184466019	4.93302375424183	1.82724252491694	0.596125186289121	0.615642700839218	0.198675992365716	2.47429982229278	3.46007764801084	5.21412760043536	7.96621486292533	4.84761572756079
"C2425061"	"2425-06-1"	"Captafol"	"DSSTox_20242"	0	0	0	3.56010230179028	0.800876749283426	5.12048192771085	0.495286787026682	2.34145567108501	2.21392371299013	0.984251968503937	7.09010339734121	0.354278909388633	0.127317916504046	8.74921662563725	1.74898214234095	1.3359863024796	103.269827982505	99.583217435952
"C2425776"	"2425-77-6"	"2-Hexyl-1-decanol"	"DSSTox_41265"	0	0	0	0.872435746286253	32.114258074918	1.36883084264725	9.35505172793309	3.34489814073481	11.8468403627465	41.25	0.283687943262411	0.680977292068048	0.0172303706617149	2.28914897673678	1.68972336076664	0.69031611281235	15.930522784387	10.0321527291293
"C2426086"	"2426-08-6"	"Butyl glycidyl ether"	"DSSTox_24691"	6.69084132294496	5.01603265859619	14.7024254728069	1.35519872451885	0.353583121134958	1.49938260716176	1.49526678141136	2.03969507588764	0.854342156539465	3.16139767054908	0.496102055279943	0.32125691783832	0.0714793884199377	1.0347285735359	6.13527708514057	3.96421462308022	4.41131339901072	2.09391071425776
"C24307264"	"24307-26-4"	"Mepiquat chloride"	"DSSTox_24170"	0	0	0	1.94648451543321	0.760338457871529	4.96671786994368	1.87881988983626	2.38653001464129	0.774992423258431	0.904977375565611	0.258732212160414	0.133985435991384	0.0773494572299616	2.8163704951507	4.50755456221383	20.1189599539366	3.87348066565632	6.97890201642344
"C2432873"	"2432-87-3"	"Dioctyl succinate"	"DSSTox_47537"	0	0	0	0.748418964936571	1.00346858110833	5.00669344042838	3.14362336114422	2.68262484523318	0.693293142426527	0.63391442155309	0.282685512367491	0.671981720004849	0.145118334737768	1.86971256987528	3.95406692585397	18.348080665064	12.184848172235	13.3877849620059
"C2433149"	"2433-14-9"	"4-Cyclohexylcyclohexanol"	"DSSTox_40722"	21.9924544120729	7.21756182590697	11.3045610593428	20.226439421411	1.65975203061903	73.322005097706	51.5029387069689	82.6980942828485	39.9824308213591	2.3643949930459	3.25329202168861	1.81429452225247	1.33885103147462	0.399816233346947	16.0165200018911	7.84646230516824	4.92785611968132	4.47065089230238
"C2440224"	"2440-22-4"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"DSSTox_27479"	6.34991220922893	8.86892112665676	69.9364395510877	3.71311366944555	1.36911043964782	23.1356043666974	15.824802819265	4.62413452027695	10.4945555068604	0.342172797262618	0.141043723554302	1.90363550423466	1.6290589819187	9.50972192233954	91.7286122427936	17.5881242832136	4.05349954749305	8.61309094213395
"C2445774"	"2445-77-4"	"2-Methylbutyl isovalerate"	"DSSTox_41440"	0	0	0	0.645308663126036	1.15464792600267	9.97852541159627	1.83134806107992	6.63170545176445	1.45749311184762	1.15702479338843	0.274536719286205	0.33646461681039	0.236640407750006	1.12534608513163	1.08148654734404	10.6840073248825	2.76615118369029	15.1085953529383
"C2451629"	"2451-62-9"	"Triglycidyl isocyanurate"	"DSSTox_26262"	0	0	0	3.67069229460793	0.727989638429686	4.60636515912898	0.154537791514471	5.49148399908348	-0.954669871152948	0.164609053497942	0.130548302872063	0.232137728408126	0.025965502362089	4.42572235426373	2.04642013989699	8.12415730340697	3.2622337520592	5.67658114043256
"C24549062"	"24549-06-2"	"2-Ethyl-6-methylaniline"	"DSSTox_27833"	0	0	0	1.86568135099269	73.293219162231	6.5265732710696	22.6132273142427	2.20277386338352	0.859333214476734	0.168350168350168	0	0.873235375418691	0.143772713586348	2.56914051432905	27.9189778378418	5.24760397290219	4.64298910772994	4.91591682521285
"C2457014"	"2457-01-4"	"Barium bis(2-ethylhexanoate)"	"DSSTox_44888"	0	0	0	1.30834007326704	14.8725423123829	-1.03326612903226	51.4137636948107	25.5072657871827	68.1718761024483	2.65120132560066	96.8681718863802	0.261717477361802	0.153236693384164	1.83431165873131	7.32925727228295	14.4305121952319	6.52791211258212	10.1064161076342
"C24602866"	"24602-86-6"	"Tridemorph"	"DSSTox_41376"	2.09407952930419	0	0	1.72801927771965	0.412940792014497	14.2666962502774	1.99095022624434	7.50584364990044	1.7768341062748	4.15647921760391	2.8169014084507	0.532020944561987	0.202938971570474	2.01039681047249	2.75986210183412	10.2309498871426	0.962833017218686	8.05207774861655
"C2465272"	"2465-27-2"	"Auramine hydrochloride"	"DSSTox_20114"	4.36665641698044	3.81922238710519	18.8314799404897	0.858672133014463	0.123681338668607	5.59181513494444	-0.193631669535284	4.69061190852277	1.13612518360862	0.831946755407654	2.62225372076541	1.09070430211008	0	1.69296413154886	8.56804489623714	0.995077852050944	76.1312610575726	102.925609016142
"C2467029"	"2467-02-9"	"Bisphenol F"	"DSSTox_22446"	5.55357627578719	15.4762701802779	5.7846029704718	16.3371203845313	15.2627505950034	48.6925036878101	90.7694269140052	75.9966000849979	68.2742258763857	0.153846153846154	0.291545189504373	2.56381799624307	1.21892676691785	12.6427877910748	10.4056657090301	12.736876897469	8.68028926113296	13.2999980949855
"C24800440"	"24800-44-0"	"Tripropylene glycol"	"DSSTox_27837"	12.3267526929157	8.33254320771552	0.623956760193943	1.23064708217547	0.776359351732713	5.56359331842694	0.274095206130782	9.74282888229476	2.87563631460068	1.8819503849444	0.423131170662906	0.198310601732362	0.0881644294014738	1.30363241052286	5.2857738373167	24.6950113993209	6.91554091434144	13.1306797021393
"C24851987"	"24851-98-7"	"Methyl dihydrojasmonate"	"DSSTox_29325"	0	0	0	2.07351312366381	0.558472394074173	2.61958997722095	0.597884409014258	4.83994878361075	1.25914240642478	0.141843971631206	0.701754385964912	0.333647494104215	0.235612526095809	1.83397588665566	28.3593137147691	42.302767954953	5.24559970629727	5.76552127506608
"C2491385"	"2491-38-5"	"2-Bromo-4-hydroxyacetophenone"	"DSSTox_34576"	21.5142503925958	70.1931794916791	36.545472959287	1.85559957814326	2.89274588340009	10.2748154224774	28.4421314628352	6.69578971153122	8.34161192116648	0.657894736842105	0.14194464158978	1.82224314882427	2.74301435063746	0.920695491319438	19.4672431004048	22.3339067964977	1.41181382783153	11.7142502779448
"C2492264"	"2492-26-4"	"Sodium 2-mercaptobenzothiolate"	"DSSTox_26035"	0	0	0	2.7105270626969	0.901217081761322	2.99298295861378	3.06883867577509	5.9124648067571	1.4059179336276	-0.177619893428064	0.582665695557174	0.250543461650593	0.566748637842617	1.0475703947444	9.13252012408428	4.03515562474059	8.27238082918841	10.7398926563612
"C249296433"	"249296-43-3"	"CJ-013610"	"DSSTox_47272"	7.16208825880275	3.80920581045563	0	10.3665886690775	0.457936892212739	31.0240048617441	10.184225217322	33.9437896645512	2.65353679621138	1.11731843575419	59.6291012838802	0.584962500721156	0.37851162325373	11.2366361857924	0.196137706700554	50.2546879398087	46.9673200107866	107.516577024614
"C25057890"	"25057-89-0"	"Bentazone"	"DSSTox_23901"	0	0	0	2.67556620457528	0.805352830875905	4.48092280390417	2.48661336462994	4.82912332838039	2.67069898198236	0.317460317460317	0.13840830449827	0.426083069468228	0.247469413214	2.73715083247251	4.08766496080388	3.56621357242874	6.34511323895471	9.60370134856197
"C25155184"	"25155-18-4"	"Methylbenzethonium chloride"	"DSSTox_35708"	21.0755769250484	97.8883646486418	19.3436732105583	18.5593485750078	50.9659717704297	60.6684672518569	332.459736456808	35.8567774936061	53.2440614176235	66.1870503597122	90.7366885485047	0.294542207092287	0.439946991861461	80.8050285217927	2.56263171592359	40.1434032147295	51.6077786531569	101.102848174125
"C25155300"	"25155-30-0"	"Sodium dodecylbenzenesulfonate"	"DSSTox_25219"	52.3910285822245	42.2309039172643	99.4439759671129	0.550165889714838	0.0621737921104731	-0.994600738846254	-0.489494690865277	0.983020554066131	-0.052206738685193	28.5923753665689	0	0.618006584711947	0.359953354765124	1.95554367431994	2.35575018878672	5.32965985061633	38.143789657402	9.11785592662068
"C25168052"	"25168-05-2"	"Chlorotoluene"	"DSSTox_27852"	0	0	0	0.641358170242867	6.27989466329876	2.85068441542132	6.14131631080784	3.18477003825283	8.47847991938966	35.46875	0.141843971631206	0.245339539511595	0.0244994556854215	2.08944883294479	11.1804522888265	12.9308252526899	3.43440179346531	10.3142474094508
"C25265718"	"25265-71-8"	"Dipropylene glycol"	"DSSTox_27856"	0	0	0	0.98546723417309	0.195642978003384	0.380952380952381	-0.955943474646716	2.51670695293616	1.03224773945747	0.853374709076804	0	0.357751132286512	0.119016053793258	2.5287311826718	5.79625679394187	11.4683636971342	11.202208715542	4.42836342382917
"C2528167"	"2528-16-7"	"Monobenzyl phthalate"	"DSSTox_43938"	0	0	0	3.91954928212273	-0.119444889113276	5.37513997760358	0.50526572106897	1.16017627484486	0.00358667192711843	-0.246305418719212	0	0.260953455910004	0.143622375626611	1.65566362174165	21.2941944126602	1.21469220279987	7.50103993325374	8.62684950279433
"C25322694"	"25322-69-4"	"Polypropylene glycol"	"DSSTox_27863"	12.4058428338762	5.43541492778917	10.3293507807067	1.6873098318837	0.993399739215766	0.650010156408695	0.274630964641264	2.17726991970352	0.316408906762871	0.0788022064617809	0.449438202247191	0.480344938431746	-0.000344441935714424	1.11860226790976	1.27527084038701	0.619264325138635	10.7621726479565	7.71836659573084
"C253450098"	"253450-09-8"	"Besonprodil"	"DSSTox_47270"	0	0	0	1.25347533104001	0.803692369437616	-0.215775593382874	0.240673886883273	1.16513233601841	0.411674915583514	1.79372197309417	0.97629009762901	0.84799690655495	0.485426827170242	1.28522588572319	27.4229097209098	3.42018829404041	3.12759774849449	30.8289818991814
"C25360105"	"25360-10-5"	"tert-Nonanethiol"	"DSSTox_27868"	0	0	0	1.86556842978763	-0.0470487021279452	2.80316879951249	0.183087309760842	0.0617665225447808	-0.298666351243456	0.0788022064617809	0.449438202247191	0.620607296740731	0.162366685555729	1.34425080504845	18.5515816278793	9.37119153108575	7.23333270288804	10.580318253521
"C25496724"	"25496-72-4"	"Glyceryl monooleate"	"DSSTox_27875"	0	0	0	2.40836617469026	0.175010311117056	4.70766894457099	0.245285911390465	2.68886043533931	1.76394665136957	0.283687943262411	0.280701754385965	0.322631816107499	0.131602922310247	0.87703657351187	22.4013573350515	5.1040515486827	21.7465079606222	8.21617967968914
"C25498491"	"25498-49-1"	"Tripropylene glycol monomethyl ether"	"DSSTox_29329"	0	0	0	0.799521142417376	0.222490383890188	0.701590271281572	1.01063362334124	2.71340569081843	-0.319205532895904	0.881057268722467	0.420168067226891	0.459126631433539	0.185673709683942	2.08357857091544	1.92469326646362	4.72215830406183	2.51677882839052	8.05145862224458
"C2550405"	"2550-40-5"	"Dicyclohexyl disulfide"	"DSSTox_47628"	0	6.05475986422308	0	10.8852381515187	0.475059382422803	40.1412776412777	1.48157860233381	26.3262313465022	3.7738685911893	8.10810810810811	0.464396284829721	1.80373066844642	0.808462557460107	0.550769349091553	6.52375994582936	5.35772661942814	7.19423491174012	8.10962848021986
"C2554065"	"2554-06-5"	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	"DSSTox_38808"	2.51139501987113	6.27019216992803	21.1419068736142	30.877212147695	3.67807029071211	30.2132224755264	77.9180212915153	24.1818954526137	16.0878635415388	36.3076923076923	5.24781341107872	2.71443985928976	1.11799179995132	0.941173819266098	2.95841265576828	14.0817383552566	5.02525273457917	7.62697631810387
"C25550985"	"25550-98-5"	"Diisodecylphenyl phosphite"	"DSSTox_27877"	0	0	0	2.78200832571835	0.81564384240522	7.9449804968179	3.90988372093023	4.67620593007818	3.05477055577984	0.751314800901578	0.454545454545455	0.951243651098344	1.45876615865184	1.73890982881998	15.3644886110402	23.7724639411325	39.0540894045702	5.75598695154802
"C25606411"	"25606-41-1"	"Propamocarb hydrochloride"	"DSSTox_34849"	0	0	0	0.677492203462737	0.344566148687382	-0.528789659224442	0.259529602595295	-2.61519302615193	0.546831183398767	1.85185185185185	0.434153400868307	-0.00384344121785433	0.184249675484795	2.27696639675591	3.59858199633969	6.10198222995474	5.13046812110341	1.84568068456378
"C25638179"	"25638-17-9"	"Butylnaphthalenesulfonic acid sodium salt"	"DSSTox_41703"	0	0	0	-0.398509280100365	0.954132658926313	2.72959909013364	1.66179412217264	0.880603842634951	1.56315052420423	0.58055152394775	0.272108843537415	0.540420748284869	0.287066268892044	0.969499409767219	4.26714943557023	14.8580541127836	4.20615966879	8.00676238140614
"C25812300"	"25812-30-0"	"Gemfibrozil"	"DSSTox_20652"	0	0	0	0.312593033640965	2.49898689720384	-3.83375134360444	1.69975523524612	2.8092303282213	1.1936943777906	0.452147701582517	0	1.31479442650829	1.37221821677222	0.360645052496117	6.88916643337779	7.51751249741401	19.010610233862	10.8193961007491
"C2593159"	"2593-15-9"	"Etridiazole"	"DSSTox_32547"	0	0	0	0.753665929384779	-0.196417715007249	1.13268608414239	-0.0143595634692705	4.54769331801018	1.78452523638301	0	0.13986013986014	0.917541209712923	0.274971025601484	1.78015206155095	6.14733801894939	10.5925693641917	7.27900232551595	8.03998735479688
"C25956176"	"25956-17-6"	"Allura Red C.I.16035"	"DSSTox_24436"	0	0	0	3.29084755526752	1.86574548856624	31.2698025834755	21.7845521493406	34.3636202149392	39.6848662513741	0.149253731343284	0.137741046831956	0.143376207385972	-0.00370310445987617	1.14844103806484	4.18052944618337	12.1159778983194	6.98170496509054	50.7128013758768
"C26002802"	"26002-80-2"	"Phenothrin"	"DSSTox_32688"	0	0	0	1.26720616169238	0.289284887757463	5.92617300422504	-0.0698436576586264	-0.0815842171623518	3.09859154929578	0.336700336700337	1.35135135135135	1.90373411398921	0.708061646042752	0.672432484296851	2.91373944316406	7.34244817155843	16.2858355806517	10.8235552007249
"C26027383"	"26027-38-3"	"Polyoxyethylene(10)nonylphenyl ether"	"DSSTox_36588"	24.4893216584996	8.01520716382709	50.7916281736804	15.056239248379	0.122887420665327	67.3023806392214	30.3015047267439	104.574678536103	30.6273809122476	13.3447390932421	12.6939351198872	0.876425656194624	0	7.84437264335415	4.48220348656755	95.5158632893637	65.7573886340123	100.629969140527
"C26040517"	"26040-51-7"	"Bis(2-ethylhexyl) tetrabromophthalate"	"DSSTox_27887"	0	0	0	0.710732054015637	1.06756421904683	0.882775610757543	3.02325581395349	1.65216108570585	1.48028529134706	0.150262960180316	0.909090909090909	0.307473050362979	0.141666487708217	0.697458479523382	1.07147308253307	50.5209738853255	3.30495930188549	3.59532778204481
"C2610119"	"2610-11-9"	"C.I. Direct Red 81 disodium salt"	"DSSTox_41726"	0	0	0	0.964966487617056	0.16126709863211	7.89212988442488	2.3990568818155	7.82608695652174	1.96473201888364	0.32626427406199	0.292397660818713	0.234757775117201	0.16156352737717	0.396160259867516	1.49511332794681	10.3938106643531	16.8054796570862	55.3492762328526
"C26172554"	"26172-55-4"	"5-Chloro-2-methyl-3(2H)-isothiazolone"	"DSSTox_34286"	0	0	0	4.30889759373251	0.52451919074182	0.144717800289436	-0.534514355528406	0.843486410496721	1.09353094332065	0.478468899521531	0.281293952180028	0.2510408098392	0.183325571882122	2.95689584376192	6.34421875775813	2.66287834607479	2.35797408131899	7.49730305599383
"C261947380"	"261947-38-0"	"CP-532623"	"DSSTox_47279"	0	10.1480796211318	0	5.67656451074782	0.928280199196594	4.47601179308497	4.44887574778244	2.59750451228125	1.75650077492681	1.15894039735099	0.520446096654275	1.48542682717024	0.137503523749935	3.16265478350547	3.50563069818834	8.05368764123009	7.4584933250943	10.7997827913573
"C26225796"	"26225-79-6"	"Ethofumesate"	"DSSTox_34580"	0	0	0	3.23799924404687	0.543202604754659	17.3628871838591	4.42051359289103	9.20464700625559	1.29713666117827	40.6158357771261	29.7372060857538	3.40087345854065	0.426016444369999	9.04893659932083	3.98715779168211	10.9497826818513	8.21165777969232	77.3823711664097
"C262376750"	"262376-75-0"	"HMR1426"	"DSSTox_47338"	6.29929783826763	3.02395471144269	10.1054040488539	1.39468277193201	0.436857509479664	10.8985507246377	3.64520048602673	5.93007219923745	3.30294168243592	0.897666068222621	4.88922841864018	1.40673864687442	1.13451523144049	1.47827613272629	43.3714922607695	3.62574724273472	56.6195779323418	21.0629762832873
"C26264062"	"26264-06-2"	"Calcium dodecylbenzene sulfonate"	"DSSTox_27891"	45.8080613989652	101.158077591199	89.0473720608575	0.44543429844098	0.8400843829187	3.76521116678597	4.10872645222228	3.90036053752868	3.54190791838039	8.7603305785124	0.137268359643102	0.255832169142905	0.450041094012087	1.01141773407954	5.17523889849908	1.5776980663097	64.5444161734233	14.5102162118832
"C2627954"	"2627-95-4"	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	"DSSTox_38810"	0	0	0	1.18860088787054	0.887741300872987	2.71191693785836	-0.0838926174496645	0.921530298799218	0.641269841269841	0.296296296296296	0	0.43565242909649	0.0728438271010204	0.918007010685288	1.34257189714042	4.88687605468982	9.14474809326909	8.02234337575244
"C2634335"	"2634-33-5"	"1,2-Benzisothiazolin-3-one"	"DSSTox_32523"	0	0	0	-0.349808169713382	0.498314946567964	2.94396961063628	0.422868741542625	-0.0546697038724354	1.58887293966243	7.36196319018405	0.426136363636364	0.71165669517622	0.0667741380983568	1.27736015745047	2.69423491941184	0.10307535682862	25.9751841874163	25.0251765836915
"C263553339"	"263553-33-9"	"GW473178E methyl benzene sulphonic acid"	"DSSTox_47313"	0	0	0	4.81565396498455	2.35145665048678	4.26247896803141	12.8350934199838	4.38003220611916	6.34325176911928	3.6915504511895	1.0906612133606	0.84799690655495	0.137503523749935	5.10581912309683	5.36574194213118	27.2671173887719	6.00515107621566	19.9433734827847
"C26402266"	"26402-26-6"	"Glyceryl monooctanoate"	"DSSTox_42006"	0	0	0	0.504706816377452	0.734083319226211	0.791336942940444	-0.313346433692709	2.20709086640056	1.15677215409734	0.336700336700337	0.272479564032698	0.194289549841518	0.157668939699417	0.843008406515929	10.9283982975604	43.0360388960413	3.71054959941559	3.938643786863
"C26447109"	"26447-10-9"	"Ammonium xylene sulfonate"	"DSSTox_27899"	0	0	0	0.633602796591653	0.573831530071401	1.75673863483975	0.312360553324408	2.43943901402465	28.5965558146194	0.307692307692308	0.145772594752187	0.740251455467905	0.0024964447151394	0.686705837902357	1.95616342696432	10.0094167021756	3.46317332791211	9.37237671570521
"C264618442"	"264618-44-2"	"SSR146977"	"DSSTox_47341"	0	0	28.0076147113082	0.149694852800062	2.01828795258867	-0.121457489878543	40.7771535580524	2.43736730360934	12.3205118666766	0.434512725015518	0.264900662251656	0.213147038429016	0.208988862878539	0.717959221682259	3.65708574732334	13.5114564182266	7.70178033663425	6.50352793969676
"C26530201"	"26530-20-1"	"Octhilinone"	"DSSTox_25805"	23.2351919433571	9.53803104201263	16.1098452734209	1.84552008238929	0.606976080168738	4.03813796971396	4.41917140536149	7.53623188405797	3.99010998380084	2.70713699753897	0.5453306066803	2.2552057875141	0.129091511367646	11.2283069482947	2.65978210350498	5.30124330683819	67.5856041518067	38.6746201432038
"C26628228"	"26628-22-8"	"Sodium azide"	"DSSTox_20121"	0	19.672604095682	0	4.54349930100011	1.54284270154654	7.40305522914219	1.76804541768045	1.32591018972969	0.0140213123948417	0.56980056980057	0.144717800289436	1.08467745948246	0.232421775900342	2.04214194902519	5.93084575210476	33.5477714169796	14.4907741065835	35.0996366562585
"C26644462"	"26644-46-2"	"Triforine"	"DSSTox_32654"	0	0	0	0.254741013303142	2.36701614459381	2.19545366232757	9.52141057934509	0.539117352056168	2.07976832960379	0.910470409711684	0.255754475703325	0.77806580648674	0.214799272014223	1.40593379587381	1.69412136757121	8.78192744010648	4.16562448555819	8.88307611002141
"C2675776"	"2675-77-6"	"Chloroneb"	"DSSTox_24793"	0	0	0	2.79046558937551	0.527781663720416	9.1497975708502	2.18476903870162	4.35668789808917	1.97901941819805	-0.0620732464307883	0.397350993377483	0.474785750455868	0.319653256928901	1.52370203160271	6.08554921111742	7.96929757530012	4.60223838281697	5.60066561892332
"C2687254"	"2687-25-4"	"2,3-Diaminotoluene"	"DSSTox_27494"	0	0.292572069358368	0	0.350399727844872	0.417908162288733	-3.01507537688442	-0.533857825231807	0.649201863591232	-0.313772614994326	0.493827160493827	0.130548302872063	1.56075519383374	0.263611599296539	1.04841682518236	24.201674086055	2.07247350286488	3.06635325923675	23.4883355091128
"C2687947"	"2687-94-7"	"N-Octyl-2-pyrrolidone"	"DSSTox_36435"	0	0	0	2.01368781258226	0.0561072771138417	0.459468329504431	7.06422018348624	0.941059930658743	0.769569041336851	5.51839464882943	0	0.199531463527642	0.053549468276734	0.88935731352453	4.62786526398724	4.26495732955604	18.7956354474801	3.52413506641167
"C2687969"	"2687-96-9"	"1-Dodecyl-2-pyrrolidinone"	"DSSTox_42206"	6.55538062243284	8.38324675539756	25.4567022538553	3.22323007587427	0.505874893766272	5.19077196095829	2.01716423384435	15.5274888558692	1.46100438727265	2.53968253968254	1.93771626297578	1.06317261906414	0.219459575859576	12.8634810935313	15.6937560321256	12.3961170715439	85.9942417725611	37.2341544810951
"C26896208"	"26896-20-8"	"Neodecanoic acid"	"DSSTox_27916"	0	0	0	4.86908948808128	2.85035629453682	1.44964720974984	1.85059037238874	4.96138544348233	1.11928803696731	0.696864111498258	0.158730158730159	0.563999758452838	0.901564311508772	0.687040245592695	2.89871471569358	11.4085421443882	7.3143575593635	7.7094103052315
"C2694544"	"2694-54-4"	"Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate"	"DSSTox_44901"	0	0	0	4.64806148922241	2.84758102395491	3.71834284877763	3.52776362710137	2.17778543929207	2.44633322436526	0.332778702163062	0.719942404607631	1.66702074917583	2.56729819383892	0.678289858168964	2.64921364304249	26.0874927832187	7.87107237987743	9.16021687337571
"C2696846"	"2696-84-6"	"4-Propylaniline"	"DSSTox_48180"	0	0	0	8.65149567803231	0.549534090662264	10.1998974884675	5.38728323699422	-0.205609013899169	1.54272479113244	0.285306704707561	0.475435816164818	0.56945688357597	0.194185230555067	0.730711684480591	6.93553780549999	4.03271871915568	5.15544303708572	4.74231988722025
"C2702729"	"2702-72-9"	"2,4-D sodium salt"	"DSSTox_27496"	0	0	0	1.91602119853241	-0.043959453868432	2.28858156896341	2.15329402717252	3.32142106369561	1.79666958808063	5.90137429264349	0.282087447108604	3.06146240223555	2.2067871308289	0.607347375607297	32.5999870234337	13.4825265373401	6.44698658237838	5.12212487141158
"C27090637"	"27090-63-7"	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	"DSSTox_27920"	0	0	0	7.58002898168884	0.284692313307541	5.46772068511199	3.03512259774685	3.40724716062737	4.14241234601327	0.305343511450382	0.518134715025907	0.29454403170528	0.141279445691355	0.937472319354125	1.24401310327165	6.8006739627078	3.42476589472686	8.10985816516473
"C27138314"	"27138-31-4"	"Di(propylene glycol) dibenzoate"	"DSSTox_27921"	0	0	0	30.1278772378517	2.29303658742202	51.9879518072289	9.9696437130532	18.5967140249226	3.76989419400729	5.70866141732284	0.443131462333826	0.747792910764724	0.460339422639228	3.25555276531483	47.4329857601516	29.0906464860421	2.68881216571632	8.32856520866118
"C27176870"	"27176-87-0"	"Dodecylbenzenesulfonic acid"	"DSSTox_27923"	63.6546921810477	97.0903632393807	99.0921974949247	2.1448087431694	0.742089912253714	7.95597484276729	4.28628125413414	3.08774672659761	1.73858476984977	23.6905721192587	1.61764705882353	0.923028768005324	0.557368410276299	0.186229888226293	0.306655772408038	3.00000142899152	61.9751634197087	7.25785395933293
"C27178161"	"27178-16-1"	"Diisodecyl hexanedioate"	"DSSTox_27924"	0	0	0	-0.0819672131147542	0.555029105184784	6.19496855345912	1.0318825241434	3.47860074262263	1.34731091506404	1.28928283642224	0	0.64372040032186	-0.0376968029433626	1.77612937913432	40.2225522660098	11.5243692484791	14.4142557779837	14.9239497479526
"C271896"	"271-89-6"	"2,3-Benzofuran"	"DSSTox_20141"	0	0	0	0.765457259994787	1.51118275236752	4.7739221871714	0.302617642608564	3.40475262952863	1.58760797181875	1.53609831029186	0.420168067226891	0.362312478269675	0.128910125819332	0.201494105799567	1.09675914016474	3.4102175544601	2.39370661835135	3.55143965957558
"C27193868"	"27193-86-8"	"Dodecylphenol"	"DSSTox_27926"	12.3315936400049	41.3546261984589	6.08557225046082	86.4493400813734	129.312440902337	139.699032604801	117.60946423715	58.3345277339831	61.9293503022203	111.529766390354	90.1339829476248	3.07743559462656	3.1472501470947	48.5143538879034	73.9571018975713	146.133375251468	62.6074264221678	98.4178885582313
"C27253334"	"27253-33-4"	"Calcium neodecanoate"	"DSSTox_44902"	0	0	0	2.98854346102316	-0.222325913320341	0.277481323372466	-0.128040973111396	-0.00845379998309335	5.60906515580737	0.666666666666667	0.154918667699458	2.12792189206656	1.10237068852587	0.942690115283581	3.85037668241128	3.58570732154218	19.9087806229031	11.0775144608916
"C27306781"	"27306-78-1"	"Silwet L77"	"DSSTox_40611"	6.13466541384622	4.94787557085815	26.5241498588397	9.48056506098096	0.314200751837514	40.3347554972104	40.5045871559633	86.6022783556216	35.0703605980651	2.17391304347826	15.2748037116345	0.392651944306468	0.286802571766749	10.4811087630695	1.65479475135932	103.919349893446	58.9411541495892	106.211401585229
"C27314132"	"27314-13-2"	"Norflurazon"	"DSSTox_24234"	2.61846637249202	8.68571702113879	13.4114298226407	2.0901614000371	-0.0193458023478067	1.84903197737655	-0.256565046785389	-0.762107678439728	0.102651839178783	0.318979266347687	0.253646163601775	0.257652730419087	0.211845503483281	1.37390595147547	24.1943341555877	19.6706347833751	3.30940762223365	3.66873344179845
"C27323417"	"27323-41-7"	"Dodecylbenzene sulfonate triethanolamine (1:1)"	"DSSTox_27932"	0	0	0	0.790130302190186	0.700121463567754	4.36979035109876	0.864971937933311	1.51843817787419	-0.462812601493991	0.347826086956522	9.18674698795181	0.856430243885789	0.839535327806757	2.60773029087746	40.5358801986166	1.57724592959115	11.3057649215726	5.41094110709229
"C27344418"	"27344-41-8"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"DSSTox_36467"	6.7562510892632	14.5277419101438	15.3209246870239	8.14747612207354	1.73548513217055	30.0871348026653	1.98073217726397	31.3430380787894	2.89105798659939	0.285306704707561	0	0.50162421407665	0.30033056368945	59.5699425515067	5.17588689391343	2.31390421553038	4.07341992589786	8.41066265276005
"C2756561"	"2756-56-1"	"Isobornyl propanoate"	"DSSTox_42062"	0	0	0	0.137259242860306	1.22088492510174	3.68090898331163	2.93801302009624	3.96468432450441	2.23773898586866	0.3125	0.148588410104012	1.17935392666339	0.368457071664128	1.02578611012195	4.38988178849129	8.77068882520456	2.66667205059	10.6619209274463
"C2761242"	"2761-24-2"	"Triethoxypentylsilane"	"DSSTox_42491"	0	0	0	-0.00877423883478109	1.21191718565898	2.06760748276994	0.745412844036697	3.76423972263497	1.12870126062738	5.85284280936455	0.285510349750178	0.0476982643183489	0.212387297777697	1.00199570243993	2.45597902365938	23.2887378895041	19.1968670276496	6.16471431676836
"C2772454"	"2772-45-4"	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	"DSSTox_29241"	3.38221477128277	16.0581061614565	19.2586057361605	7.15032574599855	1.86789934568183	13.1383855024712	14.4595622411899	26.9300144300144	23.5789086900606	5.43337645536869	0.268456375838926	1.51661553074997	1.41474791777629	72.0664030330837	22.2117837475464	4.36427004208065	1.88174459661696	72.4400138260924
"C2782572"	"2782-57-2"	"Troclosene"	"DSSTox_24993"	0	0	0	0.755756804228371	1.94539903541246	3.39827820570911	2.75338592052389	1.00703021090633	1.52103993567408	0.14903129657228	0.139664804469274	0.152771046109868	0.124053845823908	0.142361603070351	1.68356625479726	4.34573898262033	2.69366337109816	5.58814150665781
"C2783940"	"2783-94-0"	"FD&C Yellow 6"	"DSSTox_21456"	0	0	0	2.09268795056643	0.641976218327178	7.79584969153112	3.03818034118603	1.22383252818036	1.76485633898883	0.574241181296144	0.136332651670075	0.333571418729131	0.049871659590277	2.46023079718043	1.12057661948026	7.9749730783872	2.32805732228175	11.5411273324776
"C2795393"	"2795-39-3"	"PFOS-K"	"DSSTox_37706"	30.4581713675135	7.20010282917601	13.9127314053294	1.99207862696201	1.04822429906542	15.2300712896954	18.2067865686188	5.21458237194278	6.95101450408538	0.412654745529574	0	1.79900103894061	1.53997504594785	2.11960315596302	13.5106123992585	4.96938545098086	30.4137806056572	11.5173339288264
"C27955948"	"27955-94-8"	"4,4',4-Ethane-1,1,1-triyltriphenol"	"DSSTox_37712"	91.9634696211197	90.4523259589641	69.8898727583898	177.896174863388	135.974746791046	137.389937106918	188.120121709221	81.1803791283955	90.210771104795	90.7332796132151	97.6470588235294	1.91657540145286	0.766370232734996	11.7186963529563	116.198770064405	85.5603555544966	108.785675602615	4.35786416171637
"C2807309"	"2807-30-9"	"2-Propoxyethanol"	"DSSTox_27500"	2.95803621715016	4.39419404125286	10.0069988424991	0.298474463851426	0.150704845227458	0.956106040851804	1.33075001274665	-0.782350179940542	1.15117495956617	0.66006600660066	0.306278713629403	0.292783823974854	-0.00434474324286376	0.609876892329266	4.15007815659948	11.9651094785509	8.0001841059148	9.91765081710153
"C28159980"	"28159-98-0"	"Cybutryne"	"DSSTox_32416"	0	0	0	0.878345310769389	0.848298387006877	3.79650721336371	3.77127088762839	2.15962441314554	3.46192456618385	0.283687943262411	0.421052631578947	0.542447602104854	0.257718826063963	3.58817270853855	1.77399934659202	8.46028513649629	7.67314316611834	16.1050436053137
"C28249776"	"28249-77-6"	"Thiobencarb"	"DSSTox_24337"	0	0	0	0.89061856827452	0.0838912640154877	10.6291834002677	1.26638855780691	12.133718530747	1.21326299924642	1.90174326465927	0.565371024734982	2.26142943681194	0.469775827062324	2.06202857745234	16.7149431592671	9.74148653376678	7.4617959596403	8.75791275425395
"C283594901"	"283594-90-1"	"Spiromesifen"	"DSSTox_34929"	0	0	0	0.343428036216047	4.08242564019002	1.13131891737076	1.33473462953231	-0.179165600204761	0.629393493542586	2.30905861456483	0.291332847778587	0.216914092705537	0.543883652927055	1.58106502878006	6.13277940951952	12.3099287887941	8.88615807398401	7.68554258768204
"C2835952"	"2835-95-2"	"5-Amino-2-methylphenol"	"DSSTox_24489"	0	0	0	2.88114718043459	0.0127930405859213	8.96017699115045	2.60673768078289	1.79712460063897	2.73942485269545	0.225733634311512	0.415800415800416	0.416768387357964	0.481935965037403	0.0773817628402908	1.5282100269944	1.72627500692592	0.984972866413024	7.92263355881741
"C28434006"	"28434-00-6"	"S-Bioallethrin"	"DSSTox_39336"	0	0	0	3.1495129985544	-0.0527714611937865	-1.19873817034701	1.64926615221667	0.927152317880793	2.0991169232254	1.22887864823349	1.40056022408964	0.801639322275153	0.361040802226353	4.81940999536556	2.56220608355097	12.0997372833677	62.7101409353011	82.6508319335439
"C28631665"	"28631-66-5"	"C.I. Acid Blue 22"	"DSSTox_44904"	0	0	0	1.22181337862062	1.15134752685405	2.62288711870993	-0.772460117548279	-0.727181544633902	-0.53968671844149	1.82094081942337	0.255754475703325	0.225703694464054	0.0341475849494338	1.3955303662375	11.6986777173005	3.39603466462925	5.76236611599635	10.1039918748679
"C2870328"	"2870-32-8"	"C.I. Direct Yellow 12"	"DSSTox_41728"	25.0301969119561	90.2494490058734	96.3944870628007	0.218942379517296	0.821545218428474	5.77069096431283	1.76299248811896	3.28638497652582	1.13867775706296	0.283687943262411	-0.280701754385965	0.0154579273181543	0.109940427617762	0.772597223810385	1.54632873857281	9.05513402817011	21.9064040632949	4.88267206205315
"C28804888"	"28804-88-8"	"Dimethylnaphthalene"	"DSSTox_25130"	0	0	0	15.2087901010559	0.597319663763331	19.1525713309414	3.18304431599229	3.62694300518135	3.78443212838117	0.427960057061341	0.316957210776545	1.14116153379762	0.592126831247576	0.825444250678564	5.18474312677133	43.9014178324269	6.73088756136982	4.35909255177186
"C288104790"	"288104-79-0"	"Surinabant"	"DSSTox_47357"	13.6553448413437	15.4145042480224	9.27632318238004	3.87891495216879	0.240890039962683	14.9158444573418	-0.00699251800573309	7.35977134690961	3.65916955017301	10.3338632750397	0.79155672823219	0.745059462309398	1.49598501886882	7.66849760329607	81.3698555336096	73.9961847087037	89.6862130960231	78.9400653909096
"C288324"	"288-32-4"	"Imidazole"	"DSSTox_29616"	0	0	0	1.45901532724868	2.13238913323066	-0.252312867956268	1.93792581377744	1.47789146173637	0.981347891076884	0.14792899408284	0.397350993377483	0.342072666310426	0.0116024126384875	0.734874101266049	3.45045436158401	6.46799220043891	8.98018836910675	0.885649894362947
"C288880"	"288-88-0"	"1H-1,2,4-Triazole"	"DSSTox_27131"	7.67554643989461	3.68879979705631	18.9337312021745	0.981008678153692	0.349474108673006	3.23821737736454	-0.824726948510289	1.17312477781728	-0.969797727902466	3.82059800664452	0.212765957446809	3.83639555253858	1.93176943707632	1.61532239987634	1.54313546265182	11.5526512518232	6.01849829591718	11.0119596982889
"C2893789"	"2893-78-9"	"Sodium dichloroisocyanurate"	"DSSTox_24994"	0	0	0	1.92970954593393	0.116551410272064	3.80411018801924	-0.160505953093932	0.982577821814879	0.782932749837602	0	0.148588410104012	0.482821900117262	0.0782972102028707	0.966924072763259	11.6978936970289	3.45254091458361	3.52758845628337	6.19255733513696
"C289716945"	"289716-94-5"	"CP-607366"	"DSSTox_47280"	8.78290612452622	0	0	-0.214398555630782	0.728749603940432	3.51377018043685	11.468200270636	0.364464692482916	2.31153789041232	26.2269938650307	2.41477272727273	0.137503523749935	0.137503523749935	6.21714747587083	6.44832812472748	12.4965387351805	6.20139600956594	60.0881223741817
"C290352282"	"290352-28-2"	"CP-634384"	"DSSTox_47306"	0	10.3228375572432	0	1.92654805319188	1.39969816234131	5.17380759902991	4.98016747465844	3.24483775811209	2.56736854674999	0.768049155145929	0.550964187327824	1.26303440583379	0.485426827170242	2.28074701906371	43.9854939374361	28.432582090956	6.90834939769476	0.533674222010797
"C29091212"	"29091-21-2"	"Prodiamine"	"DSSTox_34210"	0	0	0	23.5181388715572	4.19226971987681	33.4089619965967	12.8377883559136	6.37621243440929	5.14969147558467	95.2380952380952	88.0821917808219	1.9497428784802	0.63846338388556	10.3111310649923	15.4026915977567	28.4687257754812	112.404231939439	79.6899438999609
"C29122687"	"29122-68-7"	"Atenolol"	"DSSTox_22628"	0	0	0	1.32962649582981	0.935399631833554	3.27952421410365	3.03715214013279	3.86640589739732	3.19382568864906	0.278164116828929	0.154918667699458	0.551700046589412	0.537840123336021	1.27259275900663	6.63641857592245	7.12164151029325	9.40075132878821	7.7527322548129
"C291305061"	"291305-06-1"	"UK-373911"	"DSSTox_47295"	12.303694332231	10.6158090849617	25.7994571490968	-0.401996118658163	1.12592633029902	4.87496842637029	3.34763948497854	0.524222704266087	1.48587203637545	19.304347826087	0.903614457831325	0.263034405833794	0.137503523749935	3.34364564066459	6.43727177379033	11.6808301444545	82.7804681004461	60.9022339364082
"C2917739"	"2917-73-9"	"Dibutyl nonanedioate"	"DSSTox_44815"	3.00803058547854	10.9778453375517	33.084422319021	9.69665304115315	1.25149547660335	2.82348161690026	1.2816111683259	3.13465101914762	1.1976224975604	0.551615445232467	0.299625468164794	0.514670346913978	0.075898477164685	2.01392300932994	2.11294726906153	2.17644059303468	16.7565925994819	10.0503146953963
"C2919666"	"2919-66-6"	"Melengestrol acetate"	"DSSTox_48184"	11.4099986971169	99.9065900459689	93.1537370873	0.827948799842764	0.380385775437651	3.11118814455325	8.61997267272619	3.02290076335878	2.62174783188793	1.55038759689922	0.867678958785249	0.192316058584651	0.0641967124762488	0.405845718407373	10.9423643879075	67.1480172529401	29.2888594539019	-2.23701372845305
"C2921882"	"2921-88-2"	"Chlorpyrifos"	"DSSTox_20458"	9.76371004640825	3.21318120664652	24.8424516200993	47.8099232639054	2.27631757112552	101.340123291343	9.00089390084577	29.0277014831672	8.58446702255898	1.82119205298013	2.8996282527881	3.04767600054184	1.64319817606166	1.14338460379207	2.42376390531959	11.1503387826919	7.72797071094756	4.40250217409159
"C29232937"	"29232-93-7"	"Pirimiphos-methyl"	"DSSTox_24266"	2.34124074291283	13.7318525085889	0	20.4137076402459	1.0004964869785	52.4524256231573	5.72784157326549	52.6014282351095	8.76528327880144	0.993377483443709	0.371747211895911	2.99103550109302	1.00378344368696	1.16545628149892	10.9103848974008	26.7463875110737	17.8690789694268	13.6056152368439
"C2934056"	"2934-05-6"	"2,4-Diisopropylphenol"	"DSSTox_42273"	2.80814885022454	31.8325324061684	12.820830750155	1.04308169998059	0.682981516720509	20.7625760974047	2.19955763086754	24.8747913188648	6.34826460990804	0.813008130081301	0.28388928317956	2.96699237282971	2.66181144447396	2.10531501439003	1.06676896647845	13.6844837470008	9.88735919899875	32.523408825396
"C29385431"	"29385-43-1"	"Tolyltriazole"	"DSSTox_26171"	4.76681337610286	2.62712238147739	38.1320113134395	0.736419743139372	1.59732157342812	4.39510647938378	5.0007441583569	2.60307809234277	2.07049048512463	0.29806259314456	0.139664804469274	0.917796764853382	0.233802977459622	0.666811016363727	2.43475777659626	3.68200899795609	7.68923338373536	8.93099462063257
"C29387868"	"29387-86-8"	"Propylene glycol monobutyl ether"	"DSSTox_29755"	0	0	0	0.261220612681073	1.23358237810734	-0.646161798914449	1.15312416197372	0.2031144211239	1.3097325734327	0.150037509377344	0.267737617135207	0.261925067031809	0.237356726748791	0.228472251414933	0.789700084738781	14.9577828857327	7.52485260496787	11.2516748669514
"C29420493"	"29420-49-3"	"PFBS-K"	"DSSTox_37707"	0	0	0	2.94849954134452	0.171268641129537	4.12071967498549	0.734214390602056	0.678813862093605	-0.250865051903113	1.4308426073132	0.263852242744063	0.728478982308984	0.0889848905402986	0.651620208996852	1.04362659826872	0.143737378187622	1.00995489093635	4.906851367341
"C2943751"	"2943-75-1"	"Triethoxyoctylsilane"	"DSSTox_29246"	7.07233514833525	0.536355569224068	12.63189629183	0.582244852778393	0.581579934770688	1.59613413384098	-0.0503307448950245	2.84024654339497	0.906443942295823	0.610340655249441	0.501119716197147	1.35024477096656	0.0902515082975359	6.34486675340688	31.8311732665361	1.2249031916213	4.6134385496515	4.8762600298939
"C29590429"	"29590-42-9"	"Isooctyl acrylate"	"DSSTox_27955"	8.25709612239008	7.85439449728673	21.2874700239808	2.27884903159605	0.26208613017573	1.9176800748363	2.27612268213375	3.0507480199472	3.19205532895903	0.734214390602056	0.140056022408964	0.249495138632251	0.291650184105398	0.574053649222652	4.48515812968437	5.14761954614309	6.76343046006711	1.72299462006827
"C2971360"	"2971-36-0"	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	"DSSTox_22325"	99.1661959074018	99.3944383461398	101.95394277739	196.203796203796	229.539844118381	181.901387658695	243.269230769231	100.161836104164	137.643638377406	102.05047318612	92.6592797783934	1.17023296751114	1.51273989849845	12.4676071180732	57.8799783687092	132.36934552094	105.544974946372	65.2085683763101
"C298000"	"298-00-0"	"Methyl parathion"	"DSSTox_20855"	2.21077607846327	4.93326495726495	12.7071016714108	2.52047271122444	0.718482206339108	10.367722165475	4.35478706372078	7.02030667219229	9.37927496580028	0.747384155455904	0.549073438572409	0.547607158375265	0.218474241949181	2.73418094836679	2.96166380705234	14.1089810971017	25.5754317939828	2.43473350668096
"C298022"	"298-02-2"	"Phorate"	"DSSTox_32459"	0	8.64897349272348	0	4.17626190328002	0.706589973429881	24.7886371322286	3.77826184932021	19.2185370286234	2.43641451971356	8.47176079734219	0.923076923076923	2.52538595935967	0.83447501030414	1.0893315663288	48.7885597465014	37.4980081996403	4.1415928621631	2.49519806237767
"C298044"	"298-04-4"	"Disulfoton"	"DSSTox_22018"	4.81610522750145	8.181739982002	0	2.13120213120213	0.277369428341608	27.782698553292	7.67728365384616	18.5523024863911	5.39941852415894	20.820189274448	4.98614958448753	2.17470505739369	0.791430960130569	1.76130956036002	27.5927092995018	4.61685125293618	3.66845437307978	6.4383476528858
"C298077"	"298-07-7"	"Bis(2-ethylhexyl) phosphate"	"DSSTox_27134"	8.54546235614764	4.56605121648555	19.501282188268	0.842446758411386	-0.0252431509391939	1.1548211435546	-0.49723132557351	0.665965650192779	1.46329365079365	0.322061191626409	0.416088765603329	0.938962827133582	0.425596895310299	0.734765489827465	1.3393956829275	9.22767838688111	93.7631019641893	7.37717685111902
"C298198524"	"298198-52-4"	"SSR180711"	"DSSTox_47359"	0	0	0	1.5965013962801	0.506095260398371	-1.64412070759626	1.49718351615772	-0.465572163685372	0.592180365296803	2.42130750605327	0.284090909090909	0.778584683367941	0.271415025913323	1.2678362382902	5.91099215329505	4.18195967836029	4.16719015446105	8.79438146368118
"C29836268"	"29836-26-8"	"Octyl beta-D-glucopyranoside"	"DSSTox_42234"	0	0	0	3.07060298008634	0.370006209894432	4.33925049309665	-0.329797664675997	0.742009132420092	0.432492865338785	1.84049079754601	0.433212996389892	0.191239421826043	0.154806525280507	1.05758670672637	2.72290320627048	14.1141971719101	4.39893555725694	10.7501826860383
"C298464"	"298-46-4"	"Carbamazepine"	"DSSTox_22731"	2.99269537553954	4.03264411835105	23.0652350081037	1.99865861837693	0.455546686032903	6.92871419053964	1.53488372093023	2.23721590909091	1.74749390409103	0	0.135135135135135	0.921388051075973	2.1157025329039	3.72032233702565	3.82750462125238	38.5119554335169	9.5831094100441	10.7946310966822
"C2996921"	"2996-92-1"	"Trimethoxyphenylsilane"	"DSSTox_40700"	0	0	0	0.543099846817992	0.274270337404264	2.0850943927867	0.454585970229075	0.780060882800609	0.30892347524199	0.613496932515337	0.288808664259928	0.217871054230566	0.637152132024682	3.36746237671137	5.15466685053678	-1.0394393052323	5.56828895800091	3.96015274989356
"C300765"	"300-76-5"	"Naled"	"DSSTox_24209"	0	0	4.70790167351192	2.51410586112924	0.110643384924521	0.364372469635628	-0.202871410736579	2.11464968152866	1.28710661409121	-0.0620732464307883	0.529801324503311	0.0584054007990252	0.161547475471372	2.81280873275826	17.087609268121	5.14383622448134	1.88897846563159	6.94818442123777
"C3025307"	"3025-30-7"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"DSSTox_41357"	5.13539530406394	29.4009757439004	17.7970908120371	0.346960325841001	5.85558921503766	1.87678498572011	15.9910097394489	3.0142534465301	50.1484260316425	15.3526970954357	57.7540106951872	1.12750975659015	0.26746750335959	1.57721985174281	8.29552725699715	4.17056741779892	41.6378081075575	13.4085057243435
"C3026639"	"3026-63-9"	"Sodium tridecyl sulfate"	"DSSTox_42418"	50.3850652890768	98.4302458330162	94.0509274219608	1.25022814382186	0.988673726154077	1.17704162116248	4.53653751839137	-1.54476670870114	0.266877532865475	6.90789473684211	2.55063765941485	0.138607919470443	0.134292839464107	3.77273869786578	10.1032025524841	13.9258965042371	38.9607477790276	9.4543754509687
"C302794"	"302-79-4"	"trans-Retinoic acid"	"DSSTox_21239"	8.77134054529871	6.61858118682452	9.595718571039	0.157253308871708	1.18217135218681	8.29947765525247	5.53108174253549	19.7927831368346	13.3391003460208	0.158982511923688	0.395778364116095	3.33549786640769	1.26953466983073	9.00395632194029	2.1616556376745	11.2842293679261	2.85776456398772	30.5952819320639
"C3033770"	"3033-77-0"	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	"DSSTox_44643"	0	0	0	1.30083902974326	0.39193421365909	0.922640170333573	0.272944387581031	0.23557126030624	1.48555708390646	0.974930362116992	0	0.524361209666074	0.0720684395040694	2.33500643850839	7.70091070039502	3.43273848342917	9.73828362751066	10.1115880172914
"C30399849"	"30399-84-9"	"Isooctadecanoic acid"	"DSSTox_27963"	6.24610792311057	-47.3139507832291	6.17694340753658	0.457496788724463	0.802584814216478	2.26444560124935	0.999000999000999	1.82767624020888	0.660545610674418	0.495867768595041	0.739644970414201	1.49489663372	0.477085960888407	2.25552428396764	11.2633739340328	13.4013662673804	25.7076635139865	14.7636833508019
"C30516871"	"30516-87-1"	"3'-Azido-3'-deoxythymidine"	"DSSTox_20127"	0	0	0	2.11107278371852	1.3033890741081	2.58775301050473	10.2757258831273	5.73987206823027	4.54594614081257	0.33003300330033	0	0.401062870476942	0.0796078579207776	0.365765901923026	3.5229538015244	3.03381640101989	8.20190526723909	10.2477864232815
"C30560191"	"30560-19-1"	"Acephate"	"DSSTox_23846"	5.69404340675473	9.11930132286084	0	2.80508474576271	1.72775218639429	6.31600745495961	3.0829420970266	4.7662444181172	2.17998476549748	0.445103857566766	0.41958041958042	0.391623204775973	0.227517129388969	1.56442053317269	2.87786284349538	10.7626030489985	8.7145014861421	7.98192729355175
"C3056175"	"3056-17-5"	"Stavudine"	"DSSTox_23819"	0	0	0	3.51617440225035	1.47415518662428	15.05284204513	3.09813020335744	6.79222251286075	5.51729859785945	2.58620689655172	0.564971751412429	0.495850803319418	0.0814445164003896	1.48275548506698	2.7712932510036	3.76188306496667	5.9517672075921	11.8993303462707
"C307244"	"307-24-4"	"PFHxA"	"DSSTox_31862"	0	0	0	1.71800590752909	0.532888984211308	3.8273381294964	-0.417647505505355	1.33936993020185	0.10815894662591	0.733137829912023	0.42583392476934	0.034226845140083	0.124056719209937	2.26357157812715	4.62375226893449	3.12099929067475	11.3501532870748	9.72831707380645
"C309002"	"309-00-2"	"Aldrin"	"DSSTox_20040"	6.23545923186959	8.82148094483118	21.1148412365366	3.84283050616217	1.03115595680651	18.1141439205955	2.43826681161671	11.2638915049915	5.61597143320889	3.85714285714286	0.243605359317905	3.45261638755883	2.03164227021677	2.76439637681189	3.6999303756679	4.25330159752526	14.5017704493419	22.1967689759029
"C311455"	"311-45-5"	"Paraoxon"	"DSSTox_24046"	29.0289078369043	15.6186646282695	20.9357375692037	11.7322422570056	0.797168267943722	1.73891129032258	5.84530604211769	1.34601218777205	0.0564453538418135	0	0.145666423889294	0.235080344262788	0.045728750255603	5.78380418665919	2.4735734578757	22.6866572237616	67.7190059113987	38.4516484812934
"C31218834"	"31218-83-4"	"Propetamphos"	"DSSTox_32470"	0	0	0	6.5360889080915	0.0917579748475199	6.45868876431879	1.31871895872581	-0.275335287325696	-0.320630267497253	2.6865671641791	0.275482093663912	2.08703289631638	0.728789580775785	3.28330439038964	12.0856604351416	1.19991200315896	13.9342819375876	6.78073307405067
"C313994795"	"313994-79-5"	"MK-578"	"DSSTox_47327"	0	0	0	1.39374027321459	0.118489261910639	9.07470666864696	3.20342128620996	3.07311903920876	3.33680142687277	0.62111801242236	0.321543408360129	0.693954050038097	0.842257560415991	2.26709854830381	2.63988953983737	5.98800648562593	2.88042953401278	2.58128137848737
"C314409"	"314-40-9"	"Bromacil"	"DSSTox_22020"	0	0	0	-0.42784561903913	0.51721851377039	-1.75836642087351	-1.2522885389967	2.78263634918111	-0.0914146415784262	0.156128024980484	0	0.338200373458048	0.274299231929601	0.473791472103789	2.71780363793018	20.9947290769793	6.99386968999729	5.72781945901859
"C3147759"	"3147-75-9"	"Octrizole"	"DSSTox_27522"	0	8.48310830557016	0	-0.0333635193746718	0.717649359832699	5.11927097292951	0.336931857250912	7.21180255826729	0.912691579128637	8.77483443708609	2.15613382899628	1.85624802790312	0.582640655114535	4.28773063956591	4.04514673606118	1.40650096640354	20.9891442555175	69.3447115782062
"C31519229"	"31519-22-9"	"1,4-Dihydroxy-2-naphthoic acid"	"DSSTox_37730"	20.0251047805459	7.08406646778415	12.1690487347704	1.34797803295057	0.890848351248779	0.468658465143527	5.88318684434364	0.838041431261768	2.81937981464826	56.6978193146417	0.805369127516779	0.670845598941741	0.602766249270926	1.99917301912972	0.948074692966237	6.84194966577316	2.59802066969043	93.3194572089369
"C3164850"	"3164-85-0"	"Potassium 2-ethylhexanoate"	"DSSTox_27525"	5.19956795150199	5.64512169538883	12.6886402883099	1.11972908018353	0.997269554806022	2.85637655893791	0.809587556575508	4.61538461538462	34.8140876181127	0.153846153846154	0.291545189504373	0.43740830237672	1.96019417513928	0.894704864224893	3.39652873502491	40.2252999492058	5.54911725353049	0.593688701475019
"C3194556"	"3194-55-6"	"1,2,5,6,9,10-Hexabromocyclododecane"	"DSSTox_27527"	0	0	0	3.42985307829944	4.34197093768327	1.65726977618315	4.97109826589595	-0.139814129451436	1.26147737612706	0.855920114122682	3.32805071315372	1.17031356729421	0.282759393389783	4.33656366228103	2.37719076174796	4.86384600475992	8.80318069810454	17.6210402066984
"C319857"	"319-85-7"	"beta-Hexachlorocyclohexane"	"DSSTox_20685"	14.0861068836984	5.95828499305174	10.2444294774653	1.15319093172585	0.458108804322097	7.48694138131167	3.1396405845745	15.3804930332262	9.61937716262976	1.90779014308426	0.527704485488127	2.98574936867524	2.07758966035912	11.9997476752959	73.8782449336701	49.7304027689434	2.98351926279936	2.48021932153665
"C32388559"	"32388-55-9"	"1-Cedr-8-en-9-ylethanone"	"DSSTox_29353"	0	0	0	47.2016895459345	2.70784730201841	88.5352917176663	19.0876550403729	55.167847963237	31.1042244332083	23.6514522821577	7.9449961802903	3.21320235522908	3.67628853080153	0.882676495113201	8.88155797155706	4.04251201624439	4.52141115746956	4.85074638494573
"C3268493"	"3268-49-3"	"3-(Methylthio)propanal"	"DSSTox_27528"	0	0	0	13.7798868406644	0.384068360713319	14.0638272054362	25.4413928396273	1.37662883564523	2.20421073440743	0.822368421052632	11.1027756939235	0.55634113885831	0.0864915256269715	0.886775461163074	7.69889872023687	0	5.24733703482636	6.39462686731951
"C32809168"	"32809-16-8"	"Procymidone"	"DSSTox_33923"	12.4723845947688	12.2862887718815	10.0478650660994	2.66935664667361	0.240630916497221	10.8995531377501	2.59277463750307	2.28789598650734	3.28537525956689	1.11111111111111	0.54611784444886	0.266028339741407	-0.0236346457524625	3.06080706351982	6.00766763198875	38.8694563979232	3.36261454242263	5.55297727255498
"C328847"	"328-84-7"	"1,2-Dichloro-4-(trifluoromethyl)benzene"	"DSSTox_27142"	8.22302608976821	13.7351121585792	15.0469431094222	1.50204322055738	102.295826069796	8.34206979182268	13.7339344593231	1.38048908756245	3.25533731853117	0.151285930408472	0.284090909090909	0.93476513839518	0.375083390889538	0.552954344630727	0.492941479381653	8.33498691968505	5.8472973464941	9.28501572088576
"C3296900"	"3296-90-0"	"2,2-Bis(bromomethyl)-1,3-propanediol"	"DSSTox_20164"	0	0	0	3.97459468494067	0.490324267782427	8.24906865353911	2.46837122887729	4.28351309707242	2.11258589048696	0.453172205438067	0.132275132275132	0.862327763009078	0.0930163002618021	0.379618358402165	13.8838888811646	12.6820719332663	5.99930237590493	2.2689762906675
"C330198919"	"330198-91-9"	"Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%)"	"DSSTox_47394"	0	0	0	2.99805047684283	0.575049113357532	10.0520291363163	3.18707382152387	2.79343298211223	1.97631278538813	1.29136400322841	1.5625	0.515450745115738	0.121770824919251	2.80489084494681	1.43624047742633	0.0457851338252585	12.013451957734	13.7461770300368
"C330541"	"330-54-1"	"Diuron"	"DSSTox_20446"	0	0	0	6.25704898739764	0.492085469445796	9.95914198161389	3.34614153057957	5.11396601740572	2.00068399452804	0.448430493273543	0.549073438572409	0.56236384857118	0	2.33335465709935	2.70944197032955	4.88279649590555	2.72115674264486	8.27953392296496
"C330552"	"330-55-2"	"Linuron"	"DSSTox_24163"	11.2401600180402	6.10514237779229	8.73493975903614	-0.307430180013334	0.287226442328721	3.94280762564991	7.96173864115909	-1.462260163976	0.313243008642487	0.309119010819165	0.306983883346124	0.520945178120042	0.330827806409106	3.28152348220905	11.3236424584535	7.34208671316655	1.56228058607964	21.0802334684479
"C33089611"	"33089-61-1"	"Amitraz"	"DSSTox_23871"	0	0	0	1.10485933503836	0.171415725285225	1.14457831325301	0.543217766416361	0.341296928327643	-0.328976615986485	1.37795275590551	13.1462333825702	0.258469427322228	0.240972866188426	0.974096405411413	3.86459614537382	14.7422356945804	5.29878888667587	18.5624250595251
"C331623064"	"331623-06-4"	"MK-547"	"DSSTox_47331"	0	0	0	0.878115144394287	0.735914321310562	3.32825755927779	1.55448234228796	1.89297713676965	-0.504704875962362	-0.478468899521531	-0.126823081800888	0.312979528143281	0.107956841239291	2.60979275396495	2.05183673758911	12.5427305148735	18.0480586095003	5.83627155264496
"C3319311"	"3319-31-1"	"Tris(2-ethylhexyl) trimellitate"	"DSSTox_26265"	12.0759235179271	30.8742638013094	61.3654781199352	27.2802883282506	8.2281331459064	112.376862844153	64.7012215252559	92.6066522053507	114.184800259825	70.6086956521739	52.8614457831325	2.27005496696254	2.30472437279217	8.18280081921759	67.7051777977587	81.7140202123396	21.3093910121572	5.93280862181309
"C33228443"	"33228-44-3"	"4-Pentylaniline"	"DSSTox_40707"	15.5904258660766	9.36281111893671	21.9785497038579	37.3103667837209	3.29069767441861	87.8745644599303	12.3640370557597	61.3224249881578	3.85486930475823	1.67774397990174	2.63361735089078	1.35403898751152	1.49235297635098	1.01568959021148	12.3518881251696	10.6703374724693	31.9087774812389	6.20592384973846
"C33228454"	"33228-45-4"	"4-Hexylaniline"	"DSSTox_40708"	7.84251477329054	3.53562731256186	43.7309879645549	26.5563267485318	6.09120711860438	87.9485935984481	78.126731941622	49.7744926083688	13.3127438231469	9.44741532976827	0.763844684914067	1.39485783099738	1.10967465808658	0.911317054752553	16.3695784225092	25.757852477625	72.456357326514	2.31885071622633
"C333415"	"333-41-5"	"Diazinon"	"DSSTox_20407"	5.72172408280489	13.8772592084191	0	32.033744816739	12.3474807047106	65.2640042883945	13.5804166953173	47.3436396452955	15.7482348889272	12.5827814569536	11.2267657992565	2.65713072532017	1.31475439505934	1.71349561937563	15.2530110098549	3.02423926725119	1.2589930708752	5.63110034082134
"C3337711"	"3337-71-1"	"Asulam"	"DSSTox_23890"	0	0	0	2.91842475386779	-0.0706464146944543	12.0822622107969	0.518629725672172	2.24082308832505	2.44752343814818	3.10344827586207	0.423728813559322	0.149935219271287	0.304658270669873	0.954314552541811	5.98561068135664	8.15816763098685	5.84262140388735	13.4528600423287
"C334485"	"334-48-5"	"Decanoic acid"	"DSSTox_21554"	20.8978561543754	13.6519043149302	11.8988619676946	1.26108595591812	0.23392756312011	7.79116465863453	3.53098927294398	3.52180492502407	0.195930670685758	-0.158478605388273	0.141342756183746	2.74119604796947	1.93031867968389	1.29578733261886	1.8394386687746	13.5313595186749	36.4408236074297	5.72073286911267
"C335671"	"335-67-1"	"PFOA"	"DSSTox_31865"	5.27520356070376	11.9583383877185	0	2.05557899813129	0.499892762278719	6.3021582733813	2.24010934771053	2.94284097340124	0.540794733129555	1.31964809384164	0.14194464158978	3.56471280471356	2.02924018336725	2.93131842501807	10.3545140056458	13.3786512463329	80.457661484986	8.98745774823392
"C335762"	"335-76-2"	"PFDA"	"DSSTox_31860"	22.0848387244878	20.0010207525238	16.3593916755603	1.99285372232659	0.0310715236883377	1.61681487469685	1.98325253415601	1.54047853162897	1.14237949289496	0.460829493087558	0.275482093663912	2.1683388211174	0.572790203740346	2.39256629593747	5.99315745530339	4.74062450300258	60.8264447167503	5.31103066834291
"C33629479"	"33629-47-9"	"Butralin"	"DSSTox_32337"	0	0	0	4.66104303922172	0.47212915016753	22.3634489866025	3.77111431190258	18.8834951456311	2.18253259510627	33.5548172757475	0.745156482861401	3.45583880848037	0.883868845102266	0.380024684943095	43.9701419091035	15.0314569017897	7.95042388912768	5.66027773859072
"C33703081"	"33703-08-1"	"Hexanedioic acid, diisononyl ester"	"DSSTox_27982"	0	0	0	2.34208051970254	0.0980607547998866	-0.152405834966256	2.44392884764114	11.1473720371006	8.64862869587686	0.283687943262411	0.413223140495868	0.48869140403205	0.137119879274625	1.82597519572318	8.95032500124541	29.5105506106118	18.6222785782505	10.8803471004738
"C3380345"	"3380-34-5"	"Triclosan"	"DSSTox_32498"	12.9005231469189	11.3455245936247	24.4652406417112	2.17582694000755	0.0974495110722804	7.34209682590574	0.482948213091613	7.23426946320654	-0.0461808441858307	3.65448504983389	5.88652482269504	0.261773859627874	-0.00126054620591713	6.36815120568312	0.405007427394217	2.10916826722646	52.4583455616076	107.854862265672
"C33820530"	"33820-53-0"	"Isopropalin"	"DSSTox_24157"	5.79994748293194	34.2802224406849	22.4188211541697	29.3952595436757	6.47704977443421	56.2217659137577	33.8717572197748	22.2222222222222	37.6413098971629	20.3966005665722	39.6899224806202	1.14659086654565	0.226788939486291	0.352772189280522	5.21282765926833	5.28517351289055	24.7969341645161	6.33935534386622
"C3383968"	"3383-96-8"	"Temephos"	"DSSTox_32484"	21.820488727812	59.5702125624656	7.94029571401834	3.19043366081175	3.95785492367959	7.98996775349337	1.71335327712809	3.54020352587072	1.04182486407679	0.301431801055011	0.121802679658952	0.735628636633954	0.335363892777019	18.8814798794854	27.0383295024725	31.023877838377	47.5215955606544	75.6374718684624
"C3391864"	"3391-86-4"	"1-Octen-3-ol"	"DSSTox_35214"	0	0	0	2.80054644808743	6.25997045790251	8.009977827051	29.87624509508	4.28211586901763	32.3167469234885	11.743450767841	19.6105702364395	0.428728731002275	0.632158880386279	3.47260746357684	22.1766820621479	17.2053660577372	2.6730664068579	12.6486308884027
"C33956499"	"33956-49-9"	"Codlelure"	"DSSTox_35288"	0	0	0	1.32527772364062	0.817201721371699	6.30934796370543	3.50739226171752	2.52121212121212	0.791264987388135	0.318471337579618	0.572883513685551	0.260062839302502	0.399333612117536	1.62748362338712	5.5239037628781	5.69989374955823	8.01382388455875	14.4961732190695
"C34014181"	"34014-18-1"	"Tebuthiuron"	"DSSTox_24316"	0	0	0	0.881473319691484	0.5396933560477	8.99598393574298	1.86166187377024	0.462220545231581	1.36305386198594	0.419287211740042	0.138792505204719	0.268580710703535	0.473141856963131	1.11850335147215	15.4497981755222	7.0871530609726	3.61451410940528	9.51519214851294
"C34256821"	"34256-82-1"	"Acetochlor"	"DSSTox_23848"	0	0	0	1.0549159081319	0.615379539042779	8.14388489208633	1.07069633229554	2.39577438219204	-0.00470256289678031	0	1.13555713271824	0.367126859774099	0.282234831374674	1.74185401739189	1.5178024481617	4.99720268971004	63.2948422401128	13.9221965635376
"C34451199"	"34451-19-9"	"Butyl (2S)-2-hydroxypropanoate"	"DSSTox_42335"	0	0	0	2.39593959147115	0.649863064568537	6.07131384516544	3.70842969933806	3.82022471910112	4.64471268408922	0.14265335235378	0.300751879699248	0.605895214770153	0.0459269213977967	2.45457783299022	13.1533921247548	5.46065624878878	11.0039656148395	6.26470443959944
"C344930956"	"344930-95-6"	"SSR69071"	"DSSTox_47368"	0	7.95022332147668	0	1.20931742553364	0.694234832478117	3.60642885143081	2.54461335095836	12.1978122989245	0.511488187058538	5.98052851182197	0.278551532033426	2.97058008928765	0.435205349638178	2.60311489335555	2.4395992629716	11.3246174394608	4.22268103760064	10.250031405855
"C3452979"	"3452-97-9"	"3,5,5-Trimethyl-1-hexanol"	"DSSTox_29661"	0	0	0	0.571934614958858	2.58937808943557	16.3207278930907	42.4065240806278	9.61802378774017	33.2500662351917	0.145137880986938	0.272108843537415	0.386435329831154	0.142907637509628	0.5285223792443	21.4901268279671	7.52740655675489	14.4815349253127	4.3049955647066
"C34590948"	"34590-94-8"	"Propanol, 1(or 2)-(2-methoxymethylethoxy)-"	"DSSTox_27983"	0	0	0	3.20920131907022	0.32748461863993	6.01317957166392	1.07326966956816	5.05050505050505	2.95792761344847	0.905562742561449	0.134228187919463	0.388891726439441	0.117145073144288	1.97936121208294	13.9245851887337	15.0375795144888	7.5054116623725	4.90268180296148
"C349495427"	"349495-42-7"	"PharmaGSID_47263"	"DSSTox_47263"	0	0	0	4.09048288795124	2.69162839985871	17.395029991431	12.3652245120786	13.0525765105938	17.199037584004	4.31034482758621	1.27118644067797	0.765534746362977	0.37851162325373	1.17185023092576	12.3555100491644	25.2454828672144	7.85540572411453	14.4082357762113
"C35256850"	"35256-85-0"	"Butam"	"DSSTox_41691"	8.04333935650537	11.8681172210588	17.120796879941	2.00233996322915	0.835185669456067	44.9175093134646	26.8158895868354	51.3405238828968	33.2081430583415	11.178247734139	1.98412698412698	2.4056048415275	1.94837930776558	3.82753266814711	42.012535931618	70.3311527187483	6.89270186976879	8.38175471567832
"C353280076"	"353280-07-6"	"CP-612372"	"DSSTox_47281"	0	16.5045231325924	1.14489128343275	0.45137315326747	0.200238994929432	4.30925221799746	4.51259417091546	6.90101194552233	3.2008830022075	2.27963525835866	1.93587416817907	1.0703893278914	0.263034405833794	1.06169086708551	2.56869551641193	21.5579382902742	3.71265204383075	11.63524234821
"C35367385"	"35367-38-5"	"Diflubenzuron"	"DSSTox_24049"	0	0	0	1.14464555382898	0.287284819146289	0.406810305861081	1.8849528761781	1.36273158781197	4.5396095546117	0	0.158730158730159	0.849122207067917	0.578662512365416	1.83768088140559	27.7640495133328	3.46306202729844	2.59494270128344	5.2747354305008
"C35400432"	"35400-43-2"	"Sulprofos"	"DSSTox_32675"	0	0	0	16.5121883399759	3.65071827139974	48.2020202020202	27.7947869259412	19.2476732161324	11.3146583666815	7.71558245083207	5.68181818181818	2.05834638664384	1.29801547494303	0.949939840704333	12.3908235790234	9.17157671450838	4.25527100488769	7.83635281749729
"C3547339"	"3547-33-9"	"2-Hydroxyethyl octyl sulfide"	"DSSTox_32516"	0	0	0	5.32534531536029	0.64995568483967	8.49443468072642	4.45137510632265	6.26177024482109	3.41375669651586	0.623052959501558	1.0738255033557	0.935188924208234	0.231861686620692	0.269956172814441	2.8108204325619	0.14036721182927	14.6609611850808	3.40588392112876
"C35554440"	"35554-44-0"	"Imazalil"	"DSSTox_24151"	8.79802671534987	11.7892930679478	13.7581198452668	1.33421807237481	0.572810224230736	0.315457413249209	1.7703132092601	3.32684067004285	3.60469044057328	1.22887864823349	0.420168067226891	1.60580942299155	0.77769918125673	18.4298408985527	3.56777024338542	2.71571580554726	2.94865917374355	70.7337528714716
"C35575963"	"35575-96-3"	"Azamethiphos"	"DSSTox_34818"	1.86770712230491	18.0658672354716	0	1.29546868812581	0.781062244652728	1.93765796124685	1.84712883530412	1.71013661985287	0.913468028619	-0.48780487804878	5.79494799405646	0.533680136264136	0.307459834018097	0.95394865609447	1.28214822597616	0.217036839978405	4.24364968568911	26.0499310493036
"C35691657"	"35691-65-7"	"1,2-Dibromo-2,4-dicyanobutane"	"DSSTox_24944"	0	0	0	3.8422131147541	6.69128508124077	-1.35809312638581	81.6118321762753	-0.881612090680102	59.5238095238095	4.516711833785	17.2461752433936	0.245101131544423	0.156918583859166	1.9012414552305	7.20672591340857	10.7132730063985	10.5128881448377	19.565957698652
"C361343193"	"361343-19-3"	"Elzasonan"	"DSSTox_47277"	12.1127347684918	11.3668308470052	21.6794404345561	1.49115861704935	0.00319826014648032	3.76106194690266	2.64137871308565	3.44249201277955	1.4466625626594	33.3333333333333	0.97020097020097	0.925999418556223	0.263034405833794	3.66653555400707	5.09139429538644	13.8469729439233	39.0659178064313	106.754443117269
"C361377299"	"361377-29-9"	"Fluoxastrobin"	"DSSTox_34625"	0	0	12.7691409386176	3.77415641848912	-0.277062887118423	3.13549832026876	2.22195166494186	1.2860868783164	-0.104013485886447	1.23152709359606	0.72202166064982	0.605167511950525	0.335476852651661	10.2850785520318	1.98294386361587	48.5711458453159	71.5816005400765	106.63910248154
"C3622842"	"3622-84-2"	"N-Butylbenzenesulfonamide"	"DSSTox_27540"	6.49383262282439	4.13475774591864	16.2545196280992	1.57084371662513	1.60709522539344	1.21520972167777	3.54778475640808	7.44116672190918	2.09072723752984	0.291970802919708	0.943396226415094	0.716902764031704	0.117257148137978	0.716538884522982	1.38323165553916	6.93482777629811	23.1323851135231	21.2211431179408
"C3653483"	"3653-48-3"	"MCPA-sodium"	"DSSTox_34700"	3.10831749909518	11.7686485778772	3.03701479090022	0.152753194481488	-0.0146782527007985	2.25442834138486	0	1.53421823823479	0.1906941266209	0.166389351081531	0.143988480921526	0.0421048738959408	0.0927239662270439	1.85380739950098	16.8665695786541	8.11095941858121	8.87454672940864	4.63216691165696
"C36631308"	"36631-30-8"	"Triisodecyl trimellitate"	"DSSTox_47180"	4.88428417653391	20.0268305348797	32.2768262099141	0.769830442408887	0.139449101078106	2.89090525427306	1.63573450770683	0.836363636363636	1.07460004837428	0.318471337579618	0.700190961171229	0.385188466619608	0.076020333936924	0.437224156186573	8.15013980007203	4.73509489154231	12.834249335968	6.89460920945635
"C36653824"	"36653-82-4"	"1-Hexadecanol"	"DSSTox_27991"	0	0	0	0.17743843424024	-0.171974875641824	-0.998824911868391	4.3146796431468	1.04754230459307	0.210319685922603	1.42450142450142	0.434153400868307	0.382958466894515	0.280292475491468	0.54454043711512	18.5933347215352	4.12284219253493	8.2404401599108	8.82424077860813
"C36734197"	"36734-19-7"	"Iprodione"	"DSSTox_24154"	2.70818278378593	3.66544151054542	0	3.59548737927116	1.97706006640507	3.21442571540572	0.396563119629875	5.48763673131722	2.14337906957863	0.278164116828929	0.139275766016713	0.101159972419916	0.620454804135453	1.2164494677218	23.1067466259563	18.0382476293355	4.25927507508865	3.41485380354388
"C3681718"	"3681-71-8"	"(3Z)-3-Hexenyl acetate"	"DSSTox_41484"	0	0	0	1.12536359734872	0.144741074300418	0.310848616723652	0.798648441099678	2.89300474514006	0.918979179848744	1.05421686746988	0.289435600578871	0.315030198711175	0.0584707280033983	1.55411116454911	21.599772703887	14.0085928154466	6.26806075970276	2.90955871804248
"C368832422"	"368832-42-2"	"CP-728663"	"DSSTox_47283"	0	11.6483260488541	0	1.5162920744166	0.295254356388651	3.11398354876615	1.44363341443633	1.86799501867995	1.45821648906338	7.40740740740741	0	1.20163386116965	0.584962500721156	6.34834995281363	2.39609358509424	6.97905997518613	9.73035726464754	58.0957307022381
"C3691358"	"3691-35-8"	"Chlorophacinone"	"DSSTox_32348"	15.5410546625542	56.1665490664351	32.9158390893191	0.599757323626279	0.064517863383424	2.31195050472159	0.942991855979425	3.79131769068474	-0.488274975907485	17.5204157386785	0.32258064516129	1.23704721799918	0.177791061010394	3.88537576508376	0.954262109442209	8.30287945050247	98.4022692465494	82.0986221615295
"C3734336"	"3734-33-6"	"Denatonium benzoate"	"DSSTox_34376"	0	0	0	2.63890823005152	0.463154626371352	7.18512256973796	1.10526784918442	2.91095890410959	1.63288122627909	2.71691498685364	0.866425992779783	0.163148366926595	0.187063245930408	1.08880719588481	1.59890824236142	10.1522704154866	2.614432191463	11.3016909328576
"C3734676"	"3734-67-6"	"C.I. Acid Red 1"	"DSSTox_44663"	0	0	0	0.965107646622123	0.278363770268752	12.1832498210451	1.31710132759616	4.9710477439091	0.890468394361697	0.165289256198347	-0.137268359643102	0.747295807323731	0.420671092217833	2.73115501542085	15.5169974130017	29.3692791346021	4.62829029201441	29.5649371622336
"C3739386"	"3739-38-6"	"3-Phenoxybenzoic acid"	"DSSTox_38321"	0	0	0	0.915543236319348	0.5333856902109	7.07587382779199	0.866029068453948	2.42776288352696	2.62238464318702	1.02639296187683	0	0.818543031448072	0.363272975886261	1.25288029542308	0.954989970420273	6.99292760653282	5.92601644784842	4.00157310091869
"C375859"	"375-85-9"	"Perfluoroheptanoic acid"	"DSSTox_37303"	0	0	0	4.69588281391284	0.522990117631531	3.65467625899281	2.52866580605968	0.339558573853988	0.569010110510228	0.586510263929619	0.14194464158978	0.832547060575987	0.660188835514051	0.847464235436558	5.96038461338933	9.9031898996667	27.5132305477222	11.5074925863843
"C375951"	"375-95-1"	"PFNA"	"DSSTox_31863"	2.14795845452053	11.1807512257893	45.1421764287261	1.42140757392357	1.27375956553937	9.81731768899451	3.52618413620592	2.47262451430589	1.26337693222354	0.46583850931677	0.321543408360129	2.46081799325702	1.73343589718927	2.66715807323912	0.451335303075199	9.52201429928511	79.2331263038752	9.77116095698905
"C37764253"	"37764-25-3"	"Dichlormid"	"DSSTox_27997"	0	0	0	0.798466943468541	0.288139633710264	1.22194297599445	1.64557714014139	0.970992366412215	-0.18679119412942	0	0.144613159797542	0.452109085883108	0.124490351897471	0.500211263462729	5.08624328938165	9.00387994001855	3.68557906059978	11.2346089206926
"C3811049"	"3811-04-9"	"Potassium chlorate"	"DSSTox_47448"	0	0	0	1.46308268118408	1.29734221825513	3.95668471470221	0.844442084019331	0.939187602723642	0.712127001771634	0.505050505050505	0.136239782016349	0.226825996513764	0.0718342532637902	1.71496194651284	3.26439247651493	12.1272825672057	3.62496450205925	-2.08444979004798
"C3811732"	"3811-73-2"	"Sodium (2-pyridylthio)-N-oxide"	"DSSTox_42390"	0	0	0	0.962748766797074	42.4652115380934	0.628140703517588	28.0275358246699	1.9476055907737	20.5687963148408	0.493827160493827	0.130548302872063	0.027855574310202	0.0384290973824317	3.96201522774355	4.43862195441911	25.9491097848434	3.69327068676048	107.015079706585
"C3825261"	"3825-26-1"	"PFOA, ammonium salt"	"DSSTox_37708"	7.78510041928235	5.5956523606994	14.4685305240411	1.57405949944908	0.15809199318569	11.9277108433735	2.40653851975178	7.57475709838694	2.72999106830803	0.838574423480084	0.138792505204719	2.66944840395137	1.70820660118478	1.30305583717141	6.48116719372964	3.81063170153083	73.2987312794484	4.58487073421349
"C3844459"	"3844-45-9"	"FD&C Blue No. 1"	"DSSTox_20189"	0	0	0	4.84810771058437	0.291396298966595	10.3060937938781	1.67710023958575	0.391707270469093	1.4264500742474	0.48780487804878	0.445765230312036	0.340138119492415	0.127658668673864	0.979365482591048	1.33094196898902	2.1995235530537	7.72691179186753	71.0762411616414
"C3855321"	"3855-32-1"	"2,6,10-Trimethyl-2,6,10-triazaundecane"	"DSSTox_44564"	0	0	0	1.14216733215712	0.537201436326944	5.99902056807052	1.62760416666667	3.9842320146417	0.622435335884551	2.36768802228412	0.274725274725275	1.21682983373119	0.236221272856814	2.99949328529987	29.3194401885189	8.13914238986987	4.01939513239596	8.99077953644188
"C3871996"	"3871-99-6"	"PFHS-K"	"DSSTox_37709"	0	9.16276853776854	0	1.3669747338089	0.663244156755206	3.48286430760657	1.47729058620148	2.25418114244162	0.506029794277606	0.16366612111293	0.150602409638554	0.431519998917428	1.15046114131607	3.32354996399141	3.50773891433744	1.41421931690602	4.83339764978223	5.98672677940792
"C3913028"	"3913-02-8"	"2-Butyloctan-1-ol"	"DSSTox_44818"	0	0	0	-0.946254254404009	0.235771393948973	5.49399276799253	0.817232745996505	5.76748410535876	1.92581542008544	0.895255147717099	0.568181818181818	0.913091934776833	0.419965582775691	3.87471886079197	6.78385167742313	17.2841074465468	9.41392221840503	14.9618825013194
"C39236469"	"39236-46-9"	"Imidazolidinyl urea"	"DSSTox_40151"	0	0	0	0.370711317891175	12.7164276098965	2.76260841631866	21.6364941382885	1.34831460674157	5.34005234579476	0.14265335235378	1.05263157894737	1.63385655639102	0.734154859038924	0.877364225586206	4.58850751878558	4.12606930569508	3.38636326635755	6.92834946549219
"C3926623"	"3926-62-3"	"Sodium chloroacetate"	"DSSTox_27550"	0	0	0	-0.229773012115304	0.437280066238874	5.46632854325162	9.96523754345307	3.21537290715373	14.9489540733767	0.788781770376862	2.74368231046931	0.28745604908963	0.0242475462466731	0.618626755646646	7.67191926287867	5.68065498847676	11.2717382740292	4.96789069519838
"C39300453"	"39300-45-3"	"Dinocap"	"DSSTox_40352"	7.30384670796715	45.1745573732395	64.5657145896495	0.463146751356359	0.174933857652995	-0.0131527028804405	-0.441908597639426	3.73392680514342	-0.697839058760072	0.342172797262618	10.4372355430183	0.828263911820581	0.608762034840541	7.27042156381101	0.924393855527692	18.7021082241648	122.251310400528	106.214859075656
"C39515418"	"39515-41-8"	"Fenpropathrin"	"DSSTox_24002"	0	0	0	3.62869612121807	-0.00561314223702429	18.1307456588356	1.45693243675953	2.61085785329465	1.76128590971272	1.19581464872945	0.960878517501716	1.61585165370536	0.578014376473101	3.050687520159	25.4127251617257	15.8345397419195	32.51757186193	16.4406942933763
"C39905572"	"39905-57-2"	"4-Hexyloxyaniline"	"DSSTox_22288"	0	0	0	18.4344222745721	1.14187588523583	81.2401546613204	6.00105097214924	23.4195034553366	1.73287559261076	9.23623445825933	1.60233066278223	0.566525252464479	0.474928580155625	1.08290713247853	55.1518732974131	29.5598174939039	31.586402266289	7.03193790579814
"C402910274"	"402910-27-4"	"UK-416244"	"DSSTox_47290"	3.78775838869288	9.20281435579654	31.1171458001686	7.97723799989462	0.595865370854637	7.51300728407908	1.82330269789505	2.24209752511639	2.06192922374429	3.22841000807102	1.98863636363636	1	0.137503523749935	4.47171560604439	2.91108101191089	10.3040460243736	54.8336683352135	68.0580895352699
"C40487421"	"40487-42-1"	"Pendimethalin"	"DSSTox_24245"	17.1357136928245	7.7989482706916	0	38.8954610547288	9.99005175968512	75.2463768115942	39.9301336573512	60.3309807739109	43.1618785480819	28.1867145421903	5.80595874713522	4.76968855701332	2.1782811749191	1.68230327140032	19.646290298294	11.9714103362085	7.18358564650209	5.7602850306862
"C40649363"	"40649-36-3"	"4-Propylcyclohexanone"	"DSSTox_48198"	0	0	0	2.85922418503005	4.2575379732487	3.57642357642358	8.18773552586502	2.12942937947097	1.70140598501012	-0.156494522691706	0.163934426229508	1.95983386329067	1.73629945307581	1.21067661193394	2.52247962559165	10.9625720901866	7.97848062372676	8.14310526006147
"C4065456"	"4065-45-6"	"Sulisobenzone"	"DSSTox_42436"	0	0	0	2.19474356634422	-0.0155469951113336	4.62322533673098	0.0245218244237399	1.775956284153	0.978550953840072	0.328947368421053	0.300075018754689	0.752534881511261	0.61748274240747	0.507671162319673	9.80351778615566	15.5481333323871	5.59623931914619	3.60959060605849
"C4098719"	"4098-71-9"	"Isophorone diisocyanate"	"DSSTox_23826"	0	0	0	5.31669373450722	0.523526543385186	3.41824515567168	5.84686774941995	-1.21951219512195	8.64124617031487	0.99290780141844	0.275482093663912	0.568579538951515	0	2.68386232611441	14.0320054543788	19.945065275196	9.2189775452223	14.4138785970123
"C4107986"	"4107-98-6"	"N,N-Diisopropylaniline"	"DSSTox_42189"	0	0	0	1.34399455597142	0.447836993490204	2.48507566291823	1.30118434330023	0.798309462315095	2.05995761975892	0.168350168350168	0.272479564032698	0.46170915368152	-0.011150124516722	1.74119355591476	1.38275224541893	27.5777308185534	5.3780826897438	6.84184581141046
"C41198087"	"41198-08-7"	"Profenofos"	"DSSTox_32464"	5.6634003257456	15.1761544751815	0	10.266561097915	0.388588607797358	43.6946902654867	7.26595652550446	31.6533546325879	4.76211415003078	8.95410082768999	0.97020097020097	1.3319416570788	0.522973012915137	3.99883449999829	6.19682250885592	23.9960829276571	33.2010140278768	11.8333810010018
"C4130421"	"4130-42-1"	"2,6-Di-tert-butyl-4-ethylphenol"	"DSSTox_29262"	4.09548532848341	4.80461504454546	27.306300874284	4.94624412732488	-0.0943457189014539	15.7990629880271	1.11888111888112	11.7058311575283	3.77171543695092	13.3884297520661	0.591715976331361	1.67623758186376	0.0626670110061856	1.24277614679793	4.662679340053	7.31982428937111	8.15863192171343	23.3743679396905
"C41372081"	"41372-08-1"	"Methyldopa sesquihydrate"	"DSSTox_20863"	0	0	0	0.299660910022868	0.497433000073694	0.211640211640212	-0.857582643113686	-0.216281685266891	1.60290237467019	0.61633281972265	0.27972027972028	0.5537304142345	0.0661934770243729	1.80825778642445	2.63982331989315	2.46717840937031	8.01873464573783	9.54556250535256
"C41372207"	"41372-20-7"	"Apomorphine hydrochloride hydrate"	"DSSTox_48185"	3.66736820752086	107.295075728746	90.738305466842	3.16207337105311	0.2320532974025	-0.594588035432595	1.25061304561059	0.304749894913828	0.0691904714836418	1.31578947368421	0.150037509377344	0.623475230528475	0.545942933944444	5.23457165489803	4.6781255941668	18.2145070062235	4.825437374551	47.4378912217966
"C41481667"	"41481-66-7"	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	"DSSTox_47598"	56.8004419774009	64.7254088507803	72.1666345968828	9.70346219531129	5.14896838554494	19.2485016136468	7.18787259410663	13.3673632158239	3.88636257090619	0.894187779433681	0.668449197860963	2.24773202992241	1.72617320646409	4.90102903962129	8.18895575313444	8.37521192685192	90.0191989379936	65.8635903291264
"C4151502"	"4151-50-2"	"Sulfluramid"	"DSSTox_32646"	22.9360932221618	9.52836540165126	0	0.970736534564818	0.655194902924798	5.2025893071206	6.03403816400206	2.31588032220944	1.88260326564596	3.58744394618834	0.557880055788006	1.96011420981636	1.03098458536662	5.58306265418022	4.82404686874771	4.95252700615146	30.4298603609404	14.4142407294621
"C4180238"	"4180-23-8"	"(E)-Anethole"	"DSSTox_20087"	0	0	0	4.98943025240048	0.65856898842285	8.88352708927397	10.7285248278362	6.14977682261531	5.00987609983839	0.645161290322581	0.687757909215956	0.466012639623894	0.108099997379155	2.06437072746613	5.42558812577826	3.57140186691263	3.44119586357271	11.8239536648492
"C420042"	"420-04-2"	"Cyanamide"	"DSSTox_34490"	0	0	0	-0.10801468999784	0.147532430146993	6.21496466000487	5.1378660729577	9.19264588329336	21.931110296812	0.895522388059702	0.137741046831956	0.386515551721262	0.275893304500852	1.36603899723614	3.68510565247448	17.5391530503314	4.44667203149526	2.74220951406591
"C42509808"	"42509-80-8"	"Isazofos"	"DSSTox_34676"	19.5029186490176	0.0547455976527988	0	2.98565587070812	1.56914756187884	15.5099577549789	5.89239965841161	10.2396856581532	6.05650329452117	11.9538334707337	4.83297796730633	2.57801389141038	0.990477932088118	2.71554392913182	6.46285916344975	15.6145213655383	4.80438356257183	4.0538531475101
"C427510"	"427-51-0"	"Cyproterone acetate"	"DSSTox_20366"	12.6639594896159	22.1267994741588	1.86273243801653	1.57619451512581	0.353652993977957	-0.319596299411272	0.505902192242834	1.36577037985489	2.88828337874659	1.27659574468085	1.19205298013245	0.798606883202844	0.128540967606232	1.28253428423914	21.3801730986342	104.819297362256	83.7570834404826	8.82267711098575
"C42874033"	"42874-03-3"	"Oxyfluorfen"	"DSSTox_24241"	0	0	0	0.104835539247805	0.407981397162232	3.30818340104469	1.93692748758828	2.23294033583423	0.743944636678201	1.11287758346582	0.659630606860158	1.35122895172502	0.554125096798558	2.40790447441894	1.92075686307627	27.1067521789023	12.1848049196119	28.4834046080459
"C4291638"	"4291-63-8"	"Cladribine"	"DSSTox_22828"	3.48138263096767	44.3163661922064	14.6340032272261	1.71594696163937	1.77866189090018	8.72075357034336	4.90469734428583	2.35720761559383	2.89408404119372	7.82122905027933	0.14265335235378	1.17852239706982	1.27879968262067	3.88773526038325	75.0345612524486	6.60437565339675	2.22309446131492	12.5417039293926
"C43121433"	"43121-43-3"	"Triadimefon"	"DSSTox_23897"	4.66781963554073	8.23954661530598	0	1.68464212496657	0.41406952242017	24.9007373794668	7.75540095203222	19.2399427571951	7.59503313780757	5.62060889929742	0.684931506849315	3.85690604640987	1.42704144977077	8.62032945814715	17.112013299073	35.1992277998069	6.329371528633	25.3781627546659
"C43222486"	"43222-48-6"	"Difenzoquat metilsulfate"	"DSSTox_24048"	0	0	0	1.06651439518134	0.725650557620818	7.65930057927483	4.08163265306122	4.90028912447179	3.37932238910234	1.83767228177642	0.687757909215956	0.239567427547544	0.291246072669644	6.90948204473292	9.08183114140224	55.5005302318486	38.1840791612315	91.0473582747549
"C4342363"	"4342-36-3"	"Tributyltin benzoate"	"DSSTox_34981"	8.30219891517184	43.5223004758081	70.5167130527677	-0.307377049180328	0.357459379615953	-3.10421286031042	13.1783881678237	-3.65239294710328	-1.02327447833066	38.843721770551	0.695410292072323	1.53591888235936	0.737476685633835	44.8801206117009	2.28342983248443	15.4762041661028	87.312657777273	102.241888919793
"C4344552"	"4344-55-2"	"4-Butyloxyaniline"	"DSSTox_48199"	0	0	0	3.62136770810575	1.91131163578489	12.8603996245139	3.27022375215146	4.68338291542712	27.8193643391827	0.615384615384615	0.43731778425656	1.17419604084262	0.261954139934663	0.665758488080913	33.0654480822694	4.8405538442621	6.91377858632487	4.66086156242531
"C4376185"	"4376-18-5"	"Monomethyl phthalate"	"DSSTox_40001"	3.71270068663813	6.20947739436925	0	0.437825094487894	0.269420020972816	-0.133868808567607	0.759833134684147	0.343926262209384	-0.0376789751318756	0.475435816164818	0	0.0600977383528841	0.44208088277733	1.54986016683921	1.39059426896079	14.5644806595765	5.18419697389048	5.64326107988723
"C4376209"	"4376-20-9"	"Mono(2-ethylhexyl) phthalate"	"DSSTox_25680"	4.80564710789948	9.05501529793916	0	0.243486729973217	0.273029113958785	6.2328498627989	2.97422339722406	2.82195054692527	1.43703823983113	0	0.278551532033426	0.390506742982389	0.865455287138986	0.094492272887079	0.713494804137312	5.89726209071489	38.4371322469432	3.66126862040721
"C439687691"	"439687-69-1"	"Nelivaptan"	"DSSTox_47358"	9.46606584091379	15.7386757951701	11.6361428715977	4.4748648337743	0.324309080654258	0.338624338624339	0.401773344416736	2.91483008673397	0.928222773465631	11.0938712179984	0.590841949778434	0.751553130389252	0.710997909839672	0.420858883678461	3.13702781579297	11.5903417089174	75.1226659099127	33.7747066012928
"C4418262"	"4418-26-2"	"Sodium dehydroacetate"	"DSSTox_26029"	0	0	0	2.99019028483631	0.888154497573066	12.7457002457003	1.77002753376164	5.93461571638058	1.45842730416479	1.27186009538951	0.154798761609907	0.139618912751934	0.0413738835783419	1.66671629669229	40.9265652314949	5.49462231504192	2.03473290037938	9.44096566399987
"C4437858"	"4437-85-8"	"Butylene carbonate"	"DSSTox_40342"	0	0	0	2.12733039374952	0.903260288615714	5.44270833333333	1.35341041498611	7.5235774080746	1.78931882719217	2.38532110091743	0.146627565982405	0.477420174412293	0.0733796000327534	0.550607568917367	2.72994099648349	12.7951490043461	4.28917349316044	5.85322050555471
"C444610917"	"444610-91-7"	"PharmaGSID_47315"	"DSSTox_47315"	-51.3744721716166	4.06577534964863	7.24005242171597	1.4560050369904	-0.13901192504259	4.21686746987952	-1.10488875435145	1.12253560984813	-0.353384334588949	0.419287211740042	1.66551006245663	0.765534746362977	0.925999418556223	18.5209294931609	3.79824000362454	2.90837963782654	99.3277131424484	30.5378484059394
"C4449518"	"4449-51-8"	"Cyclopamine"	"DSSTox_43709"	0	0	0	1.09283331416082	1.92470389170897	6.8994708994709	23.0257689110557	1.91952225223945	3.06473553652877	5.35298681148177	0.295420974889217	0.275115787868969	0.0432431858782787	1.24841757696354	3.38212154999178	21.4305081648436	4.01729593973331	13.8365230162399
"C445295045"	"445295-04-5"	"CP-671305"	"DSSTox_47282"	0	0	0	1.64989939637827	0.483155576095503	5.39640239840106	2.26356589147287	5.6640625	1.30723381197508	0	0.27027027027027	1.26303440583379	0.37851162325373	1.4977095493628	4.73664350511804	8.33878632170117	3.2242097673427	3.59228327082225
"C4455269"	"4455-26-9"	"N-Methyldioctylamine"	"DSSTox_42209"	1.40745436693546	8.24729072446454	30.8190096922491	0.33835139508655	0.409759383302773	6.58835546475996	1.82516810758886	3.02527973477	1.00889192886457	2.98953662182362	0.549073438572409	3.54609054597669	2.10944082768927	3.02530835593043	16.6249984861666	13.5765097099128	7.46833987107245	7.96706577514495
"C446720"	"446-72-0"	"Genistein"	"DSSTox_22308"	97.0390217092608	99.2646806872141	67.4426199811767	199.049958290852	197.526010556267	174.424242424242	206.313611915598	144.691175261123	180.234097113078	97.984496124031	80.6941431670282	4.26780658501937	3.16750622499934	94.0814022917689	196.986440531981	133.241973461065	65.0818209672051	5.81274152128172
"C4468422"	"4468-42-2"	"3-Phenylhexane"	"DSSTox_41492"	0	0	0	5.81263468299875	0.444759076009172	20.1999167013744	2.37399755696001	4.67245832355013	2.0738527807691	0.168350168350168	0.272479564032698	2.96727432239369	2.38102753452568	1.83750221531266	6.64345047279674	11.1471787871434	12.2321307849817	6.29975709614612
"C446866"	"446-86-6"	"Azathioprine"	"DSSTox_20119"	0	4.9511651074151	0	2.13888286725919	1.29244182476822	2.12998361551065	3.31392745185848	-1.07773851590106	1.31678666161425	0.794912559618442	0.29585798816568	1.7834634119583	0.817307702483807	0.925218134029178	23.4712727582963	1.92889313689956	20.2251039530937	3.6056556904719
"C451401"	"451-40-1"	"1,2-Diphenylethanone"	"DSSTox_44430"	9.3926822983767	2.60825900757416	14.3435707053662	2.21303360316813	1.15328920148945	40.1786807000367	13.9964111766214	41.0342652932521	12.109260882267	1.21261115602264	0.141043723554302	2.35015473502419	1.2239714121363	0.597784569873992	44.5384807192053	19.3750498874075	3.25431850639868	1.34996646343787
"C4548532"	"4548-53-2"	"FD&C Red 4"	"DSSTox_21234"	0	0	0	3.69897619997341	2.4802488507171	8.05300713557594	4.07420453211225	17.970297029703	4.02552936874647	2.63157894736842	1.83206106870229	0.345176358491243	0.484908896796387	1.4939035830361	2.26122146508144	23.1145977630264	13.1029810775075	36.2198924457168
"C4553622"	"4553-62-2"	"2-Methylpentanedinitrile"	"DSSTox_25612"	0	0	0	0.913060738388249	0.880452225708048	4.24832303038275	0.307657884432509	-1.28585558852621	0.562990931463439	0.342172797262618	0.141043723554302	0.172468386724963	0	1.36521648011171	1.94266442661377	10.8903823049276	9.17432372435701	7.02662905084714
"C4574043"	"4574-04-3"	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	"DSSTox_41289"	14.1595017263557	70.5296566077003	49.9334493703287	-0.342414768497842	0.40207654723127	0.0640000000000001	-0.289519397799654	1.20648485610155	-0.17800984987836	60.3125	0.167224080267559	0.166661674893171	0.112676773238982	2.99051961893144	3.59090156525055	73.7877033849092	81.5983482553494	101.18584909847
"C460004"	"460-00-4"	"1-Bromo-4-fluorobenzene"	"DSSTox_27153"	0	0	0	1.44142750315876	0.705505077498664	3.85416666666667	1.80155955902124	5.59499841051181	0.578192890622327	1.28440366972477	0.146627565982405	2.90077618634111	1.73997853304246	0.717076040749325	18.7274426135587	13.9312726192743	2.43097120867691	4.21337320280207
"C4602840"	"4602-84-0"	"Farnesol"	"DSSTox_32389"	10.0489249388438	6.54532370605631	16.0376762121499	6.54854674213217	0.680701561770922	17.9295624332978	7.33491860252424	12.5877081748246	29.9263456090652	7	6.19674670797831	2.60233360191594	1.52162695529767	1.59632229568023	31.8981066415136	10.0312551900163	38.1176736369704	5.72048029937556
"C461023632"	"461023-63-2"	"Aplaviroc hydrochloride"	"DSSTox_47316"	0	0	0	2.21455674370473	0.454151681411283	0.12810658467845	0.299861040005849	17.9701492537313	0.248747251162624	0.495049504950495	0.264200792602378	0.485426827170242	0.584962500721156	1.74663608367612	4.8358528703313	6.34455589886113	23.6527534081937	37.116698407511
"C461585"	"461-58-5"	"Cyanoguanidine"	"DSSTox_20354"	0	0	0	0.444848368889314	0.841690113748407	0.238095238095238	0.134509041996712	4.34249693573805	1.62596230422086	0.148588410104012	0.537634408602151	0.689069015738608	0.0832026092175042	0.755152783507041	14.2298915590605	34.6354629640464	3.81842281139201	11.4869310494098
"C463401"	"463-40-1"	"Linolenic acid"	"DSSTox_25506"	0.855517788589956	32.4461633339478	19.9500232450023	0.646074039141711	1.94819154081797	2.42370965716439	8.65067136253577	4.85721910862023	25.7953073269037	24.6875	0.141843971631206	0.165184081076033	0.3612071175064	4.38109954469101	7.33922636942467	2.41398600848665	10.0034960452501	7.83354738738199
"C4638486"	"4638-48-6"	"5-Chlorosalicylanilide"	"DSSTox_37749"	0.0251850952785508	6.76454326216104	6.35878719820326	1.74158424308069	4.56104518864678	4.0227372103192	50.4012648827348	2.08900999091735	24.236726041916	1.07361963190184	1.04011887072808	0.32159790295137	0.465095205833584	9.21417211428316	6.52830159978276	9.00599201764005	17.7947746021497	93.859740693501
"C464493"	"464-49-3"	"D-Camphor"	"DSSTox_24721"	0	0	0	3.24692595699409	4.28974568771186	0.330674965959932	8.17075204268801	0.680350553505536	0.905457215107268	0.15625	0.495970241785493	0.490799717426691	0.0338964189651013	0.786472562024696	2.56667239806724	0	4.12234383842277	4.18078657128716
"C4707475"	"4707-47-5"	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	"DSSTox_41653"	0	0	0	10.8581268535349	1.86614722362504	42.6719576719577	11.5677776117172	45.4036070740676	17.9718608972657	0.445765230312036	0.537634408602151	2.54284535025277	0.6293519894153	8.97758626036988	13.1172089040589	10.9651366508701	1.96037117878118	4.26268332064598
"C470826"	"470-82-6"	"1,8-Cineol"	"DSSTox_20616"	0	0	0	1.91158616421073	1.06697725477596	5.47099051400838	1.85468256394579	2.75267621298485	1.66138480745222	0.34965034965035	1.17907148120855	0.230802353492264	0.205696598810073	0.274922142251257	2.00805886066614	8.88719418152421	12.0469281220382	8.58780099274609
"C4712554"	"4712-55-4"	"Diphenyl phosphite"	"DSSTox_41889"	38.5590465243187	82.4647708924537	43.322163714696	15.6654700172849	16.9130398876868	44.3425076452599	51.8375014676529	24.2574257425743	25.685603164578	50.7017543859649	61.9847328244275	1.121964564253	1.94714511539402	6.84363357336216	65.4534674391785	138.674184834724	3.974036307308	3.48549556345568
"C473289622"	"473289-62-2"	"Ilepatril"	"DSSTox_47356"	0	0	0	2.07487262792587	0.458629609727447	5.7905544147844	2.30053842388644	4.9362915441504	7.5486835387645	0.56657223796034	0.775193798449612	0.293114168375585	0.180681658227118	0.73255839241915	3.38087059821559	12.6684313728298	3.04921659035696	11.7179069778228
"C474862"	"474-86-2"	"Equilin"	"DSSTox_47433"	105.335648283014	99.6616949936409	2.9780935464772	200.666842151443	182.763844470628	169.28126025599	141.089449541284	129.64338781575	129.932571093521	100.334448160535	104.35403283369	3.95377731331997	4.24989975577519	115.39675525535	136.73695493756	158.791775257091	7.22379603399435	9.1327567075293
"C478149530"	"478149-53-0"	"PHA-00543613"	"DSSTox_47284"	0	0	0	1.92930689391907	0.573102721595436	3.41900495166235	2.85183332142091	3.50092853703831	1.4709507765634	11.8461538461538	0.141643059490085	0.485426827170242	0	1.65114867065869	4.00805496964759	6.04247338730856	4.70371583664059	5.19557101800941
"C478263988"	"478263-98-8"	"AVE3295"	"DSSTox_47372"	10.917171019859	11.3429677906867	9.23026465890942	0.405043071481546	-0.0957789798864142	2.90594498669033	0.564805985476417	2.61887072808321	0.685777569536142	1.42857142857143	0.13840830449827	0.652253920956905	0.438647622650333	5.01423014331347	3.70096352832405	4.17924661998878	34.9697891916679	17.1751969842626
"C480400"	"480-40-0"	"Chrysin"	"DSSTox_22396"	5.46660385647518	7.07226735643072	15.3634861627427	5.423892373627	9.7178526215515	4.8546469998568	67.1045717288492	6.65472229331969	93.5671080595063	0	0.436999271667881	1.83334314782589	0.891512033428123	56.1985131664584	141.823909711731	65.9597664688752	89.298959106294	5.4476869386209
"C480637"	"480-63-7"	"2,4,6-Trimethylbenzoic acid"	"DSSTox_48200"	0	0	0	1.23737139679303	1.89956072658198	3.07070707070707	9.20976417045925	-0.413650465356774	-0.453534904401956	93.3434190620272	75.8522727272727	0.409387948056227	0.109178255425082	1.11004721137732	3.9930759078207	6.97669886197391	2.9238287862682	12.7630307263459
"C484173"	"484-17-3"	"9-Phenanthrol"	"DSSTox_47592"	19.0403345453427	33.8037012378957	8.25179101869649	2.17789918796542	0.451722190852626	4.47121820615797	1.72824791418355	13.3993671756775	2.63752825923135	46.5927099841521	0.141342756183746	0.507274267131082	0.0598051100767634	20.277313078463	4.90784715120555	7.7307754984579	139.214912034979	106.557131243554
"C486566"	"486-56-6"	"Cotinine"	"DSSTox_47576"	0	0	0	3.27365728900256	0.528297645141348	1.56626506024097	3.35516855727752	0.293674101119134	0.702409531430604	1.77165354330709	0	0.362458928223919	0.0591899159297448	2.34023514310032	4.63662527129462	12.4170164970451	7.01346276126009	8.14632440664671
"C486668"	"486-66-8"	"Daidzein"	"DSSTox_22310"	63.4588115276715	89.1661557567755	66.6754494730316	186.818718696334	95.7090939126125	125.867378361733	114.692105563807	153.45056547179	150.551742699502	95.1367093048615	90.9090909090909	4.4208866284959	2.83987671777687	97.6942650138718	239.780575998847	146.27988756577	18.4638056499741	5.86006188405249
"C487069"	"487-06-9"	"5,7-Dimethoxy-2H-chromen-2-one"	"DSSTox_41421"	0	0	0	0.996236440115121	1.7981354807054	21.0084033613445	9.32352108689499	6.23021822422122	5.21030756442228	0.46875	0.594353640416048	0.394433388708747	0.166352387203722	2.42229988142873	5.36171729179004	3.68860654407247	6.75324675324677	7.4758262651963
"C489010"	"489-01-0"	"2,6-Di-tert-butyl-4-methoxyphenol"	"DSSTox_41379"	8.10225146375325	3.76387533544767	15.1911385025402	32.4897027442807	33.1153298045603	1.504	1.69079328314997	18.7256503707427	1.96404201032457	1.09375	0	1.31500195304212	0.275136807919694	1.98930127760954	6.57050172649771	2.38935306480295	7.01841913141845	17.1503742399744
"C4904614"	"4904-61-4"	"1,5,9-Cyclododecatriene"	"DSSTox_27581"	0	14.9147066425433	0	1.11713073789425	0.44503345931707	13.8959931798807	1.75465019956322	16.4730414060173	6.00377494879724	0.733137829912023	0.553250345781466	1.47244542325305	0.184486554555231	1.62514846390786	3.16291302223634	10.2767317637481	9.17854247596845	1.50162402305969
"C491805"	"491-80-5"	"Biochanin A"	"DSSTox_22394"	54.0498409443993	64.6076218993204	19.0403979133811	73.9132510563128	96.4717532427839	102.039364477116	122.543950361944	141.519612325135	129.856836329101	83.7354085603113	75.2461322081575	4.05332992046706	3.28253357589503	49.4824473728429	285.301817070246	105.30489913183	86.6396734225958	7.64358865173235
"C493527"	"493-52-7"	"Methyl red"	"DSSTox_42154"	15.6240028312341	7.23897440036757	29.3722283813747	0.76528260134616	0.213735532524096	1.86877919967499	0.38906053324179	-0.0308832612723904	1.42236153413963	0.236406619385343	6.59176029962547	0.472947280600075	0.116634906846145	0.766744341176972	4.01407566752997	1.25451762240071	43.2146216530185	7.2535148644363
"C4940118"	"4940-11-8"	"2-Ethyl-3-hydroxy-4H-pyran-4-one"	"DSSTox_41516"	0	0	0	1.73617434589935	0.512355474948991	6.81318681318682	0.702295306611852	0.0499085010813491	1.00661961814104	0.625978090766823	0.163934426229508	0.416129870831666	1.03373435514089	0.786480173089002	2.07782069785186	1.90257457162281	4.15890813050713	6.51536353667664
"C49562289"	"49562-28-9"	"Fenofibrate"	"DSSTox_29874"	5.65298912732801	15.2269809822734	21.5127643191376	0.475660358263334	0.196100033050567	2.84451808892571	0.729628366859869	2.29282895632059	1.88120740019474	0.147710487444609	0.41407867494824	3.10640942342101	1.7878447880413	7.30604219354624	1.28762793819667	2.85563963784379	56.4788250452909	68.6559100608944
"C496468"	"496-46-8"	"Glycoluril"	"DSSTox_31380"	0	0	0	6.11555287373661	50.0702206437086	9.8735210118319	109.589611254474	54.2487732689462	83.6763986299136	0.276625172890733	102.215431627196	0.0126852596311146	0.0880014069311612	0.6563161007319	3.8887466357157	8.54765598177362	5.03984831619667	7.99492794849682
"C496720"	"496-72-0"	"3,4-Diaminotoluene"	"DSSTox_24930"	8.94286879866616	4.35353730957914	10.0744489190335	4.06154699196008	0.241562376318699	8.86587522101541	0.627269725982172	5.49530007230658	1.86748944462488	0	0.301204819277108	0.562863979996088	0.0784968637835906	1.80644472259103	41.7391694337937	3.61141905086957	44.2580250505382	6.0834894080095
"C499752"	"499-75-2"	"Isopropyl-o-cresol"	"DSSTox_42074"	0	0	0	4.40263231068681	1.99750682654636	33.8181818181818	13.2643773272652	42.7223371251293	12.3047280272714	0.453857791225416	0.284090909090909	0.42782516535238	0.0497381956631276	1.42186899581584	12.7485414490899	8.59849864401263	1.82423057988226	6.09516482941684
"C499832"	"499-83-2"	"2,6-Pyridinedicarboxylic acid"	"DSSTox_22043"	0	0	0	0.830009267093759	0.755597414272871	0.492778249787594	-0.494420115835569	1.33894990221152	-0.0878458932044914	0.278164116828929	0.309837335398916	0.736553175032512	0.101735997968036	2.84465329046683	12.6590372753541	9.73694408596845	13.6368402165678	9.99643448333128
"C500389"	"500-38-9"	"Nordihydroguaiaretic acid"	"DSSTox_22437"	68.1815577644733	84.4629057500345	85.3436316098394	178.262866687546	58.1110513959211	169.34503713707	141.94729136164	114.283887468031	26.2824883410151	80.7194244604317	81.5463165572575	1.89690016405547	1.74475389754047	26.6792482419832	36.0384137410372	25.6875747541071	80.3275322721351	21.7993806629813
"C501027492"	"501027-49-2"	"PD-0333941"	"DSSTox_47307"	18.2014271687786	5.12330403618056	21.1589704547451	2.10580030617452	0.493195434273573	5.69514237855946	1.98089350941275	2.13090964637593	1.41531477401696	0	1.0443864229765	0.137503523749935	0.678071905112638	0.802563887612148	1.49346735641076	19.0568835258456	45.528484217166	14.8675176822344
"C50146"	"50-14-6"	"Ergocalciferol"	"DSSTox_20233"	5.19484123580256	17.2258584571423	101.008235203571	0.685385805881052	0.313412731225244	4.73707083876575	0.647529699688982	1.90893443905492	3.77699552849396	0.165016501650165	0.306278713629403	0.35068410220519	0.288701179960833	4.70357103664349	3.36678558499845	24.4401737503162	128.616027568161	10.7020091203915
"C50215"	"50-21-5"	"Lactic acid"	"DSSTox_23192"	0	0	0	1.74291285435728	0.749018504374858	0.485651214128037	0.738181247055126	4.7040971168437	2.9093799682035	0.94876660341556	0	0.233557329937606	0.0250485750240022	0.783460845972448	7.60473473405949	32.2465135051709	1.37525014094942	12.9511167451685
"C50226"	"50-22-6"	"Corticosterone"	"DSSTox_22474"	7.92774872469441	2.147397109441	4.64798359535202	-0.283824823319046	0.393538842109139	3.17914720506253	3.80977404098791	1.6191164078488	2.18793789928221	0.592592592592593	0.317460317460317	0.949227911630392	1.98374616538045	0.781450824844159	12.4452297872693	48.1151059114178	1.44387803698365	21.1731097629003
"C50271"	"50-27-1"	"Estriol"	"DSSTox_22366"	108.366804026916	110.366237949628	98.6408075669661	165.556858147714	180.625960598016	116.754329698525	146.77565849228	229.627896091739	178.302241998973	112.717770034843	103.174603174603	3.22455487091904	3.7799777462154	110.888520573611	94.7812444054637	114.476368038387	6.28132498715969	24.575307007129
"C50282"	"50-28-2"	"17beta-Estradiol"	"DSSTox_20573"	210.952443475615	105.326875554198	96.5914664051005	170.177959032348	134.730875909475	111.455026455026	130.668551384744	108.243773794162	109.117647058824	106.576980568012	104.857142857143	4.49398031251954	4.2587067255921	112.553273924835	100.439122716288	167.194692393154	75.5904323060233	39.1473722955941
"C50293"	"50-29-3"	"p,p'-DDT"	"DSSTox_20375"	14.1364379871067	9.91169851722114	10.992206235012	61.7384140061792	1.5040848845456	171.452607964105	24.8090982940699	54.0096618357488	21.4511041009464	93.929450369155	92.0245398773006	5.11173435370911	3.63721111496675	22.2910033634894	32.3109547333028	24.4001514980517	27.9814848853718	7.9135050427338
"C50351"	"50-35-1"	"Thalidomide"	"DSSTox_22524"	0	0	0	1.16663880996156	0.232086820083682	11.1229377328366	3.95470229142706	4.20647149460709	3.85386880628228	1.51057401812689	0.264550264550265	0.367439731115598	0.0717446075034045	2.4380190616364	2.7147763838421	10.0227450438702	3.08301581906087	0.665872579357147
"C50419"	"50-41-9"	"Clomiphene citrate"	"DSSTox_20337"	97.2244339072445	104.777760864602	100.35216904114	236.672027527396	337.350947111034	214.429021346087	382.679788039364	199.159854677566	220.355974533048	101.356405592751	101.456953642384	0	0	7.72444778815971	5.47093969216755	23.8479947772043	125.320158245349	98.0113192291402
"C50471448"	"50471-44-8"	"Vinclozolin"	"DSSTox_22361"	5.58654280941773	6.66564482716979	2.04606817414782	0.868582857989481	0.538002828524356	-1.34371468039683	1.45365740202349	0.80297523455329	1.79265577235159	0	0.460475825019186	0.301735902238798	0.0258220782026115	2.63250168931181	3.15625267977271	6.01214599622117	54.4510083520065	13.0991018235062
"C50555"	"50-55-5"	"Reserpine"	"DSSTox_21237"	1.0083298411228	11.3785783625463	30.5985856204748	2.89563881337903	0.149746979241971	2.54914004914005	0.458896027271536	2.89830069869749	0.172906329875207	1.74880763116057	2.47678018575851	0.579293750634461	0.0717446075034045	2.34869099465423	35.0331961991179	12.0575639251445	85.1205377064352	53.1031349605909
"C50594666"	"50594-66-6"	"Acifluorfen"	"DSSTox_20022"	0	0	0	0.185882465087461	0.49197346051424	-3.29670329670329	-0.350684177955029	-0.243270815349603	1.13655932495264	0.662251655629139	0.371747211895911	0.989432836566568	0.466459037665196	1.60708686157793	0.962031539210445	6.03246881117831	48.2932765553157	12.2667628474245
"C50657"	"50-65-7"	"Niclosamide"	"DSSTox_40362"	0	0	0	1.27144170709281	0.216868185734232	0.110938540048816	1.16354234001293	-1.18604449831183	-0.541990277700173	0.0814995925020375	1.83098591549296	0.199617393643758	0.295359022601568	8.34165702505065	32.2749501904233	17.1104934743218	4.8776848858428	104.859094651357
"C50704"	"50-70-4"	"D-Glucitol"	"DSSTox_23588"	0	11.7565670150718	0	2.87110568112401	0.811449579831933	4.1414386049891	1.90133093165215	-0.941962929200848	1.28222804356818	3.44218887908208	-0.0608642726719416	1.65892618704438	1.03118534962779	0.609275330026262	2.79191096760973	7.02890095063706	4.35908553910985	6.73416211687752
"C50782"	"50-78-2"	"Aspirin"	"DSSTox_20108"	0	0	0	3.71591731681815	0.190761418014909	4.85996705107084	2.10428462773599	1.42496392496393	0.687121072937718	0.258732212160414	0.134228187919463	0.814926362123237	0.116297602305826	1.44001008702159	4.8525376750985	17.6521057319463	8.26502237281255	5.79339072270103
"C50817"	"50-81-7"	"L-Ascorbic acid"	"DSSTox_20106"	0	0	0	0.515919391158111	5.02947085659737	4.06646261477919	3.04003066382388	2.51837172818099	1.00174364935553	0.306748466257669	0.297176820208024	0.0613419509251626	0.259615116850033	10.0748064681998	68.1251858413788	1.08838185322682	5.1104192588722	18.9212184238772
"C50892234"	"50892-23-4"	"Pirinixic acid"	"DSSTox_20290"	6.13873470917006	24.120213963964	25.1724991491073	2.01941045270963	2.6116509659644	3.48201438848921	0.934011694130152	5.1877004338804	0.173994827180813	1.02639296187683	0.42583392476934	0.274278269241039	0.398674053069956	0.705240372881152	7.47411366589265	14.395822597831	35.9547024903816	11.5601486646498
"C510156"	"510-15-6"	"Chlorobenzilate"	"DSSTox_20299"	6.56925673290118	26.3533279049429	14.3197724674456	2.69182100540665	0.356034968979132	10.2433862433862	4.23940149625935	12.185411630883	3.16075858205969	2.09464701318852	0.295420974889217	0.868412817996047	0.648362666335996	3.40005043294627	2.8170753373463	2.50645546087917	60.7744205371813	33.9179333427471
"C51036"	"51-03-6"	"Piperonyl butoxide"	"DSSTox_21166"	7.70600912965705	5.51298640033425	0	4.69798657718121	0.35790435577216	26.0048093438681	6.78276810265811	15.3300970873786	7.49062332559386	14.2857142857143	1.63934426229508	2.7084773309934	0.968411990734532	0.977913811387141	5.97518425883059	7.53268927917256	1.97961787334619	9.43272373789777
"C51058"	"51-05-8"	"Procaine hydrochloride"	"DSSTox_44435"	0	0	0	0.667612450972211	1.01253274799972	0.951823107336362	1.46778339829173	0.873060737390867	0.778371790255118	0.465116279069767	0.613496932515337	0.49000208684114	0.0630068539260285	0.561083028241483	0.936380614483245	32.9667246888416	5.17293179358696	6.10294140921326
"C5116949"	"5116-94-9"	"Monotridecyl phosphate"	"DSSTox_42169"	32.3686378639911	8.49228788631864	96.206418091105	0.390615281267882	0.150861068560553	0.256986829424992	0.964989233591195	1.91011235955056	0.832063752490332	0.14265335235378	0.150375939849624	0.776325556296456	0.269636890927221	4.45379080587503	11.6366611654529	8.06261673679654	50.1302436923225	7.96798119418677
"C51218"	"51-21-8"	"5-Fluorouracil"	"DSSTox_20634"	0	0	0	1.36731812439622	1.42537461768798	6.55367231638418	4.90916119056822	4.5046746623855	1.10995232419547	0.647948164146868	0.136986301369863	3.10729671414242	0.513764713833604	2.71465918591958	2.40537034180529	11.097425013639	7.09826899715634	20.1160480392973
"C51218452"	"51218-45-2"	"Metolachlor"	"DSSTox_22448"	15.6512168568293	8.72866813057612	0	0.886431614248164	0.0872008526305591	-1.35192226446979	0.083707480404839	1.25542113672677	0.144336899303786	4.86322188449848	0.967937084089534	1.77014079094282	0.929301391001922	1.65900944034407	5.57487026300958	15.4661979546072	16.2977974016521	15.5995618924139
"C51229788"	"51229-78-8"	"Chloroallyl methenamine chloride"	"DSSTox_35748"	0	0	0	5.63687863521373	6.69012475437554	0.623630541041634	25.3859504887184	1.01936799184505	7.67746603424712	0.142450142450142	57.4303405572755	0.193593408378756	0.098836862667359	2.18408942664739	4.31549839307028	9.46097549460418	3.43973662551459	7.96911645633917
"C51235042"	"51235-04-2"	"Hexazinone"	"DSSTox_24145"	0	0	0	1.74440976527427	0.213062825250773	1.26286248830683	4.42042358730995	7.11352302728073	0.931016137613052	1.3215859030837	0.420168067226891	0.230074207059392	0.145012431476822	1.89135537854109	2.06713813605023	11.5050567142881	5.08325604521518	8.23735732839872
"C51241"	"51-24-1"	"Tiratricol"	"DSSTox_45232"	10.0566757320988	90.6204961133444	11.4119553818286	31.0585141354372	36.1043434127315	44.524625653978	33.2967106924296	3.05475467364831	3.66687757992106	18.2686404183163	14.3270622286541	2.1296972602534	2.48190376060654	7.90928572937722	57.0277754982666	82.6564358603812	110.742592943072	5.48987902408201
"C512425"	"512-42-5"	"Sodium methyl sulfate"	"DSSTox_42406"	0	0	0	1.22370528563801	0.649806814190376	5.57710960232784	1.4225013855533	9.65923327486845	5.92490247074122	1.7825311942959	0.127307447485678	0.393669214228057	0.0695866815380588	1.15999872562658	5.44764522173122	11.114578335742	2.43511211909007	7.67987544349448
"C512561"	"512-56-1"	"Trimethyl phosphate"	"DSSTox_21403"	0	0	0	0.605197579209684	0.175602382857651	0.823206585652687	0.645051773892379	0.762346702021877	0.74207911208621	0.291970802919708	0.269541778975741	0.240557260454041	0.269883639867871	1.25318750556987	2.12325766236201	5.52336716075045	1.43035119567675	7.53385501411556
"C51285"	"51-28-5"	"2,4-Dinitrophenol"	"DSSTox_20523"	0	0	0	0.069899989246155	0.0277378831680361	4.17156286721504	0.0486618004866181	1.78008937074207	0.659001682557488	0.56980056980057	0.434153400868307	0.262989152621299	0.138358430877062	5.08535433847967	2.46101463793979	51.2833245478618	6.33464594123822	66.7345622432699
"C51309"	"51-30-9"	"Isoproterenol hydrochloride"	"DSSTox_25486"	0	0	20.6696476099223	0	1.04112186192469	10.2714209686003	3.21153676015217	0	3.72583329776791	0.453172205438067	0.132275132275132	0.332375644292324	0.105664131393345	1.5844627747211	3.7485470312686	11.6377134482927	0.523417761415884	2.19132714932141
"C51338273"	"51338-27-3"	"Diclofop-methyl"	"DSSTox_32605"	0	0	12.5968164908215	3.41784595688256	1.07507188513031	8.87154009936125	5.54418287273968	14.7673733804476	2.32920678587804	3.62116991643454	0.693481276005548	0.670492053836437	0.402765931811142	1.40019500618103	3.84209930707197	9.75611060318546	26.6379281601378	8.65044127930457
"C5137553"	"5137-55-3"	"Methyltrioctylammonium chloride"	"DSSTox_44487"	10.6136481285589	22.2072540535298	67.8314233828042	0.0452067544209544	0.319321716629504	0.637104994903161	-0.892332981096631	3.39108910891089	-0.408868796330153	74.5614035087719	9.16030534351145	0.912321234923637	0.0952619925103718	105.188515751144	5.10869437917765	23.2581423656811	48.8160599744269	108.138929398681
"C5138181"	"5138-18-1"	"Sulfosuccinic acid"	"DSSTox_42426"	0	0	0	2.6746524249173	-0.0274185440753096	2.27540873082758	0.283182607106969	0.835881753312944	0.192941554787362	0.427350427350427	0.464396284829721	0.154089898760231	0.0994459118435717	1.12307288798522	1.57612589823963	9.33604372185563	3.37037659882043	7.24591244099648
"C5146667"	"5146-66-7"	"2,6-Octadienenitrile, 3,7-dimethyl-"	"DSSTox_36286"	13.0194445583952	2.46712230748354	26.4719188263427	-0.0640614990390776	0.343918080264791	0.575204993268877	0.102537810817739	0.399411393735548	1.31463628396144	1.85933710590137	0.141043723554302	0.96676123319948	1.84651393449699	1.06583532265377	2.08837594163729	11.9666672224308	3.26179924280553	6.24110051830901
"C51525"	"51-52-5"	"6-Propyl-2-thiouracil"	"DSSTox_21209"	55.4721340313631	81.5251549661237	18.5692775283719	1.53389830508475	0.53007543894786	-4.53510043487265	0.0469483568075118	0.865761414380755	-0.634770938372809	0.593471810089021	0.27972027972028	1.95384567797301	2.54814662325103	0.565929462989127	17.2158350886773	92.900678052249	4.38551266366709	8.07983923728022
"C5153253"	"5153-25-3"	"2-Ethylhexylparaben"	"DSSTox_22525"	74.3109062094799	96.9334507536483	51.5836923567895	148.74161472953	126.782474196139	182.308467741935	194.915699009381	103.321502712114	105.319974599591	102.236951118476	90.313182811362	1.62925024625166	2.09087081242379	35.6388513980048	101.831400582064	130.772896900222	45.4658256594593	31.8588381900457
"C51580860"	"51580-86-0"	"Sodium dichloro-s-triazinetrione dihydrate"	"DSSTox_29761"	0	0	0	0.644573510989637	0.0974899963623135	2.75180807902629	3.47461273666093	4.16866973422155	8.05479780568962	0.166389351081531	0.212615166548547	0.203025402868301	0.0516688979642778	0.839545037733401	3.33572181320291	12.544191101401	3.93207187369606	10.7531221885678
"C51630581"	"51630-58-1"	"Fenvalerate"	"DSSTox_20621"	0	0	0	6.4679291386683	2.54726890756303	15.7180915475902	9.25647953567497	3.61592221209359	6.1009237556873	0.264783759929391	0.426049908703591	1.01683801123907	0.498882478555781	13.6722939634354	52.3728929777633	14.4623518822234	32.267443907616	9.20695830059608
"C51632167"	"51632-16-7"	"1-(Bromomethyl)-3-phenoxybenzene"	"DSSTox_28022"	9.45118133505636	11.6511802234826	12.3745819397993	30.9694153863695	30.318202047174	101.43560295324	146.871818078968	87.1507117571741	71.4532927415478	0.328947368421053	0.28388928317956	2.38334612665814	2.14043136857194	13.979275759645	65.8822110421596	27.6956391826463	6.15845898342346	10.3211283562011
"C51707552"	"51707-55-2"	"Thidiazuron"	"DSSTox_32651"	3.86203993607009	10.726196266042	0	1.84571016582552	0.33409844427442	2.57023311416617	1.12567871805059	-0.60676585487491	0.796718466514159	-0.158102766798419	0.445103857566766	0.33474058115999	0.37271932107306	3.03376000163895	4.86407884285824	5.98996889783384	41.1627386688995	63.0817565307751
"C51796"	"51-79-6"	"Urethane"	"DSSTox_21427"	6.4645510255606	4.33317997863432	16.9414698547748	1.21668597914253	0.381651267995815	4.08394781622235	-0.270963017209813	1.63778025123231	0.876056981793251	0.936768149882904	0.136986301369863	0.337594471907349	0.596917634058505	1.44254474045642	29.990133510214	6.65945375578513	3.89537201625345	4.87696392970212
"C52017"	"52-01-7"	"Spironolactone"	"DSSTox_34186"	10.9046005191808	8.27104703153769	13.6238727922736	2.7058584627881	1.00361761722164	7.43208610968733	1.10986232087665	10.6357869892314	1.92269176847587	1.31386160017294	1.58478605388273	0.999100346039234	0.0606857118552227	0.270416538022133	5.92138346776087	55.2859139361469	80.4578882085996	32.1556107087831
"C520183"	"520-18-3"	"Kaempferol"	"DSSTox_20768"	7.39311143894536	69.4271059487625	40.020397898737	5.98290598290598	25.3452801407231	58.318890814558	91.6865944577296	90.1702022693636	121.373659400804	31.3216195569137	1.55367231638418	3.76926272891729	3.35302878193714	42.9632600423318	65.5928231826312	84.4403251731704	46.9492673166606	14.5915482898803
"C520365"	"520-36-5"	"Apigenin"	"DSSTox_22391"	23.8395916492988	91.4967241543247	41.3091345833055	85.5444415196982	20.8691017224934	120.938628158845	84.6330275229358	123.947498761763	145.272647317502	93.6454849498328	62.384011420414	3.16790438691536	3.21490965328496	94.6907239079322	391.198700858597	108.834425644966	111.994417290709	8.7322693691369
"C520456"	"520-45-6"	"Dehydroacetic acid"	"DSSTox_20014"	5.75881806930694	0.871296678383383	20.9719131533049	0.35236698693397	1.59703214423055	3.32981768871478	1.39746506337342	5.89496248660236	1.53138760082609	0.291970802919708	0.158730158730159	0.428199796360632	0.0461154647802369	0.575297769613483	3.04123082817308	23.56763403203	2.51133686366407	33.7489159999721
"C521186"	"521-18-6"	"5alpha-Dihydrotestosterone"	"DSSTox_22364"	17.5947323435373	78.8812793714004	9.62136929460581	31.8215002737726	34.5955190105201	90.3270509977827	141.497132508301	101.53087076215	116.967629748529	104.968383017164	39.1597899474869	2.58712204463674	3.1661529927592	128.411756820611	125.176617608648	134.992692112847	3.73422908563473	15.2477064787588
"C5216251"	"5216-25-1"	"4-Chlorobenzotrichloride"	"DSSTox_27593"	0	0	0	4.29068798117001	0.538861654754332	17.364657814096	1.08869676593019	2.41193535018649	0.102599179206566	0.149476831091181	0.274536719286205	0.473880569981281	0.118394700802225	6.24306078094771	64.6946839545501	9.77174788609495	5.11586791637847	13.884508129541
"C52225204"	"52225-20-4"	"dl-alpha-Tocopheryl acetate"	"DSSTox_21356"	0	0	0	1.57896092522474	0.632043607664783	2.3538344722855	1.96228729112372	0.640204865556978	1.24766958267604	0.283687943262411	0.421052631578947	0.280163204396735	0.103997720534225	0.443601258332131	4.89720406836073	33.4684012552416	16.6713743303255	13.4226694068228
"C52315078"	"52315-07-8"	"Cypermethrin"	"DSSTox_23998"	5.58193026578939	6.97748806971437	0	3.83402386989055	0.0239887949112799	5.11202958451164	3.36552973136131	3.81053839219864	3.10521813515826	1.59489633173844	0.634115409004439	1.9238963048084	0.861899184154399	2.45213049602842	29.4409497445334	18.0046576027316	16.5172323909007	9.81285681596052
"C5234684"	"5234-68-4"	"Carboxin"	"DSSTox_23951"	3.50398892743315	6.24330002074834	0	1.64348925410872	0.692427263734711	10.2162331557505	4.81264429053454	4.38247011952191	3.60921872735179	1.40105078809107	1.28755364806867	0.358726638166844	0.269524655910537	1.14821696463217	24.9986684441669	9.82386957689623	26.8076144645051	4.11058345890855
"C52517"	"52-51-7"	"Bronopol"	"DSSTox_24652"	0	0	0	-0.32107590719089	0.185939982021697	2.74356103023517	-1.43057161989408	-0.350750966813562	-0.598974211828845	6.97865353037767	0.433212996389892	0.69437371744174	0.0413234653984892	0.75236183105273	2.310116041731	1.33479638330119	3.66532290405762	7.785107524949
"C525791"	"525-79-1"	"Kinetin"	"DSSTox_35175"	0	0	0	1.48731730663034	6.51251521231458	3.78912685337726	16.3044209676334	4.04943465684986	3.43296327924851	0.75642965204236	0.284090909090909	0.696493194702916	0.215809770946478	0.839858592237865	7.33811129780594	46.50419374969	12.2307498001988	10.7258742134306
"C525826"	"525-82-6"	"Flavone"	"DSSTox_22048"	4.82783306806778	9.55048657437296	12.7492599005753	3.25053366970697	4.51239840096768	3.78083947452739	13.5905627918407	2.69198664440734	11.5766834767131	0.975609756097561	0.56777856635912	1.57852858917677	2.27536350809572	9.73408846816249	51.9189218389474	11.7752529446819	0.878447386143937	0.722798605604865
"C52645531"	"52645-53-1"	"Permethrin"	"DSSTox_22292"	11.2650584653734	10.868335366754	0	1.82203389830509	0.268375726016423	8.26258024435701	2.95774647887324	4.80269753030165	1.46178678950996	1.03857566765579	1.25874125874126	2.09509936237411	0.696380680676136	1.8048524046371	1.86849062277398	20.3465112440939	16.5849874828266	6.84794283245751
"C526750"	"526-75-0"	"2,3-Dimethylphenol"	"DSSTox_25143"	4.24146517299737	17.0595376805808	11.0241195538707	1.77058939397255	0.66279096070758	5.52960675003767	5.08612284692883	5.75715816873373	5.11631531777267	1.75182481751825	0.158730158730159	3.39045335429752	2.3715585718835	1.60434046698461	18.0681194618654	17.9619610101776	4.49349969461652	4.81262178137368
"C52686"	"52-68-6"	"Trichlorfon"	"DSSTox_21389"	2.8165178638918	8.62777059303797	0	13.7630291427356	6.55637290647004	25.0075964752355	33.4396682351065	38.5494106980961	56.2429527174322	17.3184357541899	84.0228245363766	1.90346067229563	0.412903176763836	7.18790463306565	66.1772969706593	2.50198295246285	8.2858819387354	1.62265012655728
"C527606"	"527-60-6"	"2,4,6-Trimethylphenol"	"DSSTox_22049"	0	16.1110872854929	0	6.24953555770231	0.443065164562481	3.9924670433145	3.3011209895632	6.50675229011238	0.98331346841478	0.0719942404607631	0.410958904109589	1.69957470659871	0.469643153306403	0.380001415299559	12.9964795294228	6.30117727638778	5.32907752752763	5.36391036990164
"C527680564"	"527680-56-4"	"PHA-00568487"	"DSSTox_47285"	0	0	0	8.58053784308289	0.449005772931367	4.01616569840869	1.73654671508749	3.30802603036876	0.349139330951609	2.78260869565217	0	0.485426827170242	0	1.22270760754129	1.37316633579045	8.37989901803635	5.15377492975364	9.20420902477402
"C52806538"	"52806-53-8"	"Hydroxyflutamide"	"DSSTox_33562"	10.9082645076619	4.78383730503081	16.6377750979801	0.441923355979157	0.317460467884361	0.673400673400674	4.50840550178298	-0.059117861196905	2.7657735522904	2.37730061349694	0.431965442764579	0.274612271858208	0.109353960034272	0.446430202758589	2.05836123703826	69.1521661216437	28.1256453226376	81.9773190370454
"C528290"	"528-29-0"	"1,2-Dinitrobenzene"	"DSSTox_24066"	0	0	0	1.90592185391224	0.939614876839088	1.73661360347323	0.137446548564447	2.28053733208372	1.68636090526737	-0.159489633173844	12.0956399437412	0.569101322357078	0.246905255327206	0.621991388863833	49.2924234625231	2.65518547242689	7.82522372913933	4.9483117446755
"C52868"	"52-86-8"	"Haloperidol"	"DSSTox_34150"	0	12.3245628293372	0	5.14779493123979	8.06760079622185	2.89281997918834	35.3394604209902	1.26194560156824	12.0505136986301	1.29136400322841	3.26704545454545	0.595642586812394	1.4403822747785	0.174734594030179	10.626390868441	5.65203202220018	15.2155745987915	29.5517906301348
"C52918635"	"52918-63-5"	"Deltamethrin"	"DSSTox_20381"	0	0	0	1.47823184397501	2.05164729127418	1.27447932856699	4.1468284441714	0.872493494566052	3.57046009219922	0	0.144717800289436	1.28498428001411	0.381565398139687	2.48154798570744	18.1615071622586	17.7363954673867	23.8411468952655	18.2776064298993
"C53032"	"53-03-2"	"Prednisone"	"DSSTox_21185"	1.78244628845044	15.1689491844138	13.5710720425933	9.54773869346734	0.0669621504416314	0.975202006129833	0.722929435800722	1.97947806415125	1.48971388034996	19.4762684124386	6.17469879518072	3.2214671507668	3.10518795802843	0.670497381903354	60.9005348490526	86.786872644611	3.67564813439393	10.1013895428675
"C53112280"	"53112-28-0"	"Pyrimethanil"	"DSSTox_34877"	0	0	0	2.62867527747128	0.473672425375062	8.20760410380205	5.50811272416738	6.10609037328094	2.51827782290821	1.73124484748557	0	0.429829358358293	0.531493858563805	2.09378496862085	23.4394706155031	19.2267841408052	4.27804147765284	8.46004700920316
"C5315797"	"5315-79-7"	"1-Hydroxypyrene"	"DSSTox_38298"	0	9.64722239469226	0	0.0666000666000666	0.685102488003772	17.9805137289637	-1.54747596153846	2.04501986170369	-0.719922469887859	1.26182965299685	0	1.52352311598538	0.963813197152152	9.23722783210824	29.9428817251301	26.5609680744391	6.65206620969786	7.06993818445517
"C53167"	"53-16-7"	"Estrone"	"DSSTox_22367"	110.218559282249	99.7876474189897	92.1888561013713	202.079061561204	293.698901643406	219.648318042813	303.592814371257	123.297106995255	171.505619331706	108.668730650155	102.745435523607	2.31777319073274	3.77108691201096	114.898191475907	104.395018414733	138.952448833954	-8.1675167013864	23.4304405391414
"C53190"	"53-19-0"	"o,p'-DDD"	"DSSTox_20372"	5.52520438606687	34.8412143453817	59.8842829130879	26.898561282098	23.4368623894808	70.0699300699301	56.0808496060295	33.0893362169356	40.4015536954976	99.8435054773083	107.377049180328	3.76826653196467	4.36447637636906	29.2097126392976	63.4529255939395	45.6517138012261	58.2305492372495	8.93904180287782
"C532025"	"532-02-5"	"Sodium 2-naphthalenesulfonate"	"DSSTox_41442"	0	0	0	0.764693030369237	0.830814607151723	1.810379509186	1.84228979409702	2.72843178920527	2.45837935124964	0.307692307692308	0.43731778425656	0.47313022461068	0.159902645604243	1.73270554191599	2.79272068070883	15.2728378767818	2.00663645131394	8.20691389524681
"C53219219"	"53219-21-9"	"7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv."	"DSSTox_41557"	0	0	0	0.828566475992374	0.508078174144466	0.944317811787692	2.87183883411916	2.06508535259894	0.558946353999357	0	0.32258064516129	0.0624153616325522	0.169848180327905	0.930969529895658	10.5804206207203	13.6958458992835	3.13614501618624	6.21809665606259
"C532274"	"532-27-4"	"2-Chloroacetophenone"	"DSSTox_20293"	5.05319467933263	14.7976744553787	3.16128460424853	-0.275951627302979	0.963147929643553	-2.46961975695806	2.03238598810311	-1.05708245243129	0.219209223025088	52.8511821974965	75.2089136490251	3.98357932075208	0.194787959941843	7.37299948838652	6.62306772804202	5.29977512634886	3.70862505958292	3.08072270409216
"C532321"	"532-32-1"	"Sodium benzoate"	"DSSTox_20140"	0	0	0	2.82506338283231	0.25634226111553	6.36550308008214	2.81465007992216	0.875043752187608	0.635208711433756	2.62725779967159	0.626740947075209	0.504758068735359	0.18115115099325	0.355719969301089	0.615812143864652	1.18458811322415	5.73596748937242	3.26262173801024
"C5329146"	"5329-14-6"	"Sulfamic acid"	"DSSTox_34005"	0	0	0	3.54706684856753	20.3490725885052	4.19919814306816	12.6140295690469	1.51515151515152	-0.383538924017829	124.522292993631	0.318268618714195	0.318795034242359	0.158851517034318	0.62335442259894	2.3017377075043	16.8291045949433	3.37900713469741	7.08059057875387
"C533233"	"533-23-3"	"2,4-D-ethyl ester"	"DSSTox_41346"	0	0	0	2.69021939414785	0.433245924067951	3.99514689314499	7.62193310758629	4.24427480916031	2.12808539026017	0.465116279069767	0.289226319595083	0.213907548362622	0	1.43452617749285	4.60432682333827	5.39501472324963	3.36328133219074	11.2733455468095
"C5333426"	"5333-42-6"	"2-Octyl-1-dodecanol"	"DSSTox_36288"	5.48018662349462	16.4061812872698	72.3832379545874	0.808809198986552	5.6184492660179	2.00464232960541	1.21107266435986	0.824242424242424	0.50792992640199	0.318471337579618	0.954805856142584	0.472698067666037	0.194483140416643	2.41559551509651	14.9585819276507	28.8285873914804	15.8662023142888	6.53772162141205
"C533744"	"533-74-4"	"Dazomet"	"DSSTox_24902"	6.19116236021141	7.54634833684277	0	1.2194870313435	0.39320500629642	-2.0514029709974	0.72189264527196	-0.790975995598048	1.58599720601528	-0.615384615384615	0.56657223796034	0.528398757428082	0.446379450609238	0.811932078695409	3.4174823038035	4.67865817271463	36.994023727715	2.10211165937757
"C534134"	"534-13-4"	"N,N'-Dimethylthiourea"	"DSSTox_42191"	0	0	0	1.09831943893079	0.426491636426723	1.2232013678811	1.33691335235218	2.84371909000989	1.68897279439032	1.36869118905047	0.423131170662906	2.38343010025031	0.875509213799733	0.500087845431956	2.26417512411342	29.9846890906689	3.13103413793439	8.10051371689306
"C53430"	"53-43-0"	"Dehydroepiandrosterone"	"DSSTox_20379"	27.4214143343576	74.0471502422112	41.7725519944371	96.4108452477961	136.347995975914	134.486486486486	155.285498313757	120.150452201843	116.394308789674	101.545595054096	101.304681504221	4.4560086678297	3.53480017558322	134.401238053353	115.915028532592	188.600794972301	1.01040145530479	11.596355349699
"C534521"	"534-52-1"	"2-Methyl-4,6-dinitrophenol"	"DSSTox_22053"	10.0574745941436	10.6662935545849	25.3643367678455	1.82564453375518	0.105588656761445	-2.85313376987839	0.817295017136831	2.31739513053682	0.301471892179463	0.587371512481645	0.840336134453782	0.664281081090692	0.20793086487569	1.76822558315562	2.15132503914875	3.10887886872302	57.9204096877346	101.575642254764
"C5349519"	"5349-51-9"	"4-(2-Methylbutan-2-yl)cyclohexanol"	"DSSTox_40716"	69.6496135095849	94.1079289437073	15.6870161636029	11.9448794237394	0.481479377343484	53.3460243080978	4.68419255412327	44.3606138107417	4.23492675905903	81.4388489208633	89.1104294478528	3.7587041171338	3.74340937696794	0.768267317146096	7.39870462508289	126.278894981595	3.7347959188118	5.30018308392068
"C53703"	"53-70-3"	"Dibenz(a,h)anthracene"	"DSSTox_20409"	-159.838645175873	-225.162811325599	7.60659238006272	2.18089095545223	0.877651378113652	2.84032376747609	3.04172556410659	9.08302623021894	2.93322734499205	1.32827324478178	0.280898876404494	0.893877267974266	0.949230236498265	14.116850358619	21.3881454761134	20.3051351695562	2.59763959976256	23.4576091443157
"C53861"	"53-86-1"	"Indomethacin"	"DSSTox_20740"	12.1671189627343	1.63105066301008	19.2149745654939	2.16230154344863	0.677655135678987	-2.02101859337106	-0.237990304098723	2.11406096361848	1.85885443617402	0.307219662058372	0.137741046831956	0.278665057547562	0.528157626553209	0.311872870187082	2.33088437315169	20.0566384769655	30.1823812946952	2.94251177970188
"C53894238"	"53894-23-8"	"Triisononyl trimellitate"	"DSSTox_28033"	13.1812906534237	14.5049972232198	25.0383403507794	2.59535093658317	0.192989025549442	-0.791389680278566	1.74221921515562	-0.182232346241458	0.955303667772113	2.30061349693252	0.568181818181818	0.28099516970164	0.0833685818474377	2.42659834528299	2.5699468858331	15.1488930559011	24.4176508122954	7.12826344388572
"C5392405"	"5392-40-5"	"3,7-Dimethyl-2,6-octadienal"	"DSSTox_24836"	0	10.1445189237635	0	0.342444430608305	0.702143917876555	3.71014492753623	0.865735115431348	1.03025878153647	2.21916394288663	1.61579892280072	0.305576776165011	1.16620383600324	0.950207334134393	1.93614769058945	4.7244303355421	6.91646264923715	2.42413061237854	6.0786686991495
"C53939289"	"53939-28-9"	"(Z)-11-Hexadecenal"	"DSSTox_32303"	0	0	0	3.44326679937591	0.439450244794432	6.25	0.046056419113414	0.542154474738744	18.7970988855475	7.71704180064309	4.6242774566474	2.63476744221536	2.81595010618993	2.43341850598882	52.6226049539697	53.5985556523184	6.82033321270675	4.25233137062935
"C5394365"	"5394-36-5"	"5-Ethyl-5-methylhydantoin"	"DSSTox_41368"	0	0	0	0.896579293015819	2.79986518705296	6.14173228346456	2.1671826625387	4.79624166939801	0.802619494469512	0.165289256198347	0.274536719286205	0.490613273885574	0.0933417411406638	0.835109802049802	4.59048235723926	16.4040051314398	7.48271187986108	5.43093823494645
"C540181"	"540-18-1"	"Pentyl butyrate"	"DSSTox_41604"	0	0	0	0.218662356799924	0.584593232541397	3.53329664281783	0.795755968169761	1.91304347826087	0.999722299361288	0.32626427406199	0.292397660818713	0.359123995300795	0.103683644014578	1.7106172785493	7.32647936607118	10.7159163589354	3.33638223708704	10.822092244253
"C5407987"	"5407-98-7"	"Cyclobutyl phenyl ketone"	"DSSTox_48201"	0	0	0	-0.0263227165043423	0.280536385569209	0.689202494256646	1.14678899082569	-1.18870728083209	0.644972148929933	0.167224080267559	0	0.387602028460668	0.210968974297892	0.4634238001581	4.9364047189735	23.5489696735581	5.09968051508545	5.11034307224686
"C540885"	"540-88-5"	"tert-Butyl acetate"	"DSSTox_22055"	0	0	0	0.754224793013497	0.0138506286646453	2.87380258225739	0.780710605980136	0.493073491429914	0.753812484802169	0.168350168350168	0.544959128065395	0.0775174676756676	0	0.667441673358278	1.46683121109702	15.6311539338138	2.80134798956759	7.88936961385786
"C541026"	"541-02-6"	"Decamethylcyclopentasiloxane"	"DSSTox_27184"	0	0	0	6.42970518591762	62.0747512149965	0.144540804981097	21.3023155858808	1.34243120967144	54.4517739347477	0	0.3003003003003	0.609071119234963	0.0655756713480678	1.05385131772571	3.30166390750338	13.5811405546061	6.33119769933394	12.3987287499819
"C54115"	"54-11-5"	"Nicotine"	"DSSTox_20930"	3.79210743491635	3.12942887459282	13.7875377598768	2.41618133165434	0.572402044293015	5.46184738955823	0.998940517632813	3.02801622488445	1.82905518232302	0.838574423480084	0.416377515614157	3.2864250873961	1.82379073443297	2.65101747841745	4.28577463293313	13.7774957975498	6.46860825310637	4.78234984463192
"C541731"	"541-73-1"	"1,3-Dichlorobenzene"	"DSSTox_22056"	0	0	0	2.565716984102	0.238500851788756	5.22088353413655	0.514605721204782	3.51853598717102	3.08725874723312	0.838574423480084	0.277585010409438	0.160839490126676	-0.0256048161504	1.21573362593309	1.41042148772316	6.49916921408065	7.08097295297096	7.09336410108475
"C542927"	"542-92-7"	"1,3-Cyclopentadiene"	"DSSTox_27191"	0	0	0	5.82715301952475	0.872823653064022	3.85976740266307	-0.484150908924819	2.73190621814475	1.33451242061259	0.142450142450142	0.309597523219814	0.411414586061508	0.0876687440672169	1.50540859341485	22.3312922889105	14.2710541544546	4.39571743481812	0.769930534923898
"C5437456"	"5437-45-6"	"Benzyl bromoacetate"	"DSSTox_40343"	0	0	0	-0.219350531686616	0.15393098377981	-1.77183711532484	1.0443864229765	-0.795958977498851	0.213926300882822	0.301204819277108	0.289435600578871	1.05282768835422	0.668853375083257	9.18371825913152	76.3136243402217	11.1111759174954	5.5853575531539	4.26083169219468
"C544638"	"544-63-8"	"Tetradecanoic acid"	"DSSTox_21666"	0	0	0	3.79900105948237	1.66567655257506	-0.42137198719029	2.74961176578058	1.14169215086646	1.80078784468205	0.284900284900285	0.773993808049536	0.482100003238891	0.264827687656841	0.640468873336279	7.46290950596844	11.759160434613	11.7164914957976	19.3732844748925
"C544763"	"544-76-3"	"Hexadecane"	"DSSTox_27195"	0	0	6.22955551279584	2.04844032127514	0.829020026240286	0.985507246376813	1.85297691373025	3.64241096779427	5.5307070359539	1.25673249551167	0.458365164247517	0.443909884619922	0.540374666016205	1.69281075304805	27.217367089171	3.93355823402652	7.34981424217642	7.2088734231957
"C54593838"	"54593-83-8"	"Chlorethoxyfos"	"DSSTox_32344"	4.07426639233553	6.67968785046968	0	9.61783139343104	0.661215070486128	33.4452169743467	2.20044696578993	26.5822784810127	4.39890836763958	10.9118086696562	1.95258019525802	2.37113785562013	0.984022909950816	2.89220521029403	38.7036197905821	11.8256726882091	2.88787021651461	9.54387735529925
"C54626"	"54-62-6"	"4-Aminofolic acid"	"DSSTox_22588"	0	0	0	2.75009670467314	0.758364312267658	5.34220124436816	0.618936099029776	1.20839202312996	-0.716032134125044	0.612557427258806	0	0.469659381841423	0.0835233555622799	6.70908578721192	1.76474889090364	1.51672161916993	11.6486903259437	26.6929667245007
"C54853"	"54-85-3"	"Isoniazid"	"DSSTox_20755"	0	6.32564505309995	0	0.981008678153692	-0.383077388353104	5.41840333440205	0.364068652945985	4.3547813722005	0.184723376743327	4.81727574750831	0.49645390070922	0.891721548003888	2.0587224391227	2.39161285644387	5.89845636347757	23.913385437717	5.26202145240919	4.44441493047505
"C548629"	"548-62-9"	"Gentian Violet"	"DSSTox_20653"	8.24317493407106	14.4124481508024	24.571001574551	-1.76229508196721	0	-9.21383647798743	0	-6.25366425640023	0	-0.96696212731668	9.11764705882353	0.257063052768978	0.59915784217781	39.3162550855476	3.10848867178555	14.3101207573834	71.1499468958193	111.697283145634
"C54965241"	"54965-24-1"	"Tamoxifen citrate"	"DSSTox_21301"	98.2840841852829	100.185596198233	79.8438778292882	244.55530013982	303.037717202537	235.688748685594	302.451202905129	135.714842228282	258.017661535492	107.373271889401	111.764705882353	0.283685131856495	0	61.5350874466447	1.3629777571803	23.1005409478764	102.68943641475	102.691136567766
"C550447"	"550-44-7"	"N-Methylphthalimide"	"DSSTox_27198"	4.98164911885016	6.66814774083003	8.18729314741468	0.203541178787945	0.348361119279752	2.51619707699261	0.698732531686707	2.08237635890369	1.2586213614932	0.291970802919708	0.317460317460317	0.128695719952977	0	0.329271088458329	3.38629924390606	12.1681803474202	1.61786492036686	1.75197490798494
"C55185"	"55-18-5"	"N-Nitrosodiethylamine"	"DSSTox_21028"	0	33.6458111872237	0	2.43755223326214	0.0691635006205766	4.08912830558276	0.569661458333334	-0.22525693368999	-0.0783807460002762	0.278551532033426	0.137362637362637	0.854301383993344	0.057643768787284	1.46598070460745	8.1434999617146	14.7141603853819	5.41003027577262	9.84819000819708
"C55219653"	"55219-65-3"	"Triadimenol"	"DSSTox_32493"	5.56106767797011	5.16132020538881	19.7738579828132	9.99898280948022	4.13711824111515	29.5587205229979	49.3903457491231	57.7689243027888	68.5094471658502	2.01550387596899	0.666666666666667	2.81343311643073	1.1300696719791	5.26107824582893	11.969471581463	29.8910994101204	0.956034990602719	26.9054791897859
"C552307"	"552-30-7"	"Trimellitic anhydride"	"DSSTox_26235"	0	0	0	0.497438007255863	1.82953333069902	2.32124110579727	2.46114601539988	4.38237965485922	1.41723740421781	42.6141450313339	22.3011363636364	0.130929907516849	0.0692394528707426	0.517396354331299	1.02775182423816	16.2675711608555	8.39710704215129	17.4182390572318
"C55283686"	"55283-68-6"	"Ethalfluralin"	"DSSTox_32386"	0	0	0	14.9557522123894	0.632762329444645	56.5340018802883	1.59829515183804	5.21722633276418	0.37203459438566	56.9176882661996	16.0228898426323	3.22564149860029	0.863942235043413	0.979526042319097	8.53465522972151	17.8912142168541	9.12038658228534	11.4067813057407
"C55285148"	"55285-14-8"	"Carbosulfan"	"DSSTox_23950"	9.35095474388368	8.86010812602917	33.4588181610769	0.265819980801891	0.0487372064832983	-3.08008213552361	3.10001631587535	2.26320948053105	-0.247976077601926	0.991501416430595	10.5426356589147	2.59398145082404	3.09193031501291	2.87933038446343	37.3445408715323	1.09568879530705	43.3369687988194	7.33460469124652
"C55290647"	"55290-64-7"	"Dimethipin"	"DSSTox_24052"	0	0	0	0.191830286617017	0.68842353890025	2.18423551756885	0.541271989174561	0.656036446469249	0.648418551700243	0.766871165644172	0.426136363636364	0.342484745521133	0.208158296227128	0.558037806388002	1.98310555255775	16.6191071888194	7.30991413381928	16.4090907013859
"C553264"	"553-26-4"	"4,4'-Bipyridine"	"DSSTox_27200"	0	0	9.28678132301681	0.681569038654022	0.651451096032618	5.44090056285178	1.79467785188751	2.25221690339795	1.48097124160496	0.993377483443709	0.669144981412639	0.343085492996359	0.0849707688824503	0.70331159637562	4.7563133914742	28.161464336374	3.8367254761887	24.5750230215163
"C55335063"	"55335-06-3"	"Triclopyr"	"DSSTox_32497"	8.8736128643053	8.05013313507158	0	3.14383642595438	0.516368893937829	4.26904176904178	0.891569424413269	1.24212887087035	1.2404149751917	1.4308426073132	0.309597523219814	-0.0603756563547998	0.17973772484587	0.102537417653236	8.81485005897985	33.1365396606131	3.63216780425343	34.5702272795064
"C5536618"	"5536-61-8"	"Sodium methacrylate"	"DSSTox_44823"	0	0	0	1.10272149492096	0.259905631579406	1.11077142565984	1.22243802124986	0.988228455166401	0.674684658257555	0.22238695329874	0.286327845382963	0.114463996395253	0.107541932796547	2.68764406586517	8.08255978900784	7.31158281718814	2.94732959086542	4.58786623924605
"C553708"	"553-70-8"	"Magnesium dibenzoate"	"DSSTox_44693"	0	0	0	0.964262462388485	0.420032310177706	7.91254554919312	0.18981018981019	1.02988105599072	2.62897153048418	0.165289256198347	0.443786982248521	0.570925147541683	0.3466006063004	1.19702200701311	0.808391749939046	7.5663701711485	4.8990098161675	10.2488662724194
"C55389"	"55-38-9"	"Fenthion"	"DSSTox_20620"	8.34185229189952	21.5286231027534	0	3.75456721683256	0.0752630115021516	27.7067348678602	1.60403644852775	19.7348823354185	3.22477008955464	0.439882697947214	0.691562932226833	3.74200389877496	1.50460019225882	1.3134711312359	24.4592516152225	9.43727774715436	2.9676867103999	7.50507615217056
"C55406536"	"55406-53-6"	"3-Iodo-2-propynyl-N-butylcarbamate"	"DSSTox_28038"	10.5253024337165	3.14845693716584	19.0308343039294	1.57858866437031	0.0401486988847584	1.05127655009654	4.23218467714955	2.15731336644673	3.16975200838282	52.3736600306279	0	0.394990934856864	0.189807298562124	3.50251414849632	2.58752428091793	7.40848203962649	8.32460259205154	79.088477451172
"C55512339"	"55512-33-9"	"Pyridate"	"DSSTox_32639"	0	0	0	-0.042295922175503	8.19059555307989	1.79890780597495	3.72437993460404	2.53611556982344	0.269541778975741	0.14265335235378	0.150375939849624	0.39105584499003	0.469142803764686	0.677691832134723	3.31248450390918	56.7903587415677	5.87637875019341	15.2015949748919
"C55589623"	"55589-62-3"	"Acesulfame potassium"	"DSSTox_30606"	0	0	0	1.59918339571283	0.721771649302082	4.70637234485631	0.472675128790695	1.50270016435783	1.14287699308716	0.168350168350168	0.272479564032698	0.0579688022272043	0.120117385897495	0.402556440325456	4.69986696040617	8.67460010849592	11.0384753636363	6.42145073329053
"C556525"	"556-52-5"	"Glycidol"	"DSSTox_20666"	11.7228965798813	13.3632430469284	16.1458918736653	0.891924742779861	0.461605688634648	1.99692780337942	0.535727759752508	2.03513909224012	1.1733125514136	0.603318250377074	0	0.395976346054339	0.101590032516657	2.40175878645502	1.30398770850579	9.74787034423013	9.22711303988427	6.38298228987418
"C556616"	"556-61-6"	"Methyl isothiocyanate"	"DSSTox_27204"	3.50637792032493	7.74705292199648	0	1.37778533764246	0.821141686817709	8.75209380234506	3.04860915987637	4.22363094783472	1.71573536284131	0.823045267489712	0.261096605744125	0.642959920069191	0.234421667025702	0.968315561983323	39.4526184702469	15.3599596978233	3.38090472759039	10.7862237274085
"C556672"	"556-67-2"	"Octamethylcyclotetrasiloxane"	"DSSTox_27205"	2.36322046971833	12.8441923085078	18.5975952354197	4.76332020509772	1.15479068216647	8.73822975517891	1.53846153846154	6.39342714137312	2.1826579261025	1.07991360691145	0.136986301369863	2.28242531187413	1.46865284053226	1.43601951855668	3.02329804271122	3.60827214636968	6.17436955229667	6.74312222017709
"C55814410"	"55814-41-0"	"Mepronil"	"DSSTox_37565"	0	0	0	4.45139199047194	2.17833876221498	4.704	1.23914302258251	5.15269573960035	1.15113036254673	0.46875	0.501672240802676	0.166000694799752	0.217591435072628	1.19379348952985	6.07368032240091	16.7390337598143	2.60492890770252	1.43245791018576
"C55934935"	"55934-93-5"	"Tripropylene glycol butyl ether"	"DSSTox_42503"	0	0	0	4.11178355286579	-0.12003200853561	0.509604076832617	0.865727380750298	2.12131256214783	1.05181648060915	0	0.269541778975741	0.24513590282255	0.209039516193066	0.396623340304306	2.29852732212824	4.80763929180802	5.59839460555545	6.7365892178211
"C55981"	"55-98-1"	"Busulfan"	"DSSTox_20910"	0	27.4818714428956	0	5.99801339683672	0.273296640728791	1.38188199166484	1.26857557085901	1.57050752190445	0.691326988687376	0.21505376344086	0.412654745529574	0.478775935166959	0.12107768656309	2.19727069789264	2.89668298124881	18.7582103420907	9.11081568667042	3.50148823209067
"C5598130"	"5598-13-0"	"Chlorpyrifos-methyl"	"DSSTox_32352"	5.5396741600564	13.4555331752726	0	1.23810387020756	0.382714853211898	3.42205323193916	0.0228293128376828	8.84881686068629	1.89336050263202	0.455927051671732	0.241984271022384	2.52226366412426	1.48187295727856	0.804971897359121	1.77639869058123	14.2531575043824	11.5169521146452	8.82012153548335
"C5598152"	"5598-15-2"	"Chlorpyrifos oxon"	"DSSTox_38666"	4.14759013133851	3.17792083530734	0	2.37673830594184	0.321876619196407	7.14509558132248	0.142070680163381	0.53120849933599	0.555636082524036	0	0	1.51506576939517	1.07247486262516	46.0372274443181	8.76940494321322	10.0209958908897	72.66942244208	93.292720376214
"C56042"	"56-04-2"	"6-Methyl-2-thiouracil"	"DSSTox_20890"	0	0	0	2.02505354708899	0.628692491861446	9.1732045866023	0.0142328494164516	6.86051080550098	0.568643379366368	1.89612530915087	1.27931769722815	0.28611338364057	0.127111917903333	0.231619881727229	5.1031380453523	7.09180802353105	6.36266767947413	5.40526412707425
"C563122"	"563-12-2"	"Ethion"	"DSSTox_24086"	37.551456197537	29.7201678992604	10.8882361169394	27.0963330199162	4.84998847920094	51.4043109079033	29.9149265274555	40.9653040192374	23.3472370898084	71.2056737588652	10.0550964187328	3.33599287717184	1.02865944438553	2.39572054525167	34.3091833937733	12.4922246974324	17.9291441091508	4.83865015316052
"C56375792"	"56375-79-2"	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	"DSSTox_44443"	0	0	0	1.08130742136506	0.588516419744658	2.49520153550863	3.65958421625336	0.499924253900924	0.879188024033402	0	0	0.183687988019053	0.19887254822005	0.614730898321284	7.18439362043079	22.4707769315665	2.23401788004228	13.7325293697824
"C56382"	"56-38-2"	"Parathion"	"DSSTox_21100"	5.74483865888277	22.3262326385373	0	3.78457883124965	-0.0210285988944965	18.6745296265094	4.87672926810418	4.19413394477883	4.18935337263196	2.02090592334495	0.445765230312036	2.93067441281093	1.07186625892877	1.3500056842582	5.86162782765835	13.6007231648167	8.94400461465865	3.46209481545618
"C56531"	"56-53-1"	"Diethylstilbestrol"	"DSSTox_20465"	102.495241771327	101.111819304466	101.373274310103	127.946514556634	176.5392858705	131.205151908438	128.052822107786	94.0157214098555	97.7355927086085	104.482225656878	93.3155080213904	4.41301756062394	3.2953102502957	101.659125188537	96.9861815154779	118.677196734944	38.0079624345432	54.9793292855866
"C56553"	"56-55-3"	"Benz(a)anthracene"	"DSSTox_23902"	1.28848297744619	8.91959023537516	16.1343853716576	3.28936097310262	1.53911447866086	13.705391040243	14.1959221217231	10.5866928875778	32.5015873015873	3.80165289256198	1.40350877192982	3.0377048515057	2.94290023910797	4.23251259653219	67.6967271909215	7.04989080226551	6.53066118230413	13.3133977137916
"C56724"	"56-72-4"	"Coumaphos"	"DSSTox_20347"	0	0	0	3.65568848005338	0.853054899423774	4.42240686143126	0.611978271333287	0.698422663423056	1.39486826244188	0.662251655629139	0.669144981412639	0.592784678854858	0.698928862158537	0.819103620242408	3.59641039971112	14.1396929863212	14.7326063741284	10.420623578746
"C56815"	"56-81-5"	"Glycerol"	"DSSTox_20663"	0	19.3084587649004	0	1.22255288345532	0.465509944985188	5.60131795716639	1.5127186681315	1.87590187590188	2.64192540878192	0.517464424320828	0.268456375838926	0.259563185360633	0	0.363962038396906	4.25825156066284	1.62091424227766	7.1861334593413	2.97831613625984
"C56951"	"56-95-1"	"Chlorhexidine diacetate"	"DSSTox_32345"	2.07928892675773	77.5660398541842	65.5645312793537	0.64669467167809	0.900228057774636	6.08431116905693	11.4362922551369	0.359881082772648	0.383724986522056	62.5412541254125	64.9310872894334	0.873036810530614	0.707983723800822	3.9022181929204	4.29644038872844	6.18015585117076	79.0842243956886	93.8170458550067
"C5700492"	"5700-49-2"	"1,2-Ethanediamine dihydriodide"	"DSSTox_44570"	0	0	0	0.492900425070091	0.250205962225002	0.114435180644105	1.30738826391	1.17677155282681	4.11651344264367	0	0.420757363253857	0.947265796850132	0.217065926916905	1.4729195535531	4.26060027417968	7.3616017098084	6.03035912942406	4.65037311102294
"C57067"	"57-06-7"	"Allyl isothiocyanate"	"DSSTox_20047"	0	0	0	0.989085948158253	0.268402033257861	2.89090525427306	2.09185278389431	2.23030303030303	1.34411388687329	0.477707006369427	0.318268618714195	1.06277832842184	0.297441267954001	0.853198459334906	3.71768867668285	11.4679028665723	10.3643750544652	10.8080994529509
"C57090"	"57-09-0"	"Hexadecyltrimethylammonium bromide"	"DSSTox_37028"	14.824615428686	85.5485562942646	69.6525401421427	0.142259963668994	0.330264437758726	0.678017176435132	2.66493337666558	0.765579543714593	3.34723142267077	77.5182481751825	87.4603174603175	0.299424974532146	0.288055135938409	0.991699597582792	7.45114414898529	6.11713738874254	81.7343999404995	77.9821679660201
"C57103"	"57-10-3"	"Hexadecanoic acid"	"DSSTox_21602"	0	0	0	1.06445248986494	-0.026992267509249	-0.723296888141298	0.96896290688872	-0.161550888529885	2.32014037824137	0.29585798816568	0.132450331125828	0.775149363842462	0.694229983443786	5.47284209985353	38.9586781987163	20.1794569454103	10.9311532252189	7.03569040359579
"C57114"	"57-11-4"	"Octadecanoic acid"	"DSSTox_21642"	7.23402031453561	55.1882265256221	12.0433520156661	4.56546346371525	0.853523303874458	3.94357165758256	0.482948213091613	0.0888730892285797	0.350974415812321	2.6578073089701	0.0709219858156028	2.26392947712494	2.79482996927776	85.9774480576627	102.584701964669	93.7964603482501	3.87154240144965	7.43373446071513
"C57136"	"57-13-6"	"Urea"	"DSSTox_21426"	0	0	0	0.347497140846309	0.118335625419772	1.05088495575221	1.49822464709448	3.5702875399361	1.88637762729751	-0.0752445447705041	0.138600138600139	0.284832160697496	0.0356715242141575	1.4975453572784	12.7458241505221	18.5129659704421	1.89629146448151	5.85126799201146
"C57147"	"57-14-7"	"1,1-Dimethylhydrazine"	"DSSTox_20516"	0	0	0	1.87684356156517	0.867441860465116	0.268790443006472	1.53986888245159	2.16096042685638	2.43960490301083	0.294550810014728	0	0.385434826278272	0.14663268018556	1.72227219734171	2.42311549133692	14.1897350189082	3.73794678223066	5.59450404883893
"C571584"	"571-58-4"	"1,4-Dimethylnaphthalene"	"DSSTox_35423"	0	0	0	10.109819914994	0.519273224780008	5.8497270127394	4.96049426721321	3.97557251908397	3.16877918612408	0	0.289226319595083	0.573505985286155	0.159071969800731	3.13067650882924	24.6953881788581	39.9420222489842	4.75245393052982	9.79785388919749
"C57307"	"57-30-7"	"Phenobarbital sodium"	"DSSTox_21123"	0	0	0	5.04424778761062	1.477492188604	9.65214666248825	0.639318060735214	5.06545247581104	3.2033628062038	4.72854640980736	1.71673819742489	0.565239966829693	0.0287589929814247	2.03925406560102	4.01155466317344	9.05260510389212	5.62062313344324	6.44230495277289
"C57410"	"57-41-0"	"5,5-Diphenylhydantoin"	"DSSTox_20541"	15.1479986737855	12.0408067929871	14.8211218385358	0.237641191139797	1.2396261682243	1.96586735796069	5.96261185434571	3.43024150130749	2.88517924860237	0.275103163686382	0.888888888888889	0.593487594043653	0.0472207759946841	2.87483682463071	3.76406253730026	3.81149689321719	27.7734032507083	15.3474669431766
"C57501"	"57-50-1"	"Sucrose"	"DSSTox_21288"	0	0	0	4.24631093954299	0.526247494917747	3.76811594202898	0.698663426488456	0.00811227387036497	0.817134009977636	0.718132854578097	0.152788388082506	0.425693796136944	0.114892670180968	1.56069563358212	1.79521491567978	0.570076995700265	8.40857075353928	3.28651833649994
"C57556"	"57-55-6"	"1,2-Propylene glycol"	"DSSTox_21206"	0	12.8106316706278	0	4.11146251816395	1.01972467969499	12.9109514478554	3.38747099767982	1.28821710752318	9.11372780628253	-0.141843971631206	0.275482093663912	0.814297387992734	0.272207347628577	2.05584855822312	2.12518128360843	12.1484699712611	9.34052012152843	5.80518479332396
"C576261"	"576-26-1"	"2,6-Dimethylphenol"	"DSSTox_24063"	0	2.05895200321492	0	1.0832769126608	-0.063369530777429	8.32541943653054	0.558186738836266	1.67653758542141	1.47007870118299	1.53374233128834	0.284090909090909	1.44061953425004	0.424232049097478	2.68016701443795	1.52950743822503	1.51831124254675	2.45688901183789	5.27503794711463
"C57636"	"57-63-6"	"17alpha-Ethinylestradiol"	"DSSTox_20576"	109.16034374345	101.702466467333	100.153860255717	149.654715309446	138.31644526099	126.483762597984	122.155810555063	100.767598346486	99.9313647728665	105.368098159509	96.028880866426	3.48953883252499	3.72980825227975	126.466230398815	105.233364167006	120.030883232454	20.5149541979902	16.0423214653242
"C577117"	"577-11-7"	"Docusate sodium"	"DSSTox_22959"	9.31209105267116	21.4006074408226	10.1311629970606	3.14012259382729	0.661394414206728	1.76263219741481	3.09813463098135	2.95216467658047	0.687044307347168	-0.142450142450142	0.144717800289436	0.831305638961476	0.288047759422681	3.196131709821	0.910951154948434	3.33500403492023	60.5887697894993	20.0180826344005
"C57749"	"57-74-9"	"Chlordane"	"DSSTox_20267"	11.6385203608407	1.23746130093484	23.4254769684832	1.66869267322356	0.645104015624538	9.05416329830235	2.4944909651829	36.4306784660767	5.32181666202285	8.60215053763441	0.413223140495868	2.96916703728588	2.2550057438303	37.8864356756427	14.1283305763267	31.3085537487816	33.0759281070893	86.4347754486006
"C57754855"	"57754-85-5"	"Clopyralid-olamine"	"DSSTox_34265"	0	0	0	1.8897772457138	0.320536993740101	-2.89990645463049	-1.08093857105194	0.762687004986804	1.04628480226991	0.293685756240822	0.420168067226891	0.288366726025995	0.224131876811105	1.19927755280548	4.13917979745524	29.9629483088478	8.96329628844693	4.3310339563059
"C57830"	"57-83-0"	"Progesterone"	"DSSTox_22370"	30.3883724594297	74.3148526162241	10.6542960161815	0.152953254970981	1.1944788533003	12.1336885444418	5.36375462823977	8.68611136509098	7.31421480766579	4.5136186770428	1.27814972611077	1.89279039856367	2.88270044133704	2.0739882096084	34.1161082466141	44.547431218778	68.217592592986	55.9210085860653
"C57837191"	"57837-19-1"	"Metalaxyl"	"DSSTox_24175"	6.87582315573713	4.77537501777763	0	3.3879781420765	0.754396544297722	11.4150943396226	3.32054504564096	1.89564197772132	1.70167214203979	1.12812248186946	0.294117647058824	0.311802683393437	0.146708186560073	0.721085446074874	3.18111253572818	9.76323826427499	5.79410355155137	4.75578034597858
"C57852"	"57-85-2"	"Testosterone propionate"	"DSSTox_36515"	12.9241372571862	7.94974142941595	14.8324943586183	3.78498727735369	2.5196936842972	11.9115144639818	93.583940169258	48.1818790598004	80.2935158399774	10.1077050538525	8.07893258000334	3.69983205437323	4.05092393516267	94.9156923241312	127.56963684948	91.0402541617253	22.3580221947638	0.476739321960331
"C57910"	"57-91-0"	"17alpha-Estradiol"	"DSSTox_22377"	187.225861398793	101.186519398518	104.306101094336	137.087990306553	141.010445825084	116.040989606207	130.466994089736	116.730274943531	108.553843461255	98.3329471977087	95.7615894039735	3.34202265110471	3.74000646872178	116.811435870677	100.442460940082	176.24122194146	35.0014563805419	46.4577564187013
"C579668"	"579-66-8"	"2,6-Diethylaniline"	"DSSTox_27218"	0	36.0861279403817	0	3.94646714790031	0.496988147743387	5.55671175858481	2.16424547880225	5.45209507473658	0.613584474885844	0.968523002421308	0	1.26859821928916	0.580437577908083	1.30712036153862	14.5107128800382	3.37948221536825	3.25334805648394	5.86839575878591
"C57966957"	"57966-95-7"	"Cymoxanil"	"DSSTox_32358"	0	22.0720067156522	5.29900151942696	0.738981261546582	0.167908657690216	7.02433628318584	0.753442452585089	0.806709265175719	0.514466625626594	0.0752445447705041	0.138600138600139	0.0504067729554019	1.02085087492501	1.91532883651694	3.65404657883628	4.87230414379326	8.28737744385113	9.31639508009282
"C57976"	"57-97-6"	"7,12-Dimethylbenz(a)anthracene"	"DSSTox_20510"	23.63472289001	5.00774151489222	15.9654503512635	7.09900834251535	0.673253833049404	14.6184738955823	1.71030724988648	13.5175926799359	0.741718768203176	17.7498252969951	3.33102012491325	1.92871824481324	1.40102308214939	10.4197952144714	11.9259328646524	6.25936697972535	52.05573848268	31.0632499565499
"C58082"	"58-08-2"	"Caffeine"	"DSSTox_20232"	0	0	0	1.07643740619987	0.604689940680971	5.3711387736284	0.374723215806505	-0.319030148349019	0.135952369790445	0.447093889716841	0.267379679144385	1.84539229302769	0.345003252620079	3.04112837184013	8.22309307851995	1.37363508854345	5.54040008963727	1.89831710298769
"C58140"	"58-14-0"	"Pyrimethamine"	"DSSTox_21217"	0	0	0	1.44657480508017	0.422856715189163	1.99182839632278	1.20076849183478	3.98673849979279	2.18878248974008	0.597907324364723	0.274536719286205	0.830796675092774	0.777096256651859	1.36639034212051	2.20661895044352	12.0528054260763	5.47648972350662	66.9153363741238
"C58184"	"58-18-4"	"17-Methyltestosterone"	"DSSTox_33664"	4.03022542282629	60.4637079438391	13.6006710211657	3.54634229912626	5.17906404863252	39.8662551440329	50.2807123453064	65.6423173803526	87.199036918138	0.948142414860683	0.564945637587896	3.91361678887744	3.44626547132329	66.1844739344511	96.5748759395995	102.14476993138	14.3209936803269	65.8704265218662
"C583788"	"583-78-8"	"2,5-Dichlorophenol"	"DSSTox_25003"	3.76106661601612	7.5934738788439	0.0704556129638334	8.7985600719964	1.09203950101164	18.2634289919058	4.60185330610962	12.8983308042489	7.14626391096979	0.759013282732448	0.140449438202247	0.29800522595535	0.452163618173262	0.546219259304623	3.24335882475144	17.4874022990383	5.15157939368241	6.29238176031021
"C58394642"	"58394-64-2"	"Benzyloctyl adipate"	"DSSTox_47528"	0	0	0	2.22860721258334	0.699849081170657	1.65723524656427	1.11943587483473	3.5889872173058	2.94152768379573	1.0752688172043	0.413223140495868	0.336379314925927	0.170630993646704	0.552285043269291	7.73215501266379	15.3580010262277	18.7794898842329	10.9796130776239
"C584134"	"584-13-4"	"4-Amino-1,2,4-triazole"	"DSSTox_33058"	0	6.65470967685525	0	0.606015951666083	0.963568773234201	3.96910534220125	3.47942455670793	2.29075543035066	0.296891372685994	2.14395099540582	0.275103163686382	3.38622618179973	2.70055238028171	1.35996443843642	23.3189298999069	35.3744048178092	4.29161857918122	12.9693916444179
"C58430947"	"58430-94-7"	"3,5,5-Trimethylhexyl acetate"	"DSSTox_41270"	0	0	0	1.18501210047567	2.18508815407491	2.35759261971006	1.18583630483456	0.986118962376735	0.722971662834825	0.310077519379845	0.460122699386503	0.646398792157464	0.217494629857117	1.00772483734995	3.70970974125018	2.357526332476	7.38959855091794	6.32180780651703
"C584792"	"584-79-2"	"Allethrin"	"DSSTox_35180"	2.13259513882411	15.2495363249796	28.1666142392786	3.04253785147801	0.306044376434583	9.38433950986252	1.86730234406039	5.7933671349015	3.84949120454366	2.05533596837945	1.3353115727003	0.627578076553486	0.763482183269616	1.78563001192699	0.907284520276748	12.2189197526128	71.213602472913	90.1698972812966
"C584849"	"584-84-9"	"Toluene-2,4-diisocyanate"	"DSSTox_26156"	0	0	0	3.07604902199497	0.622890541393409	12.0344962759702	5.60145406477198	1.05708245243129	3.22318746447999	0	0.139275766016713	0.831942125761035	0.733361462941052	0.399120958271585	4.49501583004729	19.1703432880774	2.65097793603768	7.30429118164682
"C5850862"	"5850-86-2"	"C.I. Acid Orange 8, monosodium salt"	"DSSTox_41709"	0	0	0	1.66322292915448	2.74191565228083	0.325430032543002	1.29194630872483	0.530578050823792	1.26984126984127	0.148148148148148	0.3003003003003	0.979695903544908	0.40836220667157	0.964733966383342	4.75232182014132	10.5907918114266	5.10243943519209	28.1328202357732
"C585342"	"585-34-2"	"3-tert-Butylphenol"	"DSSTox_44825"	6.51428369396125	2.71303880425498	2.45441224356887	38.0385211423511	4.95569601985742	109.79997632856	53.5465609963204	80.7263035149092	40.1961762261014	0.625	0.891530460624071	2.53937350130046	0.537153914061814	1.68625238498182	4.2239792890341	14.679367480249	7.04580337610693	8.20704069826765
"C58559"	"58-55-9"	"Theophylline"	"DSSTox_21336"	0	0	0	0.325932742819893	0.202693175408911	2.49735449735449	1.08063175394846	2.90061140338405	2.19252620628951	1.78432893716059	0.295420974889217	0.608924558605781	0.486594883131948	1.82000909464863	3.78586008959453	2.14632541322782	2.72160952690108	3.59134171668141
"C58560"	"58-56-0"	"Pyridoxine hydrochloride"	"DSSTox_40792"	2.64880185519198	6.96339456360161	14.9003585424831	3.30619942231028	0.470677408706921	2.51363528574816	-0.34963313143251	3.93160830209381	0.524112701818566	0.778210116731518	0.281293952180028	0.584612714068721	0.237258282059416	0.302990114243074	7.3819583850783	16.5194718751115	6.19648917184591	2.85664414289877
"C586629"	"586-62-9"	"Terpinolene"	"DSSTox_27222"	0	0	0	2.24037886081549	2.21881508909975	22.893039804314	5.71106216085531	6.25231773344211	7.20627562845427	0.673400673400673	0.3003003003003	1.42076730743993	1.57360670294999	3.50590984669581	34.1745501200907	2.98059529715078	4.3666565850155	4.6077789975121
"C5870939"	"5870-93-9"	"Heptyl butanoate"	"DSSTox_42038"	0	0	0	5.46568954030646	0.848126910002403	-0.277520814061053	1.92263145703034	2.41921840636102	0.9996509155533	0.296076980014804	0.254452926208651	0.0844932030232619	0.176062193746796	1.07523367856706	20.8084165007596	12.8598961950641	5.51648566980244	5.37096633344532
"C58720"	"58-72-0"	"Triphenylethylene"	"DSSTox_22320"	6.88493034922635	20.5411245865491	58.2703840387499	124.970190994428	164.009780727521	201.295206055509	213.489780469341	60.2225812241967	64.6194839799831	96.1538461538462	95.0993377483444	3.54014354136254	4.04304457589672	40.1660590458905	89.158298500021	116.756672168346	43.0126406258251	8.60485593320016
"C587655"	"587-65-5"	"2-Chloro-N-phenylacetamide"	"DSSTox_41409"	30.5545553667875	4.98548823879436	20.5871301080319	0.542516132716579	0.303329130830972	0.357909806728703	2.10421367476518	2.30525510761499	3.98913868146788	1.48760330578512	35.6897735072066	0.107281751605381	0.365054953630851	1.83897858537238	0.601734109200517	21.5506976142252	40.5839562519182	5.96964009388127
"C587859"	"587-85-9"	"Diphenylmercury(II)"	"DSSTox_42130"	0	0	0	2.34888255587221	0.510511717650842	8.05003679175865	1.93183602952725	4.53067418166052	2.17011128775835	0.379506641366224	0.842696629213483	0.413496981203058	0.21595572623427	3.10340992263226	17.1343491416259	19.8643666875687	22.7463084598033	3.86531223651955
"C58846778"	"58846-77-8"	"Decyl beta-D-glucopyranoside"	"DSSTox_41208"	0	0	0	0.574116601229721	0.290142446819368	1.9027027027027	0.581462960809396	0.177499788690727	0.38872325168887	0.618238021638331	0.767459708365311	0.624380151523327	0.210310132873563	2.22142645019125	2.62206320366988	91.8757807000109	21.4221318982196	16.9737024902128
"C58855"	"58-85-5"	"Biotin"	"DSSTox_22679"	4.69848130964584	5.796410348184	11.836709935703	0.613062956849799	0.182726930724996	2.4739419816652	0.319172353070657	0.213504136642648	1.56182524830862	11.5625	0.141843971631206	0.0427682856057322	0	0.861925114703213	22.3047798687528	9.72934653426555	3.12895532350635	3.45953175346416
"C58866"	"58-86-6"	"D-Xylose"	"DSSTox_23745"	0	0	0	1.7226634086744	0.273109243697479	2.08282877209978	1.4510157109977	1.46865187886154	0.785881704122432	0.794351279788173	0.182592818015825	0.258562909986715	0.660533862300371	2.09210162000547	20.4209036178144	15.7540061604657	4.90059161006078	6.72326504763551
"C58899"	"58-89-9"	"Lindane"	"DSSTox_20686"	0	0	0	3.02190185749931	0.298882262224831	14.7259408941652	1.9610432485969	24.8373101952278	1.22604741799286	2.08695652173913	2.25903614457831	3.06220656568243	1.08070081457585	0.665227394666912	1.5129609967025	11.6658019308422	2.69902450134605	21.442278715162
"C58935"	"58-93-5"	"Hydrochlorothiazide"	"DSSTox_20713"	0	0	0	2.33327628501341	0.0687989855522132	3.92635314995563	0.535465414802318	-0.724368499257059	0.745410401669719	0.952380952380952	0.27681660899654	0.471443515116007	0.520266108858847	3.07841478136964	2.07637008716117	9.6483942230029	8.81150444856372	4.41620379400946
"C589684"	"589-68-4"	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	"DSSTox_42454"	0	0	0	27.741064304274	15.8147845108287	0.875316086364524	3.18492579623145	4.26660516605166	3.07529162248144	5.46875	0.991940483570986	0.151891097245687	0.186803841038229	0.0651048031556042	5.88031420748501	1.21610637181422	18.3874632626904	3.36849829705321
"C5902512"	"5902-51-2"	"Terbacil"	"DSSTox_24317"	0	0	0	4.7261648212826	-0.205823325361153	6.32768361581921	0.935446463084652	2.72924733213712	0.350119189511322	0.0719942404607631	0.136986301369863	0.325017661394131	0.53989767235904	2.54971405810692	3.60486115621179	7.60343456000906	10.07938655783	10.341111613973
"C59052"	"59-05-2"	"Methotrexate"	"DSSTox_20822"	2.44933706937618	1.85086169375643	9.02133896918462	4.69994479930605	0	5.66137566137566	0	2.79435937364824	0	1.54083204930663	0.27972027972028	0.64591666696562	0.303722705522112	3.35174528771575	3.81525770167574	7.60253627344328	18.4453270671797	28.2398040558739
"C5915413"	"5915-41-3"	"Terbuthylazine"	"DSSTox_27608"	9.67833452164533	7.14082551468359	17.0436896481869	2.49368881226525	1.87328662808407	11.4393679148059	3.16878355375147	6.2621359223301	4.97588855152706	1.32890365448505	0.14903129657228	1.4518331539088	1.22967933303223	56.598869561628	100.403190624046	36.2755990514734	5.53448635962825	6.0508763888852
"C59227893"	"59227-89-3"	"Laurocapram"	"DSSTox_42086"	8.61598176607316	14.3619780256218	16.0864416814683	1.41638745050259	5.11480961427274	1.580784233217	0.712209302325582	0.70806903673108	0.450814156910242	1.05184072126221	2.87878787878788	0.169075159222644	0.155296577380257	1.70862082793002	2.110795928109	10.677909626752	22.5367140611053	29.4403641390309
"C59303"	"59-30-3"	"Folic acid"	"DSSTox_22519"	0	0	0	5.10436549473555	0.27667783531323	7.72930264513913	1.92483959670027	3.27184466019417	2.86836935166994	3.65448504983389	0.29806259314456	0.113934689298709	0.309769166818955	1.97459252711979	43.4007771828857	7.34687631920325	7.82806080520341	5.48028359315556
"C59405"	"59-40-5"	"Sulfaquinoxaline"	"DSSTox_42424"	0	0	0	3.63515489961441	0.20095245960305	7.00815494393476	1.80814840906422	12.4009900990099	0.289199880331085	-0.526315789473684	0.152671755725191	0.217089834911945	0.244495618774288	2.53661497251736	25.2313882709398	3.93285681119981	3.44808655306076	11.4858496037603
"C594207"	"594-20-7"	"2,2-Dichloropropane"	"DSSTox_30060"	0	0	0	1.1877104596831	0.927906976744186	2.95669487307118	2.91202927275499	3.61938639395287	1.34475782458646	0.294550810014728	0	1.32063408184798	0.513764301764464	1.5255840412762	13.8044705073141	15.594737799496	9.81509944678933	4.34172209392835
"C59507"	"59-50-7"	"4-Chloro-3-methylphenol"	"DSSTox_21717"	14.4581179358625	33.5192220738115	13.0011522439212	19.1383878964014	12.7377169527219	108.31700413673	98.6542923433875	78.7873582961182	106.312059355506	-0.283687943262411	0.550964187327824	3.84813863208587	1.68332438738307	1.80782172367139	8.93663790215803	17.0239376668468	2.13821052163163	2.85176648898241
"C59669260"	"59669-26-0"	"Thiodicarb"	"DSSTox_32578"	0	0	0	0.83822924072896	0.148423005565863	9.07630522088353	0.595947556615018	2.04980052276792	0.633006782215524	16.6402535657686	31.9434628975265	0.205588549984417	0.107537726058156	1.92662470023446	4.46696328258023	31.089556256376	13.0886666303792	10.6590800643879
"C59676"	"59-67-6"	"Nicotinic acid"	"DSSTox_20932"	0	0	0	0.282725473565168	1.02829223951824	1.04595336076818	2.19009262501528	2.3799379146631	0.650709899137747	0.154798761609907	0.070028011204482	0.166071958051963	0.0478494866091343	0.921225561009528	5.00449227516753	15.5470627015599	3.97659835280447	18.4089016573528
"C59756604"	"59756-60-4"	"Fluridone"	"DSSTox_24107"	0	0	0	1.59544864263187	0.85508446377305	-0.674352838807912	0.498038031995171	3.26968778169303	1.86484174508127	0.637958532695375	1.14140773620799	0.287808240203536	0.0282792123412222	2.4153288871517	3.53862641096658	0.96556753838338	7.0680860130029	18.3726606885769
"C598550"	"598-55-0"	"Methyl carbamate"	"DSSTox_20834"	0	0	0	1.62929954045398	0.222521217139309	8.53761622992393	1.73812282734646	-0.190258751902588	1.3857424460855	0.788781770376862	0.433212996389892	0.178397833612633	0.0833283835988968	1.95278898025054	2.00947650954878	13.7072893116743	4.37638793569966	16.2173349767157
"C59870"	"59-87-0"	"Nitrofurazone"	"DSSTox_20944"	0	0	0	1.3327024682596	0.0442162666732173	1.64021164021164	-0.57905152825625	0.423912103123107	-0.0791556728232191	3.23574730354391	0.559440559440559	0.0815831510104548	0.518278605180187	0.700490096095913	10.8606384322936	41.9273969169028	1.44014594578049	69.6911975400064
"C599644"	"599-64-4"	"4-Cumylphenol"	"DSSTox_22536"	70.6453295374903	141.542700036633	14.9098474341193	155.248407294999	172.700573655752	184.653148345784	239.369550637156	110.961952087814	92.8043687761002	99.1833704528582	101.774193548387	3.61004940978621	2.14524332257561	44.9529362707276	71.0642005750821	101.855165021691	35.6138875349185	33.162511883546
"C599791"	"599-79-1"	"Sulfasalazine"	"DSSTox_21256"	0	0	0	2.20993335121639	0.550829671129843	6.24852629096911	0.42169966406976	2.00151317146984	1.15868189662257	0.153846153846154	0	0.392705659645916	-0.0244839481328493	2.4655780293903	3.30741773923748	11.4602421912203	11.5186239922229	6.86185323446209
"C60093"	"60-09-3"	"4-Aminoazobenzene"	"DSSTox_24460"	6.95699660803151	15.2650406154023	20.0250294887655	8.411978895742	21.4473034579601	53.6723163841808	128.558175492849	66.2291056757012	97.3405840286055	0.359971202303816	0.410958904109589	3.46209630407185	2.04373610564539	1.26999204668421	67.3977906217154	2.26740285934084	63.8060236606066	0.832953193139302
"C60128"	"60-12-8"	"2-Phenylethanol"	"DSSTox_26342"	0	0	0	0.0655451168887918	0.757808051162995	1.16668901703098	-0.490852298081214	1.87845303867403	42.1524113388146	0.153846153846154	0.291545189504373	0.564138339208747	0.052850398476411	1.12610700332714	4.17875260014191	9.46490603953727	3.05932624226515	2.76982803509166
"C60168889"	"60168-88-9"	"Fenarimol"	"DSSTox_32390"	16.0548367007263	23.3742829585258	0	17.4605611637815	11.9825514110211	43.9676113360324	56.210986267166	53.2059447983015	49.6838032884458	17.8150217256363	39.0728476821192	4.00929683677024	1.44122440162924	15.4886111159756	41.7802180828227	31.7958891601719	77.070954211814	24.6073038954416
"C602017"	"602-01-7"	"2,3-Dinitrotoluene"	"DSSTox_27236"	8.82379948366408	2.89018786012774	10.0667022411953	1.68409558607366	1.02750372224676	7.07587382779199	3.30597183522855	3.7682454572535	3.30508814907032	1.46627565982405	0.276625172890733	1.11155350479266	1.9315077072812	0.28765610292876	0.532957376600749	45.4159826765931	6.310211206537	10.2500321630978
"C60207901"	"60207-90-1"	"Propiconazole"	"DSSTox_24280"	3.41667125876657	0.707548916111335	0	1.80930180930181	-0.0138684714170807	11.7212872748745	-0.405649038461539	3.51625717228189	0.350731459688957	6.30914826498423	5.12465373961219	1.46457696008016	0.775132107552938	1.28232751224465	4.14763953220699	9.21955066767662	34.1303478505939	58.832379669449
"C60333"	"60-33-3"	"Linoleic acid"	"DSSTox_25505"	13.4491198160848	64.0530289603346	52.9012124057555	1.05357910026391	0.541005778925366	0.976290097629009	2.90268456375839	0.12100902913525	1.66984126984127	0.592592592592593	0.15015015015015	0.540314585286318	0.384327274829652	1.66042079305862	3.24729961366623	26.6777043064071	84.1948056282275	7.01596405528099
"C603350"	"603-35-0"	"Triphenylphosphine"	"DSSTox_26251"	13.2614608421228	3.94067645632684	18.2122763765093	101.641208470357	1.51227971125539	165.793215518992	31.6969905023458	71.8035824583076	15.7820031345181	72.8920409771474	40.1498127340824	2.95947323795126	1.6042702318221	0.771629113156796	2.31963980974601	1.13231519139963	5.28846153846154	5.0600822131454
"C60355"	"60-35-5"	"Acetamide"	"DSSTox_20005"	12.5192350217715	5.32588702458497	12.5951539235672	0.227581634408529	0.150887333588681	0.448796409628721	2.40782229661911	1.63653335561618	3.80362094274995	0.283030386734802	0.14367816091954	0.0578226063957501	0.0580633050455985	2.02317978617392	4.13782129767009	8.32063239244097	5.61349788442735	7.90625658102478
"C604751"	"604-75-1"	"Oxazepam"	"DSSTox_21087"	0	0	0	0.808772452118686	4.25503174388761	-0.107488355428162	3.46750067990209	0.988963737996274	3.53248488898339	0.301431801055011	0.121802679658952	3.55192492211994	4.12331853301908	1.85732707670413	4.5272495157563	26.926790455124	6.33076684355727	10.3300965943483
"C60515"	"60-51-5"	"Dimethoate"	"DSSTox_20479"	27.2382019024698	4.74800249641695	0	2.80181806861341	0.260961086520856	7.42028985507246	1.53402187120292	0.219031394499879	1.8579046963702	0.897666068222621	0.152788388082506	0.540161380756027	0.207091973512646	0.524693256867247	4.67115556906711	38.7617873133192	17.4369223082688	9.50093001428755
"C605458"	"605-45-8"	"Diisopropyl phthalate"	"DSSTox_40731"	0	0	0	22.570295054957	3.78368079262	50.9167367535744	16.4118092354277	21.2349667923174	6.0245661922402	1.92307692307692	5.6953642384106	2.20431129179462	1.72597776465624	1.92111593317056	3.44741961929347	9.27689837626598	4.26272358947496	14.4100466906474
"C60548"	"60-54-8"	"Tetracycline"	"DSSTox_23645"	7.68476163440427	11.5344803008871	9.36026842659864	0.261635582439212	0.217700293265684	9.91957104557641	2.02089398869669	3.18856026290079	1.11762550384756	0	0	3.5586260926313	1.46914490461829	0.739000268565334	4.47584496120822	5.10114577444115	4.04313784669515	9.49876823402963
"C6055192"	"6055-19-2"	"Cyclophosphamide monohydrate"	"DSSTox_24888"	9.06808016544258	29.7156645022989	18.1643301359755	9.99445522594954	0.809302198627052	10.7855519070472	1.53846153846154	1.89804772234273	1.90808704124716	13.9130434782609	1.6566265060241	2.51488970792991	2.6742573873327	4.32750689804864	82.9257164569689	88.738581441632	5.89472268699659	14.7101394091692
"C60560"	"60-56-0"	"Methimazole"	"DSSTox_20820"	0	0	9.67866076582644	0.519052523171988	0.645660443396487	4.31856421761077	1.38099106417547	1.94847020933977	2.65154744650013	0.410172272354389	0.136332651670075	0.460109999157425	0.413447752516452	2.82656902456047	37.042471622235	2.26270604416906	6.84625446171644	10.948005553101
"C60571"	"60-57-1"	"Dieldrin"	"DSSTox_20453"	4.0248031496063	7.81885870559594	5.39863125176582	3.93428779795033	0.119545726240287	5.18218623481781	0.842696629213484	22.9723991507431	1.91206011457481	20.2979515828678	1.05960264900662	2.57672098047013	1.08864735740818	8.04996754760528	23.3491075514119	32.0006231752851	12.8886467313075	28.2241991776028
"C606202"	"606-20-2"	"2,6-Dinitrotoluene"	"DSSTox_20528"	0	13.9829485465546	0	1.43316296959798	0.104081287485526	4.09989594172736	1.42306552030833	3.06297476108797	1.71232876712329	0.968523002421308	0	0.304492958505877	0.0660891904577724	1.20732646801771	8.08046397616092	2.29083575341058	4.16200850003931	6.03924307910724
"C6088513"	"6088-51-3"	"6-Hydroxy-2-naphthyl disulfide"	"DSSTox_25429"	30.5708298539444	80.7520537188174	37.0825266214908	72.9529764230819	34.5172558334498	86.1706221937139	87.3751135331517	112.871518839223	77.4362485024816	108.01393728223	165.238095238095	1.76084628182919	3.18380588072281	22.8638813866841	160.634014832305	80.6184642212223	92.3929803950363	3.58493175481391
"C609541"	"609-54-1"	"2,5-Dimethylbenzenesulfonic acid"	"DSSTox_41641"	14.591626335233	3.92733002291826	3.82109881827236	2.08363024826839	0.525700934579439	3.77358490566038	2.80574725647698	2.65873314754839	1.23377663835924	0.493421052631579	0.28388928317956	0.0292500210604438	0.0381771791374151	0.396376732581639	2.3023179614198	21.5268515124271	7.54792797847233	9.6904471480101
"C611201"	"611-20-1"	"Benzonitrile, 2-hydroxy-"	"DSSTox_41661"	0	0	0	0.603643132562159	-0.0963470696726953	-0.942915392456675	1.51461782317718	16.2128712871287	-0.0498620483329452	0.175438596491228	0.305343511450382	0.214178239492034	0.129200848774566	1.17232911363789	12.08169279165	8.72882649714572	5.0156987209128	12.0077624566679
"C611701"	"611-70-1"	"Isopropyl phenyl ketone"	"DSSTox_48202"	0	0	0	4.29594893838739	3.79209165851614	4.57985888389993	2.10036330608538	3.0423589983618	0.694848536710594	0.696864111498258	0.317460317460317	1.99742145589822	3.98870109783668	0.700721951421701	2.47386577339689	9.29461901960655	5.34367289390202	2.22381050641871
"C612828"	"612-82-8"	"3,3'-Dimethylbenzidine dihydrochloride"	"DSSTox_20511"	97.3578068378762	100.135185721236	127.372230164403	2.06049515229364	0.965428109854604	5.49193128578865	6.68331668331668	5.94720046417174	5.40326309531673	4.46280991735537	0.739644970414201	3.51971517136662	1.86973672811048	32.7913854809566	3.85409001037558	66.6198720517218	2.25342383669306	37.3559129003835
"C614459"	"614-45-9"	"tert-Butyl perbenzoate"	"DSSTox_24699"	0	0	0	2.30108123093984	0.0204713878236187	6.74412730487497	1.4328161109277	3.43456254519161	0.673920103929849	1.04347826086957	0.301204819277108	0.298320945329313	0.16715575589097	1.52309889866195	2.17503944867169	8.06804271772577	3.07250606476665	2.12373996512855
"C6149037"	"6149-03-7"	"Sodium 4-octylbenzenesulfonate"	"DSSTox_47594"	13.7786011978692	14.7928247482978	16.0493999441809	1.92355837436368	0.400764710047441	4.02694391565383	-0.389750393896676	-0.72231643740971	0.418270962023213	0.155038759689922	0.460122699386503	0.223509314830959	0.735800831882482	0.331504493045153	6.54679978595669	7.37725765529234	77.5493593165379	21.6372108692402
"C6152336"	"6152-33-6"	"Sodium 2-phenylphenate tetrahydrate"	"DSSTox_40794"	0	0	0	1.89835922004997	0.883969278444749	17.6157934700076	6.54606776023302	6.42765685019206	5.76796213968163	0.141843971631206	0.140350877192982	2.01384339369425	0.548782563207117	0.393245882993141	2.07684157691358	4.22444313287795	9.12722913692776	6.45422578702268
"C6153646"	"6153-64-6"	"Oxytetracycline dihydrate"	"DSSTox_23412"	15.4922028599143	7.90969390285082	12.7624761385329	6.71371529389915	0.298445242403858	21.3271302644466	2.587890625	6.33535126003097	0.788418092120431	-0.278551532033426	0.137362637362637	0.276608013304428	0.190404734001577	1.02297815576467	2.08598438482601	12.2324526229867	6.75114567153127	10.4917703116699
"C616455"	"616-45-5"	"2-Pyrrolidinone"	"DSSTox_27246"	5.59149864765183	5.3673573459442	34.7697818986408	2.17889606112502	1.1085272126224	1.48221343873518	1.6832339297548	2.06289113806691	0.548260457560579	0.458015267175573	0.129533678756477	0.276826525813933	0.0242506458137375	8.79783872725241	52.5071327320008	16.0001722121078	1.4984877742266	9.29864213583979
"C61734"	"61-73-4"	"Methylene blue"	"DSSTox_23296"	0	0	0	50.4151138334379	2.78767674445339	1440.09098663634	55.7008770580089	520.66559926807	25.6803300404981	44.267053701016	34.0136054421769	0.974529964304081	0.0589292448702771	8.52674641327274	9.25731056764102	12.628947900977	3.02452946586377	86.8272451073288
"C61791126"	"61791-12-6"	"Cremophor(R) EL"	"DSSTox_47696"	0	0	0	1.04691507014633	1.13165500191511	5.54875560995512	4.00399567135603	13.3421606044084	17.331593541021	0.4149377593361	0.458365164247517	1.72254239323469	1.04187005767814	0.982526718550711	3.28932757492194	11.8143341662178	18.4265674662812	10.7929832835706
"C61825"	"61-82-5"	"Amitrole"	"DSSTox_20076"	0	0	0	0.890406053806307	-0.123476411115322	-0.711406212947594	0.123110257546661	2.8709883880406	-0.306025537303458	0.466926070038911	0.421940928270042	0.40734806480343	0.12288342015338	1.12005460737207	35.3183816989875	5.02641817280646	5.17667265885083	6.35369437092185
"C618451"	"618-45-1"	"3-Isopropylphenol"	"DSSTox_44571"	15.0242112208111	6.19655466847741	3.30308529945554	19.8507661558961	1.52342363996383	63.2932469935245	17.0257123002085	32.7863305701235	30.4496842372505	0.296076980014804	0.127226463104326	2.28846464134561	0.843934294635707	1.22481981573576	7.89841748861007	0.207221654187585	1.73418313828641	5.59064664201255
"C6190654"	"6190-65-4"	"Deethylatrazine"	"DSSTox_37494"	6.23516116939493	2.29327798847314	17.7603423680456	2.18722201873267	0.530106169723067	1.28626420054455	3.07379364899989	0.623904661759551	2.29414682539683	0.322061191626409	0.416088765603329	0.114228233018357	0.066117396576864	1.59050749440124	6.31018409356212	34.8283005683847	2.33943926014353	9.98194171877997
"C620177"	"620-17-7"	"3-Ethylphenol"	"DSSTox_22480"	1.58232833939671	5.73543840870574	24.0675524251641	1.51496837100608	0.526563637142	10.8241291418861	6.92188162169798	10.230179028133	6.11783899102717	0.139082058414465	0.309837335398916	1.06690296815074	0.28467669959079	6.88184780679777	36.6655925471571	7.40971637071621	2.99996806619143	5.74508501623641
"C621647"	"621-64-7"	"N-Nitrosodipropylamine"	"DSSTox_21032"	8.15705790199762	6.0302403721892	26.4457295373665	-0.845475142294019	0.242379182156134	4.65565329328471	1.63934426229508	0.570835495588998	-0.13971358714635	0.918836140888208	0.275103163686382	0.300063827788393	1.65222113218485	1.22629589728047	5.38989846227823	19.8720542892489	5.35339402104202	5.34895855299531
"C62237"	"62-23-7"	"4-Nitrobenzoic acid"	"DSSTox_20966"	0	0	0	-0.0316266647924944	0.271037275597079	3.37141264976316	2.7974225994028	0.751393714147208	1.10191534641759	0.490998363338789	0.602409638554217	0.479106710991905	0.146269381345484	1.49820055369315	2.14229224067123	17.9615990803043	3.42939574925263	3.41398364725379
"C622979"	"622-97-9"	"4-Methylstyrene"	"DSSTox_20889"	0	0	0	1.75745770501849	0.823399009206687	0.888955853548286	0.146246343841402	-0.949318634206095	0.362389432256556	0.291970802919708	0	0.68397592824885	0.207157907641285	0.636427131115491	13.9594138480578	11.9858721498631	11.322212534128	15.6894717195413
"C62384"	"62-38-4"	"Phenylmercuric acetate"	"DSSTox_21150"	3.22698499380831	13.0514653118631	18.2111107914497	0.579500181093807	0.303485665458617	-1.43737166324435	0	-0.87504375218761	0	102.627257799672	77.7855153203343	0.350921152307541	-0.0608871487639922	43.2630166558573	2.01926689619804	2.01589362699496	58.5756810391708	100.773803679724
"C625558"	"625-55-8"	"Isopropyl formate"	"DSSTox_27258"	0	0	0	1.28671256543153	0.344735435595938	2.734375	1.15622479161065	4.45056691745258	0.605562968284923	1.46788990825688	0.146627565982405	0.0891494155172233	0.101440678983432	0.287065725502071	17.6955839458713	9.06444334575548	13.5614385269689	8.35090626593971
"C62566"	"62-56-6"	"Thiourea"	"DSSTox_21348"	0	0	0	-0.39974872937011	1.40180499556865	1.24552612741589	0.897308075772681	1.21271714192068	0.187677195224214	0	0.411805078929307	0.359895945086379	0.18766557960402	0.721285525447749	4.06145772031492	31.5715279922763	4.88532383082801	17.1838702890919
"C6259763"	"6259-76-3"	"Hexyl salicylate"	"DSSTox_38924"	0	0	0	5.79295778275764	0.364511921880748	46.7729688686408	2.00827839950943	4.66922748612889	1.82704718198767	0.425531914893617	0.280701754385965	1.60128363985506	2.89340883135688	1.31895815611011	38.391990444783	33.4623444578733	3.9671756047332	10.3613798952171
"C626437"	"626-43-7"	"3,5-Dichloroaniline"	"DSSTox_30307"	0.952950161038612	4.6838696920263	14.8084423032806	1.80249071444177	0.848336180589017	4.89472978409548	6.78906100592848	2.55843603909902	13.1345359348795	0.923076923076923	0.145772594752187	0.660161465963211	0.0668006166251507	5.00117906714768	46.1156467428365	10.537308587105	4.65002791485282	3.671029771534
"C62737"	"62-73-7"	"Dichlorvos"	"DSSTox_20449"	2.62050356106288	11.4783802333562	0	1.59600509154999	0.529312819246616	5.22018081073199	0.527983104540653	3.80199030364889	3.5225048923679	0.644122383252818	0	0.329364097898187	0.478829254901054	2.9312867525544	22.3441729775375	13.300255433431	3.6024332596148	7.0823492222061
"C62748"	"62-74-8"	"Sodium fluoroacetate"	"DSSTox_24311"	0	0	0	2.49401559015488	1.80840583098168	3.32620112818518	4.70235117558779	2.08717712177122	3.67077249367811	0.3125	0.247985120892746	0.172000367590648	0.099318368961951	0.480403957373257	1.61139848113524	13.4116818616264	4.03714960047139	17.0665014982212
"C62759"	"62-75-9"	"N-Nitrosodimethylamine"	"DSSTox_21029"	18.0704087983506	6.15963766837245	10.4388920082351	0.582048553370794	1.45052888296515	2.84978437092492	0.50090086814603	0.146576972430653	-0.224993750173607	-0.358937544867193	-0.286021650519788	0.241754699320666	0.0440915708627513	0.60414385006566	8.52074810191978	12.0899876686662	1.66371552419161	12.1210317135398
"C627930"	"627-93-0"	"Dimethyl adipate"	"DSSTox_25096"	0	0	0	0.200552633924592	0.0663100658679987	5.10493477027793	1.10582204320761	1.70138336778502	-1.0588862649501	0.624512099921936	0	0.451221433348196	0.160622337628569	1.42486551724986	11.4464691955739	13.8417356352987	5.48353751261222	7.736483863543
"C6285058"	"6285-05-8"	"Ethyl 4-chlorophenyl ketone"	"DSSTox_48203"	0	0	0	0.389365926613547	0.628006413682523	-0.755208333333334	1.72089271309492	1.20801102045142	0.660303123610113	1.10091743119266	0.439882697947214	0.782083578714163	1.13704646845041	0.963264242369795	0.635109741190425	12.0604669500774	1.86024650111462	5.14178675679774
"C628637"	"628-63-7"	"Pentyl acetate"	"DSSTox_27263"	0	0	0	0.310904694277051	0.4718240897356	12.6720647773279	2.3876404494382	7.22717622080679	4.63507179525333	0.434512725015518	0.397350993377483	0.335008465390999	0.116059720318956	1.78005207215541	3.21541324696534	7.1356693194648	14.4194402420575	4.27114996912324
"C62924703"	"62924-70-3"	"Flumetralin"	"DSSTox_32553"	0	0	0	62.6009219876219	15.4052002277472	47.5323535863128	25.0996737948532	19.7387998016201	6.39253007721314	74.336917562724	33.837689133425	2.86745266041049	1.47052310560795	4.49114537041822	62.9634704304638	66.0257559287253	63.5976527089192	13.5690426282528
"C629629"	"629-62-9"	"Pentadecane"	"DSSTox_27268"	19.7877856940541	5.59013156745234	14.2685851318945	1.8498446419539	0.985448517222324	-0.218459858001092	0.985221674876847	3.67491166077739	2.13148920045472	1.74880763116057	0.739644970414201	0.0575792886575479	0.862696929443664	0.613978773577965	3.53486074421684	10.26623605164	7.94260307194826	6.20909876243602
"C629765"	"629-76-5"	"1-Pentadecanol"	"DSSTox_27270"	0	0	0	1.9664832106858	0.246852437958012	0.848379377855126	3.66737096287353	-0.352372367450628	0.855431993156543	1.75438596491228	1.0145846544071	0.502240986445492	0.0179991508387626	1.59739609061926	20.691417909033	5.08510090673453	16.7059413996003	9.83594803058671
"C630568"	"630-56-8"	"Hydroxyprogesterone caproate"	"DSSTox_43915"	6.49841284034515	2.44772185002656	14.7968125308067	4.22144560936373	1.60898120582688	20.5038078500293	45.9455628012475	22.8154425612053	29.3942830328862	0.311526479750779	2.14765100671141	0.262387395201414	0.143829161999352	1.687014903307	1.21637002512004	71.3967773182816	92.7665190196513	107.035355167171
"C63058"	"63-05-8"	"4-Androstene-3,17-dione"	"DSSTox_24523"	1.86272230617227	7.37186903284464	2.3531064517262	1.68652888821843	2.84959114561824	5.62147442131881	2.18929493049197	4.19814627307423	1.49078453759582	0.691562932226833	0.611153552330023	3.97082053499978	2.98369096073553	3.46442533676189	82.9331932669908	59.0116444127127	5.32775475356656	7.11787594280406
"C6317186"	"6317-18-6"	"Methylene bis(thiocyanate)"	"DSSTox_25599"	0	0	12.9179165530406	0.337253693527126	0.337663369483176	0.563236047107015	-1.7430015845469	0.644216691068811	0.238126163571025	13.1221719457014	0.258732212160414	0.41659121447207	0.0452168362891597	5.29645265260937	1.31235023885165	20.0433699970759	13.4137173524032	97.6557786862936
"C63252"	"63-25-2"	"Carbaryl"	"DSSTox_20247"	6.14677775132503	6.19873649727048	16.6021270793564	-0.366998713121394	0.525072592414281	15.4114178504422	12.2876985491302	38.8370085537158	33.166867573618	0	0.520446096654275	3.32520375556284	1.35131412360753	0.948982883282483	4.28098991657626	10.4018772779382	11.6243654822335	6.89956775557729
"C633965"	"633-96-5"	"C.I. Acid Orange 7"	"DSSTox_38881"	0	0	0	4.78939118752021	0.88659889523279	3.69418567298426	1.90605311428344	2.2792937399679	1.30083206375249	0	0	1.16212046232613	0.889838665425816	1.18211587596278	4.75730473742581	12.9008448833	8.47967806782695	32.5605898537648
"C63423"	"63-42-3"	"Lactose"	"DSSTox_23193"	0	0	0	1.20506577735949	1.08036802644981	3.28729819101342	4.65232616308154	2.559963099631	1.64776898605106	0	0.37197768133912	0.411646441278578	0.235630668344882	1.02130464353695	12.2403460758341	20.8880945818254	7.8312289567	10.7917879384162
"C6344678"	"6344-67-8"	"3-Hydroxyfluorene"	"DSSTox_47540"	20.8438540001699	40.7801681224607	9.33110480821178	55.7640565712315	114.278213845063	113.835511145273	192.21092664375	97.953091684435	112.206640470096	14.1914191419142	16.776750330251	1.84748307306979	1.82032758015389	48.927280627729	75.6630300275706	7.33476559693384	5.47937410190213	4.38555815601199
"C63449412"	"63449-41-2"	"C8-18-Alkydimethylbenzyl ammonium chlorides"	"DSSTox_48122"	8.46715140264026	44.3099749117493	57.2662974577968	0.741204718655392	0.775040307753232	7.19108710330857	25.7833089311859	7.22506393861893	8.33719693457332	26.1870503597122	56.4551422319475	2.33636813616921	3.18762249481717	5.17539259347793	10.7374074080907	30.8428913150443	71.3311353237001	112.475719911459
"C6359826"	"6359-82-6"	"Acid Yellow 11"	"DSSTox_47451"	0	0	0	1.38243593763361	0.634178905206943	6.07054963084496	1.92329449032696	3.68306093243956	2.20797949046627	0	0.42583392476934	0.810532760313043	0.180714050775379	3.1078614889066	5.01779649316347	1.06455473154738	9.32036442851815	6.11467535192748
"C6359906"	"6359-90-6"	"C.I. Acid Yellow 34, monosodium salt"	"DSSTox_41646"	0	0	0	0.081532816958826	0.517170045510964	-0.257006486354178	1.27317781765359	1.00903931048981	0.74496056091148	-0.889248181083266	0.141043723554302	0.172662632163822	0.10524624807905	1.14418728357781	1.17851330667386	2.94976007696797	11.4828932855249	11.8684858493169
"C6359984"	"6359-98-4"	"C.I. Acid Yellow 17, disodium salt"	"DSSTox_41719"	0	0	0	1.63739208097648	3.25543698500608	0.752418487997134	2.62442208322002	0.558979504084851	0.732011056100599	0.150715900527506	0	0.00430013743363178	0.138456561607104	2.33635003955915	5.83212609713248	16.1862463703961	6.9177842434116	15.7529279158604
"C63612500"	"63612-50-0"	"Nilutamide"	"DSSTox_34165"	9.18070476704085	7.40011646064664	17.9008002814176	0.149862223439741	0.426125650501546	3.30870542884677	0.913645741231948	-0.141384823509556	0.584053490571937	0.378448445234593	0.280112044817927	0.0952508550457372	0.0852769796442359	0.221542780120437	1.60863483607261	15.7149132848567	30.1068279136224	80.393136591198
"C636215"	"636-21-5"	"2-Methylaniline hydrochloride"	"DSSTox_21364"	0	0	0	2.27175555112162	1.03193146417446	0.594749794913864	3.71082701663084	1.80010544550727	2.98990546386797	0.493421052631579	0.28388928317956	-0.00114092140456938	0.0690395595153285	0.699254741571778	4.62133037988868	3.91451813577333	11.4019388516033	6.2047432838561
"C637070"	"637-07-0"	"Clofibrate"	"DSSTox_20336"	0	0	0	2.46119198906137	1.11787493082457	18.163097199341	0.988760246767515	8.92857142857143	1.73801212566599	0.517464424320828	0.268456375838926	0.695826190718787	0.449833974864648	0.745521040206682	3.87312351260196	2.47959279164207	4.98504365372222	4.39806818936055
"C6381777"	"6381-77-7"	"Sodium erythorbate (1:1)"	"DSSTox_20570"	4.60189891026219	16.2829504938921	10.3040350680004	0.966017751189133	0.594993077124574	5.97548518896833	3.41018251681076	3.04185661002901	0.487346101231192	0.896860986547085	0.411805078929307	3.24607204748986	2.90508232918308	1.34202401018724	21.4918911464068	45.0105348376703	9.5147403488886	6.85276499449576
"C64108"	"64-10-8"	"Urea, phenyl-"	"DSSTox_42507"	0	0	0	0.497958108286129	0.895790099381602	0.098814229249012	0.768721007289596	-0.363130649772079	0.00676864762420394	0.152671755725191	0.259067357512953	0.202184870814285	0.16098313436409	1.2013937415226	5.22057485009891	12.0947310492289	4.35701956074037	6.29301534049755
"C6422862"	"6422-86-2"	"Bis(2-ethylhexyl) terephthalate"	"DSSTox_27625"	0	0	0	1.49706795446706	-0.0157509253668653	0.896746092749165	0.563153660498791	2.6865671641791	0.356898229928982	2.31023102310231	0.132100396301189	0.267578915200744	0.108760044686316	1.60259987477373	5.37724090492855	7.04998061457249	20.7230862571792	6.50195865036222
"C64359815"	"64359-81-5"	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	"DSSTox_32315"	72.2548909116222	98.3322570046339	74.5209719857607	0.950107191580588	5.97531900856187	17.0289090525427	2.37496067945895	1.2	3.19615770014858	2.70700636942675	0.190961171228517	0.860993878208965	1.48110785080189	4.21437839693096	6.50082668661262	39.0072466841753	55.9026301332218	57.5934512776464
"C643798"	"643-79-8"	"1,2-Benzenedicarboxaldehyde"	"DSSTox_32514"	13.2432525924958	13.2132873338806	21.0175315976469	0.949141010375914	0.437048994149285	0.795644891122279	6.88395616746277	1.18383869243107	0.854529674878162	0.493827160493827	8.22454308093995	0.266578453199795	0.23275183889775	7.49513897084455	19.7339408800985	4.28638990136539	72.4581221749344	9.65201528959612
"C644973"	"644-97-3"	"Phenyl phosphorus dichloride"	"DSSTox_27282"	6.33503638766356	10.7458250307131	38.6004683374022	37.443641696996	0.238101467856302	2.98583511668195	8.52279218553639	1.49687545414911	2.43473159284248	6.44922164566345	3.00644237652112	0.545300380272517	0	0.711384404367438	6.22528573427571	2.98017012960187	7.92528898872171	10.7948714525271
"C645567"	"645-56-7"	"4-Propylphenol"	"DSSTox_22100"	4.01117020987607	6.09691820706544	3.06329304001802	45.573397107391	17.1393233903238	148.015523019933	94.5460413080895	106.222100130486	56.0538385443209	1.16472545757072	0.212615166548547	1.92586048274537	0.616496163635194	3.60170154162964	20.2728510550093	39.3197788221643	6.50665277076775	1.67799753098388
"C645625"	"645-62-5"	"2-Ethyl-2-hexenal"	"DSSTox_25296"	0	0	0	3.48448977114066	0.362729539786896	1.05894105894106	0.15416238437821	0.299451006488104	1.0996225176432	0.156494522691706	0.163934426229508	0.444281850783365	0	0.723594033493165	6.65090176115223	9.35244928212131	8.55219367319342	2.60716197160337
"C6459945"	"6459-94-5"	"C.I. Acid Red 114"	"DSSTox_21224"	44.040857643654	75.2098949888367	95.8690303263866	3.82712667386435	1.91000132741405	5.81483159643558	0.357196011311207	10.0766356324023	0.536049316537121	0.447093889716841	0.139664804469274	0.321307913665057	0	0.79539984204947	5.22630929836321	8.16038294967402	28.0313219965005	43.8797906145689
"C64675"	"64-67-5"	"Diethyl sulfate"	"DSSTox_24045"	0	0	0	1.35271807838179	1.27651556783746	8.96270761516766	0.74587107085775	1.76437108708025	0.120790452722616	0.700525394045534	1.00143061516452	0.0328169606341871	0.0357354835433889	1.16757874288085	1.65256421093242	12.2219004155178	5.15222927343653	3.63338600622433
"C64700567"	"64700-56-7"	"Triclopyr-butotyl"	"DSSTox_32579"	0	0	0	1.41450388049737	0.44041634213694	4.96412359056963	2.18094369350692	3.95075686200616	1.65923381623778	0.310077519379845	0.306748466257669	1.20470606400693	0.818259698396475	0.910310261249082	1.31271898333262	16.9321160900269	11.0667164822798	4.58268386106019
"C647427"	"647-42-7"	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	"DSSTox_44572"	0	0	0	3.24895266957839	3.66768342100998	18.5479296653432	9.08824606371292	6.61472412148195	5.02018740001524	81.1865729898517	2.6027397260274	0.831740711186817	0.823964534954953	0.607106837676214	10.7448166788272	8.96964763572776	7.27044788697301	6.08413185602762
"C6485401"	"6485-40-1"	"R-(-)-Carvone"	"DSSTox_41413"	18.3862406596238	10.0430470021944	6.41485310875789	1.24862553451435	1.03203781512605	5.13441511261807	1.16081256879816	9.04486984705763	2.06121604853164	92.4095322153575	0.0608642726719416	0.793952617162776	0.646132114416081	0.94607574242044	4.67197572628549	31.6098191694942	8.74714651512552	10.8896994588357
"C64868"	"64-86-8"	"Colchicine"	"DSSTox_24845"	0	0	0	0	0	0	0	0	0	0.407497962510187	0	0.0797995048944239	0	8.19466978665295	2.40308343438946	0	29.63440069082	48.6793970650109
"C648917139"	"648917-13-9"	"AVE2865"	"DSSTox_47376"	0	0	0	-0.0810938236680814	0.378787878787879	-1.04712041884817	1.80038164772256	1.59852443897941	0.296852490505084	-0.149476831091181	0.254129606099111	0.429967297580938	0.495202863100019	1.03562860595749	2.64913128803962	15.3046125147781	2.96958259870965	1.32830879307381
"C65236"	"65-23-6"	"Pyridoxine"	"DSSTox_23541"	0	0	0	0.708581178756784	0.831870124636596	3.8906414300736	1.7703132092601	-1.95559018309311	-0.00482555614534522	0	0.140056022408964	0.304685600013856	0.774039309623266	1.41159300226581	5.89834165892075	7.26400177447493	1.18927129280602	3.07950202679405
"C65277421"	"65277-42-1"	"Ketoconazole"	"DSSTox_29879"	2.85463501032527	6.16930037917185	32.0178149938181	0.793965110796794	-0.077014962907079	5.27923211169284	1.43532730440554	1.55241315708577	0.46274064696381	71.1509715994021	0.508259212198221	0.466831034558092	0.182366073206095	21.1275170126573	0.714669973589398	33.628547453534	84.3115331493593	109.242028520168
"C654055013"	"654055-01-3"	"Morin hydrate"	"DSSTox_40776"	22.1981723061724	86.2039426819843	18.1873614190687	2.60027889426626	0.458375648450581	5.01600853788688	4.77409914029632	1.83447459633105	0.00377714825306852	0.166666666666667	0.309837335398916	2.8784567079513	2.52881614892418	1.70253033262063	21.9859776165438	100.721334865937	33.1107311680631	8.36764973349643
"C65452"	"65-45-2"	"Salicylamide"	"DSSTox_21726"	0	0	0	1.74552266341214	0.863614143718429	6.45854217385078	1.28218602207041	5.7077041208088	1.46313552394965	1.77619893428064	0.145666423889294	0.18516846741533	0.106331235059773	0.781111692320538	1.30804067568482	11.1164157113213	3.44339721253639	9.8623695737519
"C657841"	"657-84-1"	"Sodium 4-methylbenzenesulfonate"	"DSSTox_42415"	0	0	0	1.99720755175135	0.655180231240081	2.33766233766234	0.702295306611852	1.97970387622692	1.67952294983314	1.72143974960876	1.63934426229508	0.191211357870426	0.0774661070532022	0.897566687737811	6.58107520205858	4.92152747995201	4.51337076435173	5.43975444328119
"C65850"	"65-85-0"	"Benzoic acid"	"DSSTox_20143"	6.82086682573143	4.55676664273133	16.0723933009184	1.58470632624827	0.547733458785578	7.53446617505611	-0.393788542982391	3.43050124422325	1.33924448138912	2.32558139534884	0.212765957446809	0.293361192067187	0.0518905575664354	2.78096087201408	6.31164566765497	28.078493294438	20.9700815956482	10.1319746379471
"C6610293"	"6610-29-3"	"N-Methylhydrazinecarbothioamide"	"DSSTox_44390"	0	0	0	0.835695615359129	4.60480873598	2.1716339673506	5.18807617253213	1.05180120957139	1.26729291204099	0.302571860816944	0.426136363636364	0.328414352509293	0.112202719382826	1.30490920364277	15.3170714442195	11.8201913222891	31.3746695510907	3.79776552412702
"C66215278"	"66215-27-8"	"Cyromazine"	"DSSTox_23999"	0	0	0	4.65877272880612	0.514487165363005	5.44048605357636	2.84350494374361	6.45666077017281	5.55014605647517	1.03397341211226	0.966183574879227	0.389012741105213	1.43979294732302	1.13213824244178	7.65067595005058	19.510283860495	6.13645888398815	9.03251945479793
"C66230044"	"66230-04-4"	"Esfenvalerate"	"DSSTox_32667"	10.4518805795952	11.6877530895281	0	1.32372060040184	0.96819167613343	7.77027027027027	4.87740920414318	7.65979470370051	6.78845286423094	1.4308426073132	0.619195046439629	1.45445697066879	0.492259841213695	2.65750811354794	11.1823843747174	16.2446492099496	3.18052984666338	12.5555489014276
"C6624733"	"6624-73-3"	"Pentane-1,5-diyl dibenzoate"	"DSSTox_47538"	0	0	0	6.01159597192554	1.3411090565501	16.8106467429372	20.5111073993653	21.5320536037668	20.6875437368789	0.775193798449612	1.2	-0.0517786125353715	0.221498310379773	2.44221743814597	22.4662668392483	10.7081698494712	4.96122657166962	6.28379469016781
"C6625463"	"6625-46-3"	"C.I. Acid Violet 12, disodium salt"	"DSSTox_41715"	0	0	0	6.617243989663	2.73023255813953	3.61373817819811	1.84479341363013	2.53445975989329	3.29644174699512	0.147275405007364	0	1.21783975281517	0.57820801064326	1.82416667104442	1.93618669156109	16.4556048759973	10.8436412117621	46.6198664911054
"C66273"	"66-27-3"	"Methyl methanesulfonate"	"DSSTox_20845"	9.75765901294203	12.9631778086324	19.8190289688703	0.67621933473713	0.574424979144321	6.0931899641577	2.3013657285143	3.51390922401171	0.92219768801143	1.50829562594268	0.646830530401035	0.379885121558973	0.192572688015844	0.551013187385154	0.944408803946122	16.1391753095958	7.22069483292327	3.18552040214812
"C66332965"	"66332-96-5"	"Flutolanil"	"DSSTox_24109"	3.84904059522256	2.71690899341793	0	0.541959039306294	-0.0391209917845916	-0.421472937000885	1.26897968165481	0.297176820208024	0.0894492482003659	0.317460317460317	0.41522491349481	0.649028641099559	0.650604414815151	0.0968511881335288	0.730130713288822	9.34480804477918	5.72893461677815	20.5548892627626
"C66357355"	"66357-35-5"	"Ranitidine"	"DSSTox_45191"	0	0	0	0.623045522904682	0.39243493037642	-0.0711406212947594	2.69365243512089	-0.201152052665263	2.32509057652397	0.311284046692607	0.843881856540084	0.301622984221799	0.038158317562273	1.48970595733196	51.6579986074039	12.752578074387	4.42224311971939	9.29109092047177
"C66441234"	"66441-23-4"	"Fenoxaprop-ethyl"	"DSSTox_32392"	0	0	0	2.24777343197776	0.548838609341293	3.14073363701751	3.21471548908372	12.7157652474108	2.06762569961608	1.49476831091181	1.11576011157601	0.169371106775637	0.145012431476822	3.12869745706448	44.6474351371822	29.5816360761325	38.3046527557409	8.79222914608599
"C66456539"	"66456-53-9"	"Adipic acid, polypropyleneglycol, laurate"	"DSSTox_47527"	0	0	0	1.36530136530137	0.399411976811915	-0.915264245645105	0.120192307692308	-1.08871560982786	2.12284830864368	5.83596214511041	0.415512465373961	0.336684835204765	0.11241153492472	8.65109622445332	2.03795191410499	10.7202621552391	15.5555680220252	7.31306859706684
"C66575299"	"66575-29-9"	"Forskolin"	"DSSTox_40484"	0	0	0	0.737089626480962	3.07265126781192	3.77636096125552	4.95591365156583	3.17216679457662	4.47035036173507	0.947119179163378	0.280504908835905	1.54605456782807	0.817431752869654	2.83360739892411	3.87375031382928	51.1445456012268	5.27260263979384	58.5778484806602
"C66717"	"66-71-7"	"1,10-Phenanthroline"	"DSSTox_25857"	4.35141280071898	9.20780049474228	36.91327422379	2.34847008380433	1.29702658529637	3.94598016459169	0.707769738911606	1.57575757575757	4.52299505891296	0	0.190961171228517	0.330427400992075	0.156629851698168	5.85663786259208	3.5155568853597	16.7121856638718	52.832678561125	74.3939129259975
"C66819"	"66-81-9"	"Cycloheximide"	"DSSTox_24882"	7.8171021937369	97.4730679968132	52.6080716963449	-0.091459791415754	-1.21197322211057	-5.10708401976936	-5.06240178661279	-2.42652867294168	-2.22431196506776	0	0.226955065664743	0	0.0436786267382481	6.33617575308809	1.70379369848683	5.9567847687107	63.1758376219164	91.9949873413193
"C6683198"	"6683-19-8"	"Irganox 1010"	"DSSTox_27633"	4.06923890851105	8.14439917896996	21.7687167971959	3.16314414628354	1.07891684232846	1.29232359782889	-0.205595780817019	4.79011509817197	1.68785620341955	0.300075018754689	0.937081659973226	1.43867343493786	2.65937210594716	49.7403466266212	83.8737658818293	95.5364295373605	11.4771594837525	7.18282523955864
"C668981020"	"668981-02-0"	"CP-863187"	"DSSTox_47294"	12.4393359364543	64.3755241368721	10.2987898475708	5.87904557753804	-0.851375912757884	1.699637782112	-4.46330347320446	0.816029732568474	-2.25585244738709	0.818330605564648	0.301204819277108	0.765534746362977	0.137503523749935	1.11925485955045	2.06884667413293	14.9045874119674	36.933003841052	43.3657503861536
"C6706598"	"6706-59-8"	"L-Glucitol"	"DSSTox_42096"	0	0	0	0.640872224438239	0.0990998430919149	-1.52905198776758	-0.634026065516027	1.01485148514852	0.701392813216767	5.6140350877193	0.152671755725191	1.8231848789042	2.70739381933768	0.471433579309414	1.6701450658948	23.890198766503	6.58417414590086	8.93399429035104
"C67209"	"67-20-9"	"Nitrofurantoin"	"DSSTox_20972"	16.0154308610366	7.2036552885137	25.4483144495734	0.491392278121343	0.238624476987448	12.7727514635444	0.769707157391845	2.21879815100154	0.593231189449873	0	0.132275132275132	1.66475790788268	1.71312543834171	1.58076699684852	2.77049219969961	27.1164716792051	84.1188744594318	16.6848758580072
"C6728263"	"6728-26-3"	"(2E)-2-Hexenal"	"DSSTox_41425"	0	0	0	0.93634775858723	1.22582643713767	-0.704902274911888	2.02752519046449	5.42570951585976	1.23850489469	2.27642276422764	0.28388928317956	0.255753741108833	0.133233289425211	0.470285322630682	1.54611670495556	14.2226168058355	2.07479642836868	1.51815315395821
"C67301"	"67-30-1"	"Tetrac"	"DSSTox_48186"	10.8732853081615	21.425913103687	33.4272955623779	2.00445434298441	3.88515440493742	3.38810873161968	2.28144649379372	1.97876301880212	1.41384961528846	63.3535660091047	65.9329908617241	0.377938703644197	0.413310224811128	0.497616235572137	28.3920504238784	1.02637747033227	100.595329527718	10.0269159086727
"C6734801"	"6734-80-1"	"Metam-sodium hydrate"	"DSSTox_40361"	0	0	0	0.186870818011936	2.40047514559583	11.1942446043165	1.936365707343	1.75438596491228	2.76980954620268	0	0.28388928317956	0.250402138729295	0.26275910862069	2.47348918589119	1.10279252245912	12.3617830516879	9.33216637755337	4.77202678522668
"C67485294"	"67485-29-4"	"Hydramethylnon"	"DSSTox_23868"	14.2909087020223	39.9450275960004	8.12542384980547	-0.272986350682465	0.9366081119106	-1.63355408388521	14.7479189571227	2.14610882289182	0.707472178060412	19.9240986717268	10.9550561797753	2.75936873086034	2.99941850259556	61.5585531605381	83.8297162690664	53.1114253953158	67.7470670477261	110.365187611426
"C67564914"	"67564-91-4"	"(2R,6S)-Fenpropimorph"	"DSSTox_34601"	0	0	0	5.47390952517685	0.183720930232558	1.04529616724739	8.96478121664888	10.1645175633615	0.908405728112976	1.620029455081	2.32558139534884	1.5355800507391	0.277041263827672	2.23105860345541	3.13847871802178	14.0502342142626	7.63954327395007	35.7415432111271
"C676116044"	"676116-04-4"	"PD 0343701"	"DSSTox_47271"	5.64228376057917	31.3516530243436	0	2.32726554527799	0.402012440976724	5.20984081041968	0.839951130116065	2.93658231802562	1.61425996394953	56.9377990430622	29.676511954993	0.84799690655495	0.485426827170242	1.00877106820227	1.35978385899276	4.95724182176281	75.6976981055205	110.864437304014
"C67685"	"67-68-5"	"Dimethyl sulfoxide"	"DSSTox_21735"	8.96789713336578	5.13645912910617	22.3034267409621	0.46925288062305	-0.0953555622350516	0.823294912904062	0.58813045802887	1.34961832061069	-0.0733822548365578	0.155038759689922	0	0.111239526188025	0.0917393235279313	1.06138281049428	2.29668217155029	11.6996271241671	8.35656316225108	3.15722038746033
"C67747095"	"67747-09-5"	"Prochloraz"	"DSSTox_24270"	7.21719915084881	5.00353142242802	10.7199345514044	1.04240461491752	0.166354522419302	-0.524716929025132	-0.0750085236958754	4.32031568920941	0.331061343719571	1.47710487444609	0.82815734989648	0.495516573191707	0.391727435840144	1.72010463314774	3.08417061953995	5.33796506470754	27.1583362460678	40.7278614333782
"C67786145"	"67786-14-5"	"Acid Red 337"	"DSSTox_44713"	0	0	0	0.331670884210009	0.399042298483639	1.91524395528209	0.813877502524803	-0.494656488549617	0.633755837224817	0.155038759689922	0.433839479392625	0.439800201767697	0.579519829061911	0.597134695307282	2.16367058270391	5.82626035168825	4.14974384390724	16.5246453003576
"C678397"	"678-39-7"	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	"DSSTox_29904"	5.62981746774181	13.2263424822724	18.4460191502445	6.82932964406993	3.76692765213885	15.3574863738378	7.51170220670184	13.2420902950587	6.02198208183246	29.2358803986711	2.90780141843972	1.13665282905858	1.17605872734849	1.15577712087127	6.28258883762442	11.2247142947581	4.61637647077842	9.81099973586825
"C6789884"	"6789-88-4"	"Hexyl benzoate"	"DSSTox_25403"	0	0	0	3.05659521379154	1.42045891749642	14.7022074135777	2.17218120983589	7.46654144165297	2.35870358147775	0.673400673400673	9.94550408719346	0.37770134800587	0.137432666205123	1.15669942614183	4.84456544239479	21.726953576815	2.4475330191086	13.0817962995404
"C68111"	"68-11-1"	"Thioglycolic acid"	"DSSTox_26141"	0	0	0	1.16210254478937	0.324426355217366	3.60320284697509	0.621761658031089	-0.196432780702443	0.399787723332744	0.160771704180064	0.433526011560694	2.44543674958302	3.0574144866869	0.396173381126826	8.82196217891178	3.70031275317901	7.67905841878598	5.96222879004297
"C68122"	"68-12-2"	"N,N-Dimethylformamide"	"DSSTox_20515"	0	16.9387788577104	0	0.44236913246498	0.47701445073189	3.81414701803051	1.27800114876508	-1.09998358233459	-0.652550273005727	0.591715976331361	0.13986013986014	0.180759779386596	0.140208075179536	2.27752586063749	3.00745801628567	10.2937067424931	3.32026853732758	8.77953776918936
"C68157608"	"68157-60-8"	"Forchlorfenuron"	"DSSTox_34634"	0	0	0	0	1.55393785481376	10.0470035252644	0.0648824006488241	3.56750421214563	1.14273696017947	3.7037037037037	1.44717800289436	0.344245226978703	0.210889808729298	5.65853761263694	6.02440770280319	7.28793578627846	89.3940379728029	99.565882483057
"C68169039"	"68169-03-9"	"2-(Dihydrocyclopentadienyloxy)ethyl methacrylate"	"DSSTox_41302"	0	0	0	6.32911392405063	0.552827661985372	16.3737280296022	23.1719558335264	7.42683133141601	14.2077369807369	0.148038490007402	1.52671755725191	0.932040084826235	0.431328792389425	1.18575729599668	3.78469088012114	2.95867784010061	3.32136593036064	3.63028190334166
"C682019"	"682-01-9"	"Tetrapropyl orthosilicate"	"DSSTox_42382"	0	0	0	3.5568704799474	0.685750408839172	64.1247833622184	2.47573498382332	1.55402072027627	1.9393210794394	0.458365164247517	0.564971751412429	0.425275628723867	-0.0189889901767459	1.29197675613926	5.76503299742131	10.067626863925	4.53850015276399	7.9406187694813
"C68224"	"68-22-4"	"Norethindrone"	"DSSTox_23380"	98.8903001277883	94.9240632903947	75.3432512503584	64.3923240938166	74.7588088316596	88.5836693548387	79.3847931258574	55.5014906902177	54.6292558202126	103.562551781276	89.7305171158048	3.62643606739788	3.46880687987784	94.8364939407551	99.3735398999935	100.199394278033	1.25383974648863	20.6399065329802
"C68268"	"68-26-8"	"Retinol"	"DSSTox_23556"	0	11.0912639670165	0	1.62357866153759	0.510694544580629	12.2718337545633	3.14552902078986	12.4295404604949	4.4233451829186	1.46341463414634	1.1887072808321	2.88584229208424	1.32524421315699	1.62529453562093	1.0731303925422	15.9199908809154	18.8662228228354	19.5482003088292
"C683181"	"683-18-1"	"Dibutyltin dichloride"	"DSSTox_27292"	9.2821282097905	18.6366381487391	23.0186147433335	1.09452552040892	-0.721711111435112	-2.98378378378378	-4.67496220490755	-1.2424985208351	-2.21534513341133	125.038639876352	89.1788181120491	2.92085919515521	1.22143994730793	39.6636755367982	13.4120544104521	3.21841609492686	121.381427475058	107.507474122417
"C68359375"	"68359-37-5"	"Cyfluthrin"	"DSSTox_35957"	5.07031055913697	10.7582975218172	0	2.56637168141593	0.51657272056399	11.72046380445	2.50399573787959	2.82678808575223	3.38696429434218	3.1523642732049	1.00143061516452	0.614727289219277	0.343558110858898	0.957203665351217	2.74593067221083	5.79066472392955	12.7693096579161	21.0727282745146
"C68392358"	"68392-35-8"	"4-Hydroxytamoxifen"	"DSSTox_37094"	98.0526654328893	100.535194996614	98.6261806260245	154.571261916872	334.081561332294	239.889286877239	382.297471067295	180.44090595639	210.592735907133	108.427389014296	119.193548387097	0	0	6.94761235586081	7.29342431630233	13.7378651967256	111.957752794361	99.0336279734936
"C6846500"	"6846-50-0"	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	"DSSTox_27635"	7.58534293767616	7.53858697671775	22.1132278613512	2.59467959638318	0.43582995669549	14.219384793964	0.916019858751136	8.23508395855663	0.891003460207614	5.40540540540541	0.395778364116095	3.40924339532582	1.5233512154542	89.8592355896299	102.384950765104	10.2759051792349	2.27993926943635	3.21380059449177
"C684935"	"684-93-5"	"N-Nitroso-N-methylurea"	"DSSTox_21006"	0	0	0	7.99415951816025	0.777925570200441	6.56473728916394	23.3938205002452	0.577973938629676	1.03785707225462	-0.164473684210526	27.1567891972993	0.473003291209477	0.227100960244737	0.629601713374509	1.54666576247838	27.0166360596712	1.49797429602429	4.92534854416053
"C68515480"	"68515-48-0"	"DINP branched"	"DSSTox_28665"	0	0	0	5.07170860006947	10.4107288273616	2.112	10.7469600463231	4.39864270453689	1.17486500919718	0.625	0.167224080267559	0.113929102180527	0.105182236692056	0.494503968143808	2.21892114754449	19.060865586799	13.9665564265074	5.43842158777064
"C68515491"	"68515-49-1"	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	"DSSTox_28666"	3.9658507079276	7.41356528435293	22.2342831298055	2.14852198990627	0.163223667431777	0.358637178720861	0.52973116143557	0.124677915385252	-0.299755462648892	0.948616600790514	0	0.369034265126871	0.184384224871823	2.25787841276376	2.10746380761737	7.41180269402502	17.1784644487854	1.41704657076491
"C68515753"	"68515-75-3"	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	"DSSTox_47517"	0	0	0	1.09551048708615	0.79303207075459	2.53988928687724	2.80040005715102	0.760820919378556	1.5290716350787	0.296956198960653	0.32258064516129	0.668415346775538	0.260999426232025	0.494346967893728	2.09431431387186	6.66346375888768	13.9167194285383	18.7166295385567
"C68555862"	"68555-86-2"	"Acid Orange 156"	"DSSTox_44718"	0	0	0	0.479112016823118	1.4083612518061	3.14550042052145	3.8001514004542	0.065817028660325	0.857867030610255	0.14792899408284	0.397350993377483	1.00229657009014	0.732507006157434	1.75616698068761	7.60738874178587	5.72292047823121	2.89687225493932	12.2618954292837
"C68609972"	"68609-97-2"	"C12-14-Alkyl glycidyl ether"	"DSSTox_28774"	0	0	0	5.15892827425528	2.93616344340159	9.28529584065612	13.5100652112277	5.52730696798493	13.3852109646893	0.311526479750779	0.536912751677852	0.660280910036292	0.130653773251621	0.49071137822607	2.58365404124677	6.41525659282576	8.92988899064609	11.7623972013398
"C68694111"	"68694-11-1"	"Triflumizole"	"DSSTox_32500"	0	0	0	4.82875983833227	0.639944930901115	8.72075357034336	6.26046734189329	12.6745240253853	5.99864692174697	0.558659217877095	0.998573466476462	0.45725361927429	0.56771734286285	13.4557382999736	2.50876328715584	8.64998637916042	74.0936013662968	87.9247476006807
"C68917180"	"68917-18-0"	"Cornmint oil"	"DSSTox_47712"	0	0	0	0.859380579427238	0.970587841546515	1.83101698654313	4.63670640986447	3.98999026831642	2.82659496142642	0.524475524475524	0.589535740604274	1.75829179774624	0.318901309636198	1.40650757049081	18.5711950217753	2.54973365926619	4.56222986806234	7.93273791912798
"C6893023"	"6893-02-3"	"3,5,3'-Triiodothyronine"	"DSSTox_23216"	12.5917722392426	81.9768045698459	60.1800167457438	8.36587521021577	6.68783092275417	26.1329519809108	17.317252752119	2.87298014631119	2.09951296564433	1.07361963190184	4.87636828935985	2.24124056397889	2.88795142753722	1.03809886191828	23.8537292695405	131.522197136705	11.6866317415113	14.929199831894
"C68959206"	"68959-20-6"	"Disiquonium chloride "	"DSSTox_35589"	12.0847073371805	30.7992535036876	7.57567780994999	3.88981383381262	2.76470319426039	8.98365076689702	22.9743308669042	8.52191641182467	13.176300345687	58.6894586894587	86.8421052631579	0.442093475720032	0.132516757809162	20.5767951258048	14.7532669027198	4.41167020503868	7.6513052248999	6.18135774974446
"C68962"	"68-96-2"	"17alpha-Hydroxyprogesterone"	"DSSTox_40747"	11.3983893212676	96.6270745542381	-9.31689049586777	2.31202046035806	0.469285674141516	5.34635053463505	3.66453549081931	1.60751429143822	2.59018937394272	1.37795275590551	0.361634856533813	4.41955007548733	3.66862667695631	0.537692135391909	11.1345512973851	133.136915777341	3.67976370843088	23.4667286444141
"C69090"	"69-09-0"	"Chlorpromazine hydrochloride"	"DSSTox_24827"	2.39783055278884	9.06678824238245	49.4348038616644	0.748195373834237	0.348672313076513	4.55775234131113	4.32849095760451	2.98946336682186	1.04166666666667	1.93704600484262	0.710227272727273	0.345899680414577	0.0959225902829716	3.02515883640645	4.18690635134684	0.22578215357288	81.5203911289195	47.8650474528198
"C6915157"	"6915-15-7"	"Malic acid"	"DSSTox_27640"	0	0	0	0.568900126422249	1.03157531127824	1.31620181761203	1.58053631681761	2.54221210396509	0.468666956563753	1.40105078809107	0.143061516452074	0.066725658269557	0	1.38658766063892	2.59155927289161	10.2576746061081	5.50160511019164	3.30389252755454
"C6923224"	"6923-22-4"	"Monocrotophos"	"DSSTox_34816"	2.92930662545214	2.94587632252921	0	1.92030192030192	0.549191468116384	4.81251845290819	1.81790865384615	-2.05973223480947	1.02450505330195	5.04731861198738	0.415512465373961	0.475564130444322	0.177476446889366	3.98486408240808	4.93931708352548	9.65137153383477	4.95536809039169	8.37355190707045
"C692864"	"692-86-4"	"Ethyl undec-10-enoate"	"DSSTox_44828"	0	0	0	1.2491781722551	1.55152747811508	3.33622183708839	-0.126600084400056	0.752343364578195	0.0664367743364229	0.152788388082506	0.141242937853107	0.50279837843212	0.367593489346918	0.891302112833649	2.69779837848614	11.6347271926123	2.7004497356821	4.06982536409049
"C69327760"	"69327-76-0"	"Buprofezin"	"DSSTox_34401"	0	0	16.032667679618	-0.262144671090358	1.52457559743722	12.9680998613037	2.26881102814474	40.0591035954687	2.71673991210547	0.14792899408284	5.87412587412587	0.657407951001207	0.533990194689026	1.61657208569429	6.68127623544013	21.2147917002641	74.0302888911522	51.1829583840575
"C69377817"	"69377-81-7"	"Fluroxypyr"	"DSSTox_34627"	0	0	0	2.44237300382976	1.21569349788175	2.62151829601311	3.47813106433796	2.22614840989399	3.59984842743463	1.4308426073132	0.591715976331361	0.270861651954772	0.180867036090141	0.918270109688307	3.57968250536143	12.0258855379449	12.1748981565991	13.6310945719974
"C695067"	"695-06-7"	"gamma-Caprolactone"	"DSSTox_41298"	0	0	0	0.891533563002401	0.203660226854864	-0.810263335584065	1.50805270863836	0.51150895140665	1.06635394223689	0.143884892086331	0.145878920495988	0.168249485712646	0.095720617848026	2.80897761715083	44.7679704930109	36.2828062888965	4.74020022108374	6.83283130223579
"C69655056"	"69655-05-6"	"2',3'-Dideoxyinosine"	"DSSTox_22927"	0	0	0	2.54226182675927	0.781152094907891	2.14741729541498	1.51737640724425	1.42908181493391	-0.397923875432524	1.4308426073132	0.395778364116095	0.0872465629363512	0.0275810910404385	3.16940262246597	27.186181168075	15.9011110319316	6.27339765868349	8.29775890832685
"C69658"	"69-65-8"	"D-Mannitol"	"DSSTox_23235"	0	0	0	0.845979130320287	0.861115406115823	9.65991316931983	2.36713500305437	2.24929709465792	1.67834968956539	0.478468899521531	0.140646976090014	0.405862079015283	0.161827665478027	1.08603120077997	4.56112418491142	2.66036683783121	4.88136876220197	10.5813915195226
"C69727"	"69-72-7"	"Salicylic acid"	"DSSTox_26368"	0	0	0	2.59718618325517	-0.121825508387218	5.51511140525039	0.866197900743911	1.37633810649242	1.51413297480713	1.04895104895105	0.294767870302137	0.304645082204235	0.195611645105958	0.428210016386621	2.57243515831296	6.15137747923577	3.92578213666927	4.08169259146363
"C69749"	"69-74-9"	"Cytarabine hydrochloride"	"DSSTox_24891"	14.3220585645961	29.8545594292797	21.066722662607	2.16667290349137	1.28095506977495	9.34404283801874	0.476758045292015	6.94731049662952	1.01733232856066	24.0887480190174	2.96819787985866	1.94732945850831	2.75684981392466	2.91627430126409	57.2164963120532	6.31638949300661	6.14968257979709	13.7520489176132
"C69806402"	"69806-40-2"	"Haloxyfop-methyl"	"DSSTox_24123"	4.55035724100028	4.25915624383154	97.9968412740195	0.382085812715314	0.924956863632507	1.45172180958811	5.0805270863836	0.805626598465472	0.51544985954673	0.143884892086331	0	0.385712892303644	0.113426061334355	0.384766866907372	1.21859778499964	24.3092764898382	40.8626005992097	7.46190665667272
"C69806504"	"69806-50-4"	"Fluazifop-butyl"	"DSSTox_34612"	6.06434816861673	10.0230143005405	0	2.52925186148209	0.462150160074357	8.2002457002457	1.2324636161007	6.83170878978694	2.01473462637197	8.58505564387917	0.773993808049536	0.335402143541938	0.386516562391364	0.766988021164082	2.98320086776854	35.9300260267463	22.6969349115401	25.8900388743188
"C7011838"	"7011-83-8"	"2(3H)-Furanone, 5-hexyldihydro-5-methyl-"	"DSSTox_41299"	0	0	0	0.727592918713505	-0.198860263564051	-0.282828282828283	-1.56392221762516	-1.05997931747673	-0.145249740625463	0.302571860816944	0.284090909090909	0.526291123870952	0.213642718700098	1.39966513505331	4.32226683151645	8.9715878996808	5.35868267131126	15.0042081576459
"C70553"	"70-55-3"	"4-Toluenesulfonamide"	"DSSTox_29105"	0	0	0	2.01289935503225	0.0415376988114857	0.956585724797648	1.39783257421077	2.96986776501192	1.05723370429253	0.189753320683112	0	0.26750986490091	0.149724211038177	0.887749803476014	1.43690131838953	32.7487049863036	6.01154499665924	11.5460907360812
"C705602"	"705-60-2"	"(2-Nitro-1-propenyl)benzene"	"DSSTox_41188"	12.0437680940805	7.40809154522933	17.8409491662048	-0.537849217813566	0.181473565350648	-0.507820434694292	-0.549261929282526	0.509573810994441	-0.263181240204629	121.434200157604	97.5280898876404	1.0220992590646	0.0959469622846624	4.02313263716809	6.3111872940507	0.917504007890225	121.526261253287	33.3389243640904
"C70568604"	"70568-60-4"	"4-Butylcyclohexanol"	"DSSTox_48204"	0	0	0	2.82091778538212	0.443247489199349	14.5388907121759	2.08715596330275	1.75829618623081	6.52301377895045	0.501672240802676	0.428265524625268	1.06301345540513	0.567197526808773	0.913707507107167	6.88306534217026	8.6798275768508	2.78908977455535	7.38245186306351
"C706149"	"706-14-9"	"gamma-Decanolactone"	"DSSTox_22109"	0	0	0	1.29257477120483	1.71415707210394	3.12803574897999	1.41057934508816	0.915245737211634	2.02053442148216	6.98027314112291	0.255754475703325	0.351119026907005	0.257585861302044	2.99465414692664	5.59745074829037	11.2992380065809	4.83051058365447	12.1481956630443
"C7080504"	"7080-50-4"	"Chloramine-T trihydrate"	"DSSTox_40795"	0	0	0	2.54539235527178	7.05635538190012	4.67861827721907	2.97055793785784	9.81752126166295	5.2275291462956	0	0.297176820208024	0.366519562989498	0.274541821822066	3.1790718293194	35.902759868825	16.1869785246512	7.17254224785259	7.20671811557199
"C709988"	"709-98-8"	"Propanil"	"DSSTox_22111"	7.07898779173407	5.66269010020563	0	0.888500847414103	0.119969808922258	6.19559651817716	2.24100203727458	1.59590043923865	1.56297354634801	0.301659125188537	0.517464424320828	0.309377140219105	0.403013243386661	1.34311544768629	3.28028395226444	10.9801165589409	5.71643670510303	43.8397278162808
"C71238"	"71-23-8"	"1-Propanol"	"DSSTox_21739"	0	0	0	0.515733913533986	1.12162335716426	0.390824129141885	0.339030936572963	6.12306303595607	1.37416075798456	0.139082058414465	0.154918667699458	0.23827362082491	0.146111254756957	1.9237010952603	1.80829019959514	19.7274259726921	3.51467354387747	6.69629523785131
"C712505"	"712-50-5"	"Cyclohexylphenylketone"	"DSSTox_48182"	7.99258897094775	10.8820740431828	13.6666971386781	27.304753398829	0.641817261593707	90.0035829451809	15.1074245308676	60.0030613806827	6.02205803619231	0.609456198960654	0.148588410104012	2.10009261402873	2.42616655317228	1.54165184915954	2.59951404744503	34.8445630886434	6.87918751939068	1.92840915905151
"C71283802"	"71283-80-2"	"Fenoxaprop-P-ethyl"	"DSSTox_34598"	3.87738250877314	12.0203549021883	29.7728211482858	-0.14308595835558	0.515162158997776	0.945683802133852	7.88841677443192	2.34277123527938	4.46196358907672	6.59536541889483	0.509229789942712	0.209188811130772	0.0173072541325779	1.35375898297794	3.87717421257307	23.5492070038985	59.6857753436623	7.41558791620467
"C71526073"	"71526-07-3"	"MON-4660"	"DSSTox_44575"	0	0	0	0.865665711123094	0.54524260162194	2.59200916511528	1.62900683131897	5.4261581776299	2.05165931011934	0.710479573712256	0.145666423889294	0.0460495127541824	0	0.721286862363202	0.533834719786658	4.89347180632629	10.7497426081181	21.443672253299
"C7173515"	"7173-51-5"	"Didecyldimethylammonium chloride"	"DSSTox_32537"	10.2869867101773	89.0539400555776	60.9164842039412	1.93266198759028	-0.251965943957897	-0.0466962409526034	1.77050275597127	1.97392249185078	-0.647305808257521	85.2713178294574	104	0.433094302196487	0.220379639015515	6.40198900425999	2.6057743212232	26.1165986890915	10.110600015288	107.745644630419
"C71751412"	"71751-41-2"	"Abamectin"	"DSSTox_23892"	9.72368466124451	4.08966149787363	0	1.44920153834399	0.379578667678877	6.16363237552095	0.41681768756796	6.39775169449496	0.646435625785599	5.51971326164875	5.63961485557084	0.314601547982089	0.169466901212734	8.15425781669081	2.34664222131715	0	79.3000184666892	103.076725130618
"C717748"	"717-74-8"	"1,3,5-Triisopropylbenzene"	"DSSTox_41232"	0	0	0	1.47356392982122	1.70421837557064	11.3390690491948	4.03546316111281	5.07437786737106	1.87906142962323	0.524475524475524	0.294767870302137	1.48987192641764	0.681038472276201	1.45637331965773	2.94797086033844	0.636964151542658	8.81510134082232	3.79802013306724
"C7212444"	"7212-44-4"	"Nerolidol"	"DSSTox_22247"	0	0	0	1.8231161497888	0.214898093062185	6.88564110290794	0.048748781280468	16.3987138263666	1.05599501227448	8.75912408759124	3.80952380952381	1.14557447186455	1.01815471339407	0.563617979990258	9.9671126800236	2.86580754106132	4.15662975091213	4.77980382232834
"C72178020"	"72178-02-0"	"Fomesafen"	"DSSTox_24112"	0	0	0	-0.563017775275476	0.693381946026889	10.502471169687	3.15220147046396	1.08225108225108	1.51754547124747	1.16429495472186	0.134228187919463	0.190491399556416	0.593623360503013	1.36890277027084	6.04292813772417	3.94156279183563	12.9035610759399	7.04103454989024
"C72208"	"72-20-8"	"Endrin"	"DSSTox_20561"	2.38304594123506	5.5836762047756	15.0433826225101	1.31822863027806	0.754345082941117	8.91755468311834	9.95938261575955	17.6650563607085	16.1053798277773	13.5356849876948	0.954328561690525	1.24858950391249	1.38928775344571	1.53733994298201	24.4195028684013	41.8772732756441	4.7671337311196	26.4948220783679
"C72333"	"72-33-3"	"Mestranol"	"DSSTox_20814"	86.620169595088	103.74062768984	15.8140882377287	250.999868265051	156.623528307593	165.349143610013	154.937044400265	114.540678358959	85.6707729795587	116.030534351145	103.756476683938	4.16282087250075	3.93494081023599	103.372742013022	111.090626796187	142.359625463414	7.11395933068146	13.1176118769624
"C72435"	"72-43-5"	"Methoxychlor"	"DSSTox_20827"	9.89924051989662	60.5407475414987	5.47415259040925	99.8593700749218	38.7676159884181	176.284584980237	101.543711407215	93.9288537549407	61.7814495973341	95.6738768718802	101.428571428571	2.91456008921448	3.21413418114312	15.4243207926599	55.704503510506	72.901140673548	72.9816949050305	10.9758177248438
"C72490018"	"72490-01-8"	"Fenoxycarb"	"DSSTox_32393"	0	0	0	4.81009148877183	0.102356939118093	12.2000505178075	1.39319907560251	12.5994215473608	1.07177655082819	1.56521739130435	0.753012048192771	1.91965197727489	0.698710718681127	10.0063125620512	12.9462547083747	2.84566756312913	40.6862544074575	90.3517746735232
"C725228455"	"725228-45-5"	"AVE5638"	"DSSTox_47371"	2.93976377952756	14.3284861444707	34.8629606896	0.250085813759624	3.77951577292969	5.9244126659857	27.1853986551393	0.886862826357233	11.3457592339261	2.54110612855007	0.823610157858614	2.58515903979113	0.70853385962477	4.39030549136691	1.59901834536182	3.11106628033396	115.3179262276	49.0591917106118
"C72548"	"72-54-8"	"p,p'-DDD"	"DSSTox_20373"	0	11.2384935676009	0	2.19832171138163	0.717752762573583	35.8415233415233	3.25160613609545	24.1352540326059	7.12674785746504	48.8076311605723	23.2198142414861	4.42580784227554	3.10893437155316	2.47866193935842	26.2535518952993	8.74699826601881	18.1892813215906	29.4900647381898
"C72559"	"72-55-9"	"p,p'-DDE"	"DSSTox_20374"	6.88911118210528	3.949167785731	13.8675128917096	36.9551522423879	3.59166221272047	116.129506990434	48.5995497617926	62.5855124352663	37.9809220985692	34.1555977229602	7.4438202247191	3.01507380242424	2.45845168510378	3.12833220367489	21.9280730140892	8.79574128091648	5.59146719534435	8.77147795162192
"C7287196"	"7287-19-6"	"Prometryn"	"DSSTox_24272"	3.90921392810675	5.37979239718553	0	1.54774696508996	0.912071207487042	2.81523539153064	3.48004094165814	1.78150765606596	3.43878954607978	0.139275766016713	-0.13869625520111	0.285778766654147	0.371686967374702	1.84481031982818	4.24960502896242	3.2848145252412	19.5989150017174	21.8130675979719
"C732116"	"732-11-6"	"Phosmet"	"DSSTox_24261"	0	0	0	4.69636605094772	0.100179734229058	-0.909357582868874	-0.0347487664187914	0.227511375568777	0.535390199637024	1.3136288998358	0.487465181058496	0.375466614717867	0.0605313390358998	1.53447840961013	19.4527449892538	8.2196186528415	5.40722581830675	7.7827462999156
"C73223"	"73-22-3"	"l-Tryptophan"	"DSSTox_21419"	0	0	0	0.26811765633625	0.407772237097448	1.37566137566138	0.00732976618045804	1.87732502811662	1.60949868073879	-0.462249614791988	0	0.330226801313784	0.136336858728886	1.97659684142179	1.71291146842482	6.6738568165977	3.56402403891916	6.51500335095631
"C732263"	"732-26-3"	"2,4,6-Tris(tert-butyl)phenol"	"DSSTox_21311"	0	0	0	4.79371776840131	0.25668197338985	43.4447300771208	2.96164869660161	24.4223559159473	5.3264747365801	2.24137931034483	6.92090395480226	0.582598346831567	0.30578121972792	0.840252462021581	1.05611113599654	34.246351610985	2.03403286373188	10.7532766578152
"C73314"	"73-31-4"	"Melatonin"	"DSSTox_22421"	0	0	0	0.624039070272226	5.80660909895341	4.757233938205	12.9826695044086	2.85239191609107	2.49265472467065	0.315706393054459	0.420757363253857	1.12782879091818	0.223330352916271	1.37120491368031	23.3609385844053	24.7354317385224	2.17379947799285	7.47290042136537
"C7378996"	"7378-99-6"	"N,N-Dimethyloctylamine"	"DSSTox_36299"	0	0	0	0.1998001998002	0.388317199678251	1.86005314437556	-0.646033653846153	-0.529645431808148	-0.221514606119341	8.3596214511041	0.831024930747922	0.523724871199291	0.387301705580791	2.58337421430669	13.0345491860956	17.3566200274496	2.8814409915053	2.983049580516
"C7398698"	"7398-69-8"	"Dimethyldiallylammonium chloride"	"DSSTox_27650"	0	0	0	6.2758890191481	11.7730892832192	0.243745991019883	13.8283378746594	0.257430376784461	0.0718808831079929	1.74216027874564	0.158730158730159	0.396327349282791	-0.060986405250637	0.660419415784043	1.07075203269997	14.8604303782419	10.8065486633293	4.47271568590499
"C74051802"	"74051-80-2"	"Sethoxydim"	"DSSTox_24304"	0	0	16.4908214917363	1.3024225058609	0.542311325963462	8.00608828006089	0.282663316582915	0.464508636957466	2.0108275328693	6.88321732405259	1.24740124740125	0.221252530167458	0.148793332947983	2.09103628535709	2.40158443390583	11.0185321326138	10.216824283449	8.349501441324
"C74115245"	"74115-24-5"	"Clofentezine"	"DSSTox_23881"	0	0	0	0.684888861216612	-0.0245101572975388	6.72463768115942	0.136695018226001	1.16005516346232	2.01273008773439	1.07719928186715	0.458365164247517	0.331694157690092	0.398546217676423	1.56099509418577	23.1258625052893	13.5506897847145	2.11572584848421	1.90936036063582
"C741582"	"741-58-2"	"Bensulide"	"DSSTox_32329"	11.4792999572727	4.63264047946495	0	2.29866117404737	0.634607768188559	8.80538418395962	3.54183590576767	22.3832528180354	4.7489129508057	5.82444626743232	4.77164280845262	0.635898688274895	0.195468200450343	2.7616250684599	3.09241343883791	0.166212737825675	43.7762817911784	52.384498102217
"C742693385"	"742693-38-5"	"SSR504734"	"DSSTox_47348"	0	0	0	0.184788543110327	0.350136618727401	3.26797385620916	12.0114466450787	5.2427762883527	6.37323802256938	3.51906158357771	0.553250345781466	0.755032300180443	0.509033839867452	3.43259023963193	17.6621446912302	4.85786982398738	37.8866776188864	53.2546582222681
"C744456"	"744-45-6"	"Diphenyl isophthalate"	"DSSTox_37752"	4.8299415721709	5.40578960971827	23.7129300118624	0.806478159254748	3.48965828942517	9.40665701881332	11.4080635308491	2.1399562636676	12.8620068095333	3.82775119617225	0.70323488045007	1.17067749691679	1.81525646864252	0.814868650580713	83.2401058961856	18.8329401999362	4.38978618899316	0.791841178523274
"C7487947"	"7487-94-7"	"Mercuric chloride"	"DSSTox_20811"	9.41160767563833	14.1304284294816	2.50646285264696	0.853886715427793	0.595279870863188	9.08710217755444	2.06518685023883	3.61261742916062	0.714333400093464	35.2263374485597	3.91644908616188	0.0813251246067602	0.201129950916229	12.9697057703385	0.844813772133044	8.96861354496001	44.2110500483914	3.6285328143145
"C75330755"	"75330-75-5"	"Lovastatin"	"DSSTox_20784"	0	20.6806501543526	0	1.4336036700254	0.752934574194454	11.6273693943597	6.54796094198736	15.613199802988	1.45825009988014	1.92307692307692	0.839160839160839	1.17640497622505	0.612921192654265	0.260715889335573	20.4327444924151	1.76162476442173	14.5422469965416	13.0922926716822
"C753731"	"753-73-1"	"Dimethyltin dichloride"	"DSSTox_27304"	0	0	0	0.921275025590973	0.759066629181895	3.19876461504522	0.988484663201875	0.458779368830808	0.432152117545377	0.34965034965035	0.294767870302137	0.340940432629157	0.0561265915073339	0.55302509052923	5.07522051956631	2.16365884337788	9.57803453902497	1.27677871410415
"C7540514"	"7540-51-4"	"(S)-(-)-beta-Citronellol"	"DSSTox_41550"	0	0	0	0.251721681310852	0.79702643034438	1.78340656500388	1.38553678376687	1.7603249830738	0.405523893029372	0.300075018754689	0.133868808567604	1.25357407658473	0.265934910040965	1.26542393591431	2.07561395143707	3.3083554427329	2.95479386086083	10.9890252990344
"C754916"	"754-91-6"	"PFOSA"	"DSSTox_38939"	10.007533419942	17.7722380981334	27.8335954336304	30.9429356118401	0.670554528275049	91.8982021947233	10.0384165692333	32.1441506700471	1.59202239328202	44.031007751938	89.7333333333333	1.82835353361675	2.22008542706159	25.2534702000425	9.10055776694662	10.1208201272276	41.5274695103937	55.530977373936
"C75503"	"75-50-3"	"Trimethylamine"	"DSSTox_26238"	0	0	0	3.5873388042204	4.09668855665782	4.09236690186017	1.87329700272479	5.03159372805991	0.23618004449769	1.39372822299652	0.158730158730159	0.473640195281862	0.00903381186506717	0.81834714647848	1.90917800772799	14.4974439527164	7.06736659514311	3.51426980129226
"C75605"	"75-60-5"	"Dimethylarsinic acid"	"DSSTox_20508"	0	0	0	3.29686521530924	0.258929364069482	7.55860953920776	0.837373292199205	2.4745984922976	2.13748358078255	0.460829493087558	0.137741046831956	0.086789354899586	0.251409516409869	1.65902284725885	25.0682459682405	10.6178928162153	1.18074147844376	6.80762123354308
"C75649"	"75-64-9"	"tert-Butylamine"	"DSSTox_24681"	0	0	0	1.65287125138599	0.0293960448957777	0.46875	0.976965133996596	-0.614602098124404	1.54983064764446	1.10091743119266	0.293255131964809	0.142746835849902	0.0629815804836228	0.738224877661589	1.76771703495084	7.90272654248658	7.94238586299807	2.40318939756823
"C756796"	"756-79-6"	"Dimethyl methylphosphonate"	"DSSTox_20494"	0	0	0	1.49573207340312	0.818604651162791	-0.248880039820805	0.686080195151701	0.827034237438862	0.789400610892934	0.294550810014728	8.47176079734219	0.258376905586387	0.1519661244886	0.613369767678186	3.82211601496567	35.8048829076559	3.96868485934048	18.1888724139032
"C75865"	"75-86-5"	"2-Hydroxy-2-methylpropanenitrile"	"DSSTox_25427"	0	0	0	1.20571216828663	0.267022696929239	2.64561115668581	0.848512275144247	0.0677863975295616	5.26518186188111	0.328947368421053	0.14194464158978	1.63255023974846	0.680085436550287	5.52484818795262	26.1052275830412	11.2920091338581	5.1888835368478	2.45831437986887
"C75990"	"75-99-0"	"Dalapon"	"DSSTox_21575"	5.07431626696179	12.0816748513828	24.3520166073547	0.707055889687546	0.010467289719626	4.47180816591057	0.292371755116507	3.95323796339025	3.65143281598186	1.5130674002751	0.296296296296296	0.213399457226671	0.360918066903037	2.97371031727507	6.64047063198751	9.87207287002158	7.90385007129763	7.21002953823053
"C759944"	"759-94-4"	"EPTC"	"DSSTox_24091"	7.81558984194588	8.43015244477321	0	2.3630824106413	0.287896177841612	-2.4105461393597	0.363355237727097	2.33260931154972	0.849225268176401	0.503959683225342	0.547945205479452	0.481280889920748	0.187919664237797	1.35406223140569	3.67738548080593	14.0758923352311	2.08031411413885	7.66811190128404
"C760236"	"760-23-6"	"3,4-Dichloro-1-butene"	"DSSTox_22113"	0	0	0	-0.20982407058697	0.194655813130419	3.51423487544484	0.598733448474382	1.32788559754852	1.36918450380329	0.482315112540193	0.144508670520231	1.05845751933575	0.353049003802406	0.370356782296915	2.01515067959296	14.8013908836889	5.98815338866436	6.09774495311583
"C76039"	"76-03-9"	"Trichloroacetic acid"	"DSSTox_21378"	0	0	0	5.48001273363955	2.03723372868354	5.12820512820513	0.621214474297252	5.10453946129215	4.19574744359682	0.571428571428571	0.121802679658952	0.140168209184483	0.0600298129307308	2.35089682524175	7.88686706017374	18.5869477622676	3.26382377469077	13.8253951963546
"C762049"	"762-04-9"	"Diethyl phosphite"	"DSSTox_41861"	0	0	0	2.32741617357002	1.3536355765663	7.32235701906412	1.47700098466732	1.73902318697583	1.07247935714512	0.611153552330023	0.141242937853107	0.277944116516736	0.113734346847055	1.57635641897267	6.27630625291077	35.6678558289614	5.87110894798198	5.12146229881779
"C7632000"	"7632-00-0"	"Sodium nitrite"	"DSSTox_20941"	0	0	0	1.11466151445344	0.964997210805404	5.49905838041431	2.48163896405102	6.43120219095287	3.32985697258641	0.503959683225342	0.273972602739726	0.911965653597945	0.176294526318034	1.23394262464618	5.15261953064536	7.25085815390145	6.01263883171814	10.8796691466438
"C76448"	"76-44-8"	"Heptachlor"	"DSSTox_20679"	0	6.50335017696948	0	1.68668699819506	0.607317001956261	12.0054108894149	1.43468789904604	16.0745115856429	5.87702691579554	0.996677740863787	0.769230769230769	1.12000154267707	0.938103217032474	2.82027230819774	23.0017376273686	6.14252547968101	3.12878519132981	10.536064235185
"C76493"	"76-49-3"	"Bornyl acetate"	"DSSTox_41675"	0	0	0	-0.431045099632995	0.00955827131835856	1.5016371231794	0.635702422541664	0.272685956673232	0.736616993109067	0.308166409861325	0.146735143066764	0.336895670485336	0.116607366760419	1.15059925937822	2.0584797709629	6.67803471711053	1.68735982201039	12.7507364951827
"C76578148"	"76578-14-8"	"Quizalofop-ethyl"	"DSSTox_23889"	5.2075032856704	15.2786525162701	0	2.29960887799821	0.733457081222094	1.6063294174059	1.78786315970431	1.66858457997699	2.15088579490263	2.39162929745889	0.418410041841004	0.254032373521838	0.132220878031447	1.40501411671662	1.88623625818319	13.6862807550445	33.4453351706713	8.58371124424702
"C7659861"	"7659-86-1"	"2-Ethylhexyl sulfanylacetate"	"DSSTox_27656"	0	0	0	-0.21109625022157	1.59142195542839	2.37124301465036	-0.119065337103736	0.817024510735322	1.0050924685071	0.29806259314456	0.418994413407821	0.10495807455762	0.196899883958101	2.47513869619981	2.20254665286341	1.84405435043741	26.1104307367292	4.37189042422896
"C7664382"	"7664-38-2"	"Phosphoric acid"	"DSSTox_24263"	0	0	0	6.14489962219424	1.22617988831703	2.81081081081081	2.04674962204908	1.59749809821655	40.8536815488546	0.309119010819165	0	0.344769912667708	0.277170377835329	1.7491471360521	24.9778034561108	18.8218690290038	5.6042955134719	4.2103969488475
"C76738620"	"76738-62-0"	"Paclobutrazol"	"DSSTox_24242"	5.45510103505944	0.280336984570915	0	2.38117885792194	0.885297525326045	10.0510317284225	0.21978021978022	2.79629469310016	3.35251718165056	0.407497962510187	0.422535211267606	1.21200714726003	0.397712048794608	2.13715465870816	2.73589858791788	9.25955871413134	7.93857417304896	39.0242163284696
"C7681767"	"7681-76-7"	"Ronidazole"	"DSSTox_45400"	0	0	0	5.32679819869131	0.726454068606972	1.86315451333119	8.57325145545897	3.40288924558587	4.43376694402125	0.285306704707561	0.451127819548872	0.283105346216885	0.0459269213977967	0.513309002072923	5.52158216263949	14.8048182786376	7.74846404047706	9.33230745846268
"C7681825"	"7681-82-5"	"Sodium iodide"	"DSSTox_41125"	0	0	0	1.16073402608888	0.790867019644977	4.78053020425902	1.36134196706266	0.59458613675481	1.07506421843783	0.495049504950495	0.612557427258806	0.410258533122337	0	0.302680681478429	3.55012555706607	17.4384431289457	6.90716893591926	2.57338473445984
"C76879"	"76-87-9"	"Triphenyltin hydroxide"	"DSSTox_21409"	0	0	10.2002677674886	-1.85637269860645	0	-7.75157599813215	0	0.27164070988772	0	13.6434108527132	35.7333333333333	0.186342461039775	0.425726652439724	71.6699126165069	3.60649983216158	37.2143892042414	118.491472750212	105.976680149381
"C7696120"	"7696-12-0"	"Tetramethrin"	"DSSTox_32649"	2.80790592975317	6.54298230194929	0	1.35040028151667	0.716410272811591	5.19911504424779	1.32501948558067	-0.215654952076678	2.21176677512972	0.677200902934537	0.97020097020097	1.06250292605109	0.192699559354792	2.2771736667516	6.99862765453372	21.5391966031144	47.9833637530516	6.48172286903983
"C769926"	"769-92-6"	"4-tert-Butylaniline"	"DSSTox_48181"	0	0	0	0.908275152655884	0.196801411541159	6.07202049118577	1.55996100097498	0.689021589343132	2.40423956669135	0	0.158730158730159	1.22657792724636	0.677777206911044	0.1105945320833	28.9232259171416	14.6582343959924	8.88965132341079	7.68743341072797
"C770354"	"770-35-4"	"1-Phenoxy-2-propanol"	"DSSTox_27312"	0	0	0	0.965646137415451	0.802436205210278	9.68247745981968	2.73298251570192	3.18196884322174	3.07156223785249	0.145985401459854	0.404312668463612	0.178730783228943	0	0.985249041328797	2.21454021819718	23.2256219726692	6.14565360174825	6.56776059861731
"C77065"	"77-06-5"	"Gibberellic acid"	"DSSTox_20656"	0	0	0	1.18804961854289	-0.142221762515515	0.526251376820462	1.89694950012817	3.40550767290309	2.65848670756646	0.565885206143896	0.282087447108604	0.0951906625465136	-0.0238920926094984	0.461305959949717	16.8458305843251	10.3365422177786	4.60163343167125	9.13898474744895
"C77098"	"77-09-8"	"Phenolphthalein"	"DSSTox_21125"	83.2268014530908	81.1907486459922	73.1484438766457	168.918529199712	208.237694465698	215.899581589958	227.148722023573	102.410439697448	124.611501143804	100.711462450593	87.2403560830861	2.84401010948988	1.92682693551281	20.5922146863596	272.849343309146	90.421704654311	94.51728213232	3.41793299800312
"C77407"	"77-40-7"	"Bisphenol B"	"DSSTox_22442"	82.0536709145217	98.3543092955007	97.5924669683395	176.632429370182	209.281324039419	203.237742830712	297.915218902015	151.091185924547	162.091737031752	101.540832049307	95.9287531806616	2.98218736638574	1.64650658998926	19.0917068135575	107.979614792444	131.391372578444	90.9836447787676	33.1415876933438
"C7747355"	"7747-35-5"	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	"DSSTox_29289"	0	0	0	0.933011487168952	1.56278552417272	1.02406554019457	2.42209311099374	-0.673499267935579	6.66320301337836	0.452488687782805	0.129366106080207	0.188667767891766	0.193117059938119	1.04133770002973	10.5628329751069	9.61438966280151	4.18386691597773	4.29540638512065
"C77474"	"77-47-4"	"Hexachlorocyclopentadiene"	"DSSTox_20688"	18.9808279542418	30.4784020064923	0	0.67837131116922	12.1775482601746	3.17517589752842	20.0546407738315	6.95469749168578	23.3321915413458	3.59857674268155	8.91541176212711	1.81487656143845	0.208381433641521	0.489436224502068	3.47724361166091	3.89240270550462	3.99758286388365	24.4542937306529
"C77485"	"77-48-5"	"1,3-Dibromo-5,5-dimethylhydantoin"	"DSSTox_35341"	0	0	0	2.17648450437663	0.323024392640448	8.2010582010582	2.38217400864912	1.30634137901203	1.97889182058048	2.92758089368259	0.13986013986014	0.622871479256732	0.130229300360412	1.37499134282818	35.4755691327437	17.5108978920328	0.701708561447932	3.32641072818558
"C77501634"	"77501-63-4"	"Lactofen"	"DSSTox_24160"	6.86246087328907	4.47287016135774	0	0.28182504743134	0.337546468401487	6.5007509118215	1.33824021411843	3.32863814960338	0.925602514844568	1.68453292496172	0.550206327372765	1.99770664015469	1.27164626664715	2.14243377400112	1.89249991557903	19.9503447833143	60.2128121126991	22.8822006654539
"C7757791"	"7757-79-1"	"Potassium nitrate"	"DSSTox_29692"	0	0	0	3.59775954148756	2.64915467374598	1.4239897370109	0.828792007266121	-0.585069038146502	1.60533972274517	1.39372822299652	0.317460317460317	0.00772736202460559	0.158655649961372	0.967279999302218	0.553972503276304	19.0069269499843	5.01822744199348	3.33281253792174
"C77714"	"77-71-4"	"5,5-Dimethylhydantoin"	"DSSTox_21754"	0	3.23067215029421	10.8886803600598	2.24224028199354	0.615731238715452	5.80344123651211	0.874943430381655	0.756995832270137	1.90103438635728	0.644122383252818	0.274725274725275	1.57737984875801	2.01767388986548	1.32489164582697	3.51666057353775	37.8438604806102	5.91347095064238	11.5514563365364
"C7773060"	"7773-06-0"	"Ammonium sulfamate"	"DSSTox_23875"	0	0	0	1.03359804520464	0.32563025210084	-0.775006054734803	0.280196137296105	7.64711840372734	0.482558941127809	88.702559576346	1.03469263542301	0.0779970551948322	0	0.912210529726562	3.42150321864033	23.6387504578345	9.49978689975134	6.39859405427403
"C77736"	"77-73-6"	"Dicyclopentadiene"	"DSSTox_25023"	12.0987667137281	6.94728672323167	1.59488920657613	0.233350618564338	0.403866621954598	3.54594594594594	-0.0465170368647518	0.786070492773223	1.24164999811299	0.154559505409583	0.153491941673062	0.410006192629199	0.313262439160343	0.223010586111878	1.58579899608934	10.2394800462378	2.18223998048263	2.27548503561714
"C7775271"	"7775-27-1"	"Sodium persulfate"	"DSSTox_29698"	5.51029982513755	7.60717956247247	10.5494376757263	-0.465447637140822	0.722188267870729	3.07573016283277	2.15428622508269	-0.23696682464455	0.295922840859271	0.300075018754689	0.401606425702811	0.164369757609139	0.182127206028393	0.456744751879221	8.79195399914687	13.1742228736441	4.66665323414953	14.2617546013767
"C77781"	"77-78-1"	"Dimethyl sulfate"	"DSSTox_24055"	0	0	0	5.41476467810483	0.171720613287904	7.18875502008032	1.05948236718632	4.14111876238091	2.2406896819541	0.559049615653389	0.138792505204719	0.0871022631679456	0.170912585079884	1.29292461173166	3.85130533712876	11.287323700968	5.24330910087081	5.51896427508679
"C7779273"	"7779-27-3"	"1,3,5-Triethylhexahydro-s-triazine"	"DSSTox_32511"	0	0	0	0.724956449824919	7.06300484652666	4.21655387818844	3.8961038961039	0.435161009573543	0.997423872118371	0.330578512396694	0.29585798816568	0.565580744341412	0.0623061506918436	3.06660765490004	2.5093413266511	2.26312658558163	7.82352860167017	6.72110403248192
"C77838"	"77-83-8"	"Ethyl methylphenylglycidate"	"DSSTox_20591"	0	0	0	0.479334358325043	31.1628474659018	4.23410168383194	59.4557616296747	3.88846252238424	33.0490000947777	0.315706393054459	73.2117812061711	0.808009713487822	0.0917304372234536	1.01982164910332	7.47295609270933	13.0481450481143	1.04466009589984	9.00762735465295
"C7785264"	"7785-26-4"	"(-)-alpha-Pinene"	"DSSTox_29290"	0	0	0	4.32334465344618	1.27560581583199	7.60020822488287	2.22777222777223	1.79866550623731	14.690534381399	53.8842975206612	89.792899408284	0.490393979993407	0.1627079026453	0.375334350208546	18.3740188868795	6.83254108313884	5.38572312550467	7.76146519158173
"C77861"	"77-86-1"	"Tromethamine"	"DSSTox_23723"	17.170818883901	7.95557851752865	11.9989612611512	5.75635241035384	0.774574981602285	0.672008270871024	2.06489675516224	0.355450236966825	0.0164401578255145	0.150037509377344	0.133868808567604	0.28030135482752	0.122866932030431	0.641325503070918	1.693586056891	13.5228843790254	3.57122695364366	5.60852711818091
"C7786347"	"7786-34-7"	"Mevinphos"	"DSSTox_32683"	0	0	0	0.0245182170352572	0.250720353253751	4.90296220633299	1.50496317643292	2.47824285122254	0.718194254445965	0.149476831091181	0.549073438572409	0.247548141674145	0.268255096375537	8.81990708539633	32.1344003166829	22.0743266550753	21.7850676587574	4.92730914391729
"C77907"	"77-90-7"	"Acetyl tributyl citrate"	"DSSTox_26446"	0	0	0	19.4830523618419	0.199579831932773	8.44611286025672	1.81190681622088	2.34139882027206	0.585778195209966	6.75744059452466	0.932348802347516	0.49174838967068	0.296809401472265	1.18104794372152	5.46675360433783	25.6927658634765	1.50524326297245	14.6554605247797
"C77929"	"77-92-9"	"Citric acid"	"DSSTox_20332"	0	0	0	2.12096658881846	0.2000992973957	0.0268024658268591	0.185656329505605	-0.227575924036725	1.54124332701911	0.662251655629139	0.0743494423791822	0.271884981738637	0.14146226078632	1.58815233946615	3.90251762404757	4.20073388659027	2.94495265744902	8.19470979106199
"C77930"	"77-93-0"	"Triethyl citrate"	"DSSTox_40701"	0	0	0	0.531639961603781	0.629834668399545	2.29979466119097	1.82737803883178	2.53051768689299	1.75041937130771	0.56657223796034	0.155038759689922	0.301605266999714	0.168599603975744	1.71879942414167	1.61044394399007	57.0561101990113	10.1098295697422	6.1747513739441
"C78079"	"78-07-9"	"Ethyltriethoxysilane"	"DSSTox_41962"	0	0	0	1.52313482399823	0.632089358386008	8.29683986270565	2.37192187942259	4.01465933699817	29.2435577722361	0.78125	0.297176820208024	0.287494333975608	0.140200099347745	0.450285660715988	8.90098548766124	5.52379802296773	14.9720106418678	7.76473582507247
"C78115"	"78-11-5"	"Pentaerythritol tetranitrate"	"DSSTox_23430"	8.52967842971021	36.9554844437692	22.2417737110681	1.2419949543955	0.38795710345031	3.33226529958347	1.4622757434259	6.80300500834724	2.49184218332839	2.76422764227642	1.27750177430802	1.43680602646144	1.62989947599065	2.29057028147133	3.83726814028118	45.5619335883093	3.76925915452103	12.1150548208376
"C78400"	"78-40-0"	"Triethyl phosphate"	"DSSTox_26228"	0	0	0	0.80051232788985	0.621287635693316	1.90809529185954	2.96088425634271	1.28768368429026	0.784140670083845	-0.154083204930663	0.293470286133529	0.31007450360284	0.173344521983459	1.11254624604126	1.04746380705509	32.2945027255115	9.38075502278286	9.29970177666419
"C78422"	"78-42-2"	"Tris(2-ethylhexyl) phosphate"	"DSSTox_21414"	0	0	0	2.22222222222222	1.03293260429858	10.6595602931379	3.58139534883721	4.70525568181818	2.48577621240856	0.159616919393456	6.89189189189189	0.539181174485742	1.20384250153016	1.86340024291277	8.09094738052872	56.9567497876488	25.8191653480379	9.86789398267725
"C78473719"	"78473-71-9"	"Enterolactone"	"DSSTox_48183"	12.1306541324971	49.7475662691222	19.9767837796007	5.53905521711796	2.94533271939156	32.2792262405383	21.4231642694928	52.9109076766589	47.9170728537077	38.6094674556213	61.1920529801325	0.387961539297585	0.377332331393092	9.27462665999	44.8987480842472	56.6105704666779	2.37834037986367	10.4261572843327
"C78488"	"78-48-8"	"Tribufos"	"DSSTox_24174"	0	0	0	0.631674915342536	0.0515318454535416	2.28310502283105	0.957914572864321	4.48541152562055	1.9864045263972	2.24284609435422	2.07900207900208	1.82300171155667	1.08648718225614	1.05930662007245	2.23243373676433	10.2887068822014	3.97064862596332	4.80063704277695
"C78491028"	"78491-02-8"	"Diazolidinyl urea"	"DSSTox_29559"	0	0	0	1.08164326573063	4.5162504368397	1.13969391077825	9.72996142306044	0.607378044882041	9.36074526180533	0	0	0.532206847345371	0.158087855906023	0.848223141643294	3.5558909206677	16.1585189125511	9.38329540464316	8.06825060714983
"C78513"	"78-51-3"	"Tris(2-butoxyethyl) phosphate"	"DSSTox_21758"	0	0	0	6.37488602318614	7.34665362582087	1.11610006414368	0.71525885558583	1.5211794991809	2.6185178846483	0.348432055749129	0.158730158730159	0.137177323058472	0.139874993461294	1.12260288406587	4.72087385820157	196.076684651529	14.5851460977573	13.6465329609454
"C78587050"	"78587-05-0"	"Hexythiazox"	"DSSTox_24299"	29.4346618061569	7.42282299294321	0	3.1144211238998	0.613532275254199	7.31244064577398	2.97699594046008	6.03189066059226	3.04410236103549	2.14723926380368	2.98295454545455	1.41767164044984	0.302798350530563	6.24038915175351	4.06774542080757	22.5185547054087	47.7725642902127	80.3639162130134
"C78591"	"78-59-1"	"Isophorone"	"DSSTox_20759"	15.1377296671327	24.1466306281854	20.334327858796	0.284067851635419	0.476085942430645	2.90082320658565	1.60277594183741	2.28881331004688	1.2908987578144	0.417246175243394	0.139275766016713	0.0576368811574067	0.0483214826446448	3.83724489335357	3.54260681075028	11.4352472206513	2.86853430514443	14.2776909052095
"C78637"	"78-63-7"	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	"DSSTox_25110"	14.1501162452253	5.73681151792273	20.4722032652633	0.441080880304578	0.694477341847708	9.91674828599412	4.31315104166667	2.08362663663241	1.90419106459496	40.9470752089136	0.412087912087912	3.07680580893379	1.08461686272337	1.58666787121359	1.69418519229743	16.4427715714932	8.31271478299194	3.75343185107787
"C78693"	"78-69-3"	"3,7-Dimethyl-3-octanol"	"DSSTox_29110"	0	0	0	0.954878431148989	0.609145527369827	2.7481542247744	1.21054417920579	1.3180688408526	3.3295946162474	0.328947368421053	0.28388928317956	0.232932374044371	0.0351600569771761	0.40109389306842	0.901117705231702	14.5346032859087	6.10044080604533	11.0880938220634
"C78706"	"78-70-6"	"Linalool"	"DSSTox_25502"	10.5962764600867	3.02242501414828	20.2981092383078	4.17005344959236	0.0450604219294052	0.666139776448007	0.234809002920795	0.0605968792607181	-0.546522285209953	0.308166409861325	0	0.796635963650721	0.157889123893746	0.394242124266621	3.46362956882439	22.3611214358652	7.76752188944672	4.08173161318926
"C78820"	"78-82-0"	"2-Methylpropanenitrile"	"DSSTox_26461"	0	0	0	4.17492216246816	2.154756544671	5.10977268311638	2.53568429890848	2.80842527582748	2.11925760168488	0.606980273141123	0.255754475703325	0.289786833771745	0.0510909337283803	0.601720323219882	5.11202378522479	32.9424325176482	5.83956339873889	8.17108131283322
"C789026"	"789-02-6"	"o,p'-DDT"	"DSSTox_22345"	7.74827998013127	2.18084079718448	16.1935408496932	75.3299463571084	85.3633853315792	114.177287698697	88.6110644962801	43.595450049456	39.5046591466405	106.039076376554	96.6149506346968	2.31769562206913	3.98158575232337	52.5905025031133	98.6111738168965	98.9488983355377	25.2246204245014	10.9788457104693
"C78966"	"78-96-6"	"1-Amino-2-propanol"	"DSSTox_21764"	9.15889229448496	16.3431028906584	37.20193090613	4.28213921586801	6.36649649768491	5.41414141414141	8.96152254861398	2.00361944157187	4.55609900696606	0.605143721633888	0.142045454545455	0.443567416353959	0.186942718578209	0.978124682081089	10.3759075379228	7.86111950065412	4.08963734594896	4.52326670011346
"C79061"	"79-06-1"	"Acrylamide"	"DSSTox_20027"	0	0	0	1.50760488049474	0.281119246861925	8.03618946248004	2.78687074228081	0.138674884437595	1.68580086210576	0.604229607250755	0.132275132275132	0.546584582440345	0.134705444264375	2.51766423801825	3.23617825687286	10.3972291046841	6.56256742143829	2.51972589638392
"C79098207"	"79098-20-7"	"4-Chloropentylbenzene"	"DSSTox_48206"	0	0	0	11.307678737935	0.590803449249549	10.336579531864	2.11946050096339	3.10058392959947	1.82397220613781	0.14265335235378	0.316957210776545	1.09521889089958	0.106094604929091	1.19590868973958	4.38785124854262	5.11806019097996	14.1254540328326	14.1382209716802
"C79141"	"79-14-1"	"Glycolic acid"	"DSSTox_25363"	0	0	0	0.724810452529683	0.585856729311216	4.32079577245881	3.25602825986791	0.0918414204806369	-0.111482720178372	1.20481927710843	0.144717800289436	0.103057377735402	0.0682159103381106	2.42236339899832	2.25964883933035	19.4786599028949	5.46282062006531	5.05530565770315
"C79163"	"79-16-3"	"N-Methylacetamide"	"DSSTox_47167"	0	0	0	4.49757958046061	0.0702803738317756	0.972132209980561	1.24922477186143	2.1227503461006	0.445678095312562	0.412654745529574	0.296296296296296	0.693286500639403	0.180141397485452	1.97293609586333	13.0513772871247	21.37197840487	2.13257901231708	8.87123618758191
"C79241466"	"79241-46-6"	"Fluazifop-P-butyl"	"DSSTox_34855"	0	0	0	0.0979144227944777	0.344130491813398	20.0933216681248	1.91582440790466	5.52011567576763	1.89171559034573	26.2479871175523	17.7197802197802	0.41150009303207	0.98163030144841	0.48374792172906	45.0180741122465	83.4942369480231	22.6791517663264	13.2048640065708
"C79243"	"79-24-3"	"Nitroethane"	"DSSTox_20969"	0	0	0	2.72290443139349	0.348319868867814	-0.0969932104752668	3.43001416343371	7.57955399649211	1.99122236671001	0.71301247771836	0.254614894971356	0.170065896509648	0.14217208408536	0.821985064171952	7.28066643088308	25.4220006131402	5.81429627057813	8.1212543643507
"C79277273"	"79277-27-3"	"Thifensulfuron-methyl"	"DSSTox_24124"	14.8256612847819	6.04543532919477	12.3384536900578	0.600830238147257	0.363572648823865	4.5997049751911	0.631095811818703	1.35146621334467	17.4213604941302	0.307692307692308	0	0.566117112332658	1.8368180816843	0.573955919083535	3.93836520921233	4.77872176382879	3.6874947883815	8.34400587318155
"C79390"	"79-39-0"	"Methacrylamide"	"DSSTox_29600"	0	0	0	0.905230586918595	0.0285452620811875	0.0361794500723589	1.45082467929139	0.546704154951576	0.917284197877026	0.637958532695375	0.281293952180028	0.1359490543488	0.0106678948399291	1.6616852718669	1.41039065856887	20.2046346700747	6.28142024268656	9.16308024770158
"C79436"	"79-43-6"	"Dichloroacetic acid"	"DSSTox_20428"	0	0	0	1.26761227086377	0.737470526262981	2.13378086789739	3.04280556988138	1.46720368239356	0.124890142929829	0.298953662182362	0.278940027894003	0.127532115678524	0.0888793132788552	2.06977160380751	3.20500038734633	11.5066570021019	7.13962020229972	6.04830683739558
"C79447"	"79-44-7"	"Dimethylcarbamoyl chloride"	"DSSTox_20512"	0	0	0	1.14496880111468	0.486399290719009	8.7905935050392	1.23577037803616	2.9948736397158	0.0322800473440691	1.88834154351396	0.288808664259928	0.259098758308804	0.126151422779429	1.64645840267923	4.81651691166122	38.6624055053847	9.38861888763273	3.99637279066667
"C79538322"	"79538-32-2"	"Tefluthrin"	"DSSTox_32577"	7.6354084033453	13.8302707756827	0	0.06463684300051	0.356657500334964	4.35510887772194	4.80472042708626	6.33162758726037	2.85065758728887	0.823045267489712	1.0443864229765	1.69972123023169	0.399150436822219	1.76033510311116	15.5336080916538	14.1576871725661	15.4061046309631	8.22663421221019
"C79572"	"79-57-2"	"Oxytetracycline"	"DSSTox_34260"	0	0	0	1.94382063836837	3.48978719205342	7.08401976935749	4.44788372249512	1.61714435971601	3.63791631084543	0.151285930408472	0.426136363636364	0.314740539706723	0.0932907158207619	0.70877506680273	2.36280088685064	8.55381348414351	5.32649183659825	12.9684002199868
"C79622596"	"79622-59-6"	"Fluazinam"	"DSSTox_32551"	0	0	0	2.80392029596937	-0.466782644642334	6.45745322872661	3.11699402220325	2.09823182711198	-0.198573878508891	43.4460016488046	0.852878464818763	0.540219454795159	0.394243033758919	37.1115299632056	1.93090670835697	3.86678671728168	108.074623264482	105.924908491402
"C797637"	"797-63-7"	"Norgestrel"	"DSSTox_36496"	29.2917668613306	57.7059843435287	16.1771172280362	6.80878072268061	6.46051530300631	6.94590929636884	14.4638974711065	8.72452130945028	8.38927166809593	101.651314592431	85.7103502131212	3.11884351207415	3.16810474956582	102.307630143546	107.937320123218	61.4543766727075	2.51488946367014	0.22940770012267
"C79902639"	"79902-63-9"	"Simvastatin"	"DSSTox_23581"	0	10.3212716464203	0	1.27288749632821	1.00461412632521	6.44502770487023	1.3576708402474	11.269881772561	0.75482247693598	3.7037037037037	0.961538461538462	0.48396475961071	1.38932302559864	0.530496003094793	11.601384168035	7.56761080554506	20.5819755824874	7.60619989830604
"C79925"	"79-92-5"	"2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane"	"DSSTox_26488"	0	0	0	2.34009360374415	6.7017930589532	3.67958319765549	2.7861123017574	0.684099482130298	2.21651140379056	0.148478099480327	0	0.651482348498058	0.120463620451465	0.629400700859449	4.8856829242133	11.2794788057435	6.52080215282661	4.82997883904094
"C79947"	"79-94-7"	"3,3',5,5'-Tetrabromobisphenol A"	"DSSTox_26081"	8.76322304749043	28.06772996053	27.3795779616445	4.22552215380901	0.686525825746192	15.4004106776181	2.87024810619223	6.7728386419321	2.18693284936479	0.328407224958949	0.487465181058496	1.98410624529221	0.4776743668136	17.3578425776377	2.18952981225153	5.72381544224303	69.10310747812	9.48175236515424
"C79958"	"79-95-8"	"2,2',6,6'-Tetrachlorobisphenol A"	"DSSTox_21770"	41.1270236612702	77.6636534640605	50.7340287289713	82.7869307150385	26.6368202168034	57.6742823667252	36.3198185426708	13.7947269303201	10.8043639776327	28.3489096573209	29.261744966443	2.71309913723693	1.72775839015547	27.5587799731283	33.2936814528126	73.1166181940157	76.1358284735649	14.0126209437813
"C79983714"	"79983-71-4"	"Hexaconazole"	"DSSTox_34653"	7.35580453357506	20.5039448278522	0	6.9672131147541	0.254747283310977	5.062893081761	1.42876041804471	17.9206566347469	1.67952456535381	24.9798549556809	0.147058823529412	2.27626278088008	0.936695239164117	2.64369491432077	1.55943898241773	12.7249757266266	85.2259427640162	70.7596942990229
"C8000348"	"8000-34-8"	"Clove leaf oil"	"DSSTox_44175"	0	0	0	4.91961893420661	33.7737082482276	19.1429699229541	25.485581216874	15.6630906003427	10.7739866484001	0.226358865731741	0.131924067102204	1.39185647276463	0.201841629818414	8.05089867189954	2.91154539041807	3.81315774145544	6.48684693318159	9.66447146104893
"C8000417"	"8000-41-7"	"Terpineol"	"DSSTox_40775"	0	0	0	0.0354217400929821	0.574364302825642	3.46786601964729	3.35692046419473	1.0328169248709	1.95178719866999	0	0.297176820208024	0.488940076542025	0.129900345976899	0.730431349024307	6.74267628800559	9.70428431459884	8.54123508002483	5.00079148874631
"C8001545"	"8001-54-5"	"Benzalkonium chloride"	"DSSTox_34317"	22.3487443399221	-20.7091337737214	88.9617618586641	2.79704325606862	0.45662100456621	9.81676980948914	5.25993133889162	5.41193778898697	0.985140522552799	38.1578947368421	3.45086271567892	0.380282248729211	0.117313183359698	14.3549042645426	4.19716204613011	18.5709331468566	82.1212453604948	114.939856953534
"C8004920"	"8004-92-0"	"C.I. Acid Yellow 3 disodium salt"	"DSSTox_41721"	0	0	0	2.79420229187379	0.233127923379612	2.82602572528401	-0.248615662786755	1.198738170347	0.911458333333333	0.161030595813205	0.416088765603329	0.302408644167941	0.308717221160815	0.98213406065231	2.63424855150861	46.8444577695058	12.923121611332	12.9247453636249
"C80057"	"80-05-7"	"Bisphenol A"	"DSSTox_20182"	87.0935391285244	93.6149445171283	87.2252056046638	158.495637821269	236.794459133234	176.615231458437	242.262821923839	114.181152790485	162.38219598047	105.15625	89.202657807309	4.74583832701566	2.71725134621316	31.510553190283	97.1352740270381	119.057797674128	92.9796305068688	21.4525606221821
"C8006904"	"8006-90-4"	"Peppermint oil"	"DSSTox_21113"	0	0	0	3.55448074466143	0.589058370329424	8.02087125348866	7.79794016674841	12.7889869693148	3.45622878982571	1.80921052631579	6.00150037509377	1.17317286914204	0.361561554323793	9.54119119269348	52.4129085321502	1.4085746783779	6.16192372198105	11.2210962724217
"C8007703"	"8007-70-3"	"Anise oil"	"DSSTox_24528"	12.9123937129606	56.2521014723579	40.4879016263388	42.1498651261608	35.8533931562282	65.7339340763576	77.3871078938297	55.7739782390052	36.0019698195505	0.311284046692607	3.65682137834037	1.2577786803823	0.542645098348453	0.77668820875927	37.2279549803551	2.90635599702396	15.4516466198686	4.70843324917375
"C80079"	"80-07-9"	"4,4'-Dichlorodiphenyl sulfone"	"DSSTox_24986"	14.2032353473773	5.06398918435391	1.63816934575612	-0.16980399767126	1.559204024133	4.00512656199936	13.4431064143524	3.19282136894824	12.6520320379709	3.73983739837398	0.42583392476934	0.53430911379654	0.2286519055572	0.349854035119366	0.54881529250872	21.0147171180343	23.3281672282874	47.6139108218788
"C80080"	"80-08-0"	"Dapsone"	"DSSTox_20371"	0	0	6.50262398776631	0.61571894241217	0.804384336603907	11.5283074215312	3.85711307248593	6.16030801540077	1.99637023593466	9.688013136289	0.487465181058496	0.875768636406472	0.701929601512854	2.92577711662719	51.362406363075	13.7895564137791	-4.19376759537908	7.68799001019805
"C80091"	"80-09-1"	"4,4'-Sulfonyldiphenol"	"DSSTox_22409"	55.8065330256706	86.3028095733611	24.2709571258799	82.0852563148231	83.494503257329	119.232	119.212507237985	87.3947467638557	101.815700468759	75.3125	47.1571906354515	3.39314230857576	3.27971314698042	67.0515501628575	93.9178243874501	188.585674820459	4.59144477449862	16.4700066246545
"C80159"	"80-15-9"	"Cumene hydroperoxide"	"DSSTox_24869"	0	0.379408718405314	0	0.578076450610593	0.29471357524406	8.13762971054069	2.20928496790566	4.69964664310954	1.59151193633952	6.99523052464229	12.7218934911243	1.55008153019753	0.096548488358248	2.01149896976919	1.63864851266351	10.8911065440106	5.21985227441743	3.0964937519433
"C8018017"	"8018-01-7"	"Mancozeb"	"DSSTox_34695"	0	0	13.455322698363	0.742069136107848	0.246852437958012	5.37306939308245	0.905523694536674	3.48275014340736	1.77929854576561	0.956937799043062	0.126823081800888	0.64476236282801	0.0697665370158102	1.32630639496315	13.1222707897137	10.3249397760799	3.93498617128461	2.02339148246446
"C80262"	"80-26-2"	"alpha-Terpinyl acetate"	"DSSTox_26496"	14.0422887318998	6.74988742249471	14.5034648485526	0.075736822598579	1.94539903541246	1.04213864975079	-0.0297663342759339	1.26037114446767	-0.120611096220852	0.745156482861401	13.4078212290503	2.48495032849005	2.47968752656814	1.05452037753402	34.9397985397934	17.9401116092131	3.13704973810938	5.55195568082965
"C80273"	"80-27-3"	"Terpinyl propionate"	"DSSTox_44833"	19.7728829421459	15.9237045203969	20.1451087588694	1.28785734503255	1.43114427220686	8.68467068195065	2.45172124265323	8.46288866599799	3.30393576411741	0.455235204855842	0.127877237851662	2.16863491467295	1.3063952117697	3.37072364171016	8.56173499680086	13.5441749286493	1.80269430186751	5.57886858990396
"C80433"	"80-43-3"	"Dicumyl peroxide"	"DSSTox_25017"	16.9163478184384	22.7133286597547	15.088486424203	122.449124299794	13.9008639548247	270.58644788818	38.9424994018662	63.7533998186763	33.473652559573	103.77094972067	87.7318116975749	4.28243790372266	3.30350069562213	28.8868929218642	49.025537379862	35.8390650236018	4.56647928254082	7.82523650615392
"C80466"	"80-46-6"	"4-(2-Methylbutan-2-yl)phenol"	"DSSTox_21771"	21.3012900198856	20.5825536036461	41.4223120997641	118.363730340397	68.851926369328	147.76180698152	129.205416870615	119.37984496124	107.91335424112	79.7450424929178	87.9069767441861	4.15121386998635	2.05480495306323	12.3063175966431	39.1842082787369	99.9309649606359	6.34582286886765	26.0892394709324
"C80546"	"80-54-6"	"3-(4-tert-Butylphenyl)-2-methylpropanal"	"DSSTox_26500"	6.66351109708636	4.78751446705629	11.0795675507506	4.57214455936909	0.811558752500492	12.5227489383829	21.1786372007367	7.32213740458015	6.36424282855237	0	0.289226319595083	1.99930118911645	1.9453588640989	0.250866773911668	4.99240277064053	18.2166025757866	10.2266543373799	7.25787415526111
"C80568"	"80-56-8"	"alpha-Pinene"	"DSSTox_26501"	0	0	0	1.33274297099845	0.505094236153202	3.3258373772044	1.12652136994056	2.86523404964184	0.85453034081463	0.15625	0.297176820208024	0.755112940876467	0.248894534923276	0.458942210024027	0.492619243139375	12.9276502206048	6.5287201164322	3.59828261848483
"C80844071"	"80844-07-1"	"Etofenprox"	"DSSTox_32610"	0	0	0	2.64599855803893	0.265238459576639	13.9270771069934	0.662163951794463	4.36372703848392	3.3683048039757	1.42292490118577	1.78041543026706	0.594002263944462	0.405651903643243	2.25992220757791	3.05666781448326	10.53337286931	8.11991869353637	14.6214175015584
"C81072"	"81-07-2"	"Saccharin"	"DSSTox_21251"	0	0	0	14.1692205196536	7.28977097139718	7.12303422756707	4.20816925333951	2.97749957705972	2.16115007457713	0.296076980014804	0.127226463104326	0.207408107806437	0.152944954122141	1.49829917154403	7.84982044170111	11.0799198704058	6.69389356124994	8.59961752950124
"C81131706"	"81131-70-6"	"Pravastatin sodium"	"DSSTox_47525"	0	0	0	4.28376711884209	0.501231548305975	4.34520217260108	-1.02476515798463	-0.62082514734774	2.19333874898457	0.90684253915911	0.426439232409382	0.263662894208307	0.175241525802932	1.2342514441912	1.99487312340958	6.29062663158275	4.18789940868429	11.5925188226565
"C81334341"	"81334-34-1"	"Imazapyr"	"DSSTox_34665"	0	1.38629086861222	0	2.69253782374562	0.581398464250693	9.60156760287393	3.24825986078886	2.69666781174854	7.96943634417334	0.141843971631206	0.275482093663912	0.11922826518124	0.209592980827795	2.35808973432128	4.51934086719485	22.0875785421798	5.08509690571447	7.76688316905114
"C81335377"	"81335-37-7"	"Imazaquin"	"DSSTox_24152"	0	0	0	6.0679993703762	0.344804088586031	-1.04417670682731	1.2562433782352	5.31081973398736	0.990252805716282	0.279524807826695	0.138792505204719	0.396264364626653	0.137728727856985	1.17724773691366	4.17939576166756	17.3011509944571	6.5895444160495	9.6980258770247
"C81335775"	"81335-77-5"	"Imazethapyr"	"DSSTox_24287"	0	0	0	4.41024066326335	0.29123373733006	7.08502024291498	1.51373283395755	2.89596602972399	1.80790119782754	-0.0620732464307883	0.529801324503311	0.428013584671299	0.15913353972147	0.778621037370066	8.07293611822783	16.6423417234007	1.86872982703131	8.36494433667385
"C81405858"	"81405-85-8"	"Imazmethabenz"	"DSSTox_32412"	0	0	0	0.672866107204959	4.75466452355611	6.13360669742013	3.33718689788054	4.64676371412123	1.89842005128629	0.285306704707561	0.316957210776545	0.440788214534513	0.0470946149602976	1.23790207024327	18.3096417838039	2.11732361100749	6.06498889492384	7.98064413974996
"C81406373"	"81406-37-3"	"Fluroxypyr-meptyl"	"DSSTox_34303"	0	0	0	15.5192808138159	0.458129651919723	23.4920634920635	5.47533533680275	15.2348819101998	2.36147757255937	0.924499229583975	0.27972027972028	0.679331350885233	0.622191487349713	4.20694284783577	37.0546655067168	2.2547480228266	6.06512085327382	2.58789469479848
"C81741288"	"81741-28-8"	"Tributyltetradecylphosphonium chloride"	"DSSTox_34997"	73.4136800322154	103.591923104512	30.3035804055186	-0.0355366027007818	-0.0165193689601057	2.935742147403	-1.59883720930233	2.43398731376309	-1.46682815233481	50.0375657400451	58.7878787878788	0.388449459966809	0.0935331656049486	84.7418026159036	2.96714975413228	138.573998843861	58.0214783268668	107.070796038763
"C81777891"	"81777-89-1"	"Clomazone"	"DSSTox_32355"	0	0	0	4.372913955988	0.183249218937755	7.27323785453525	0.595100085014296	3.77376516671444	2.79440219592314	2.1602787456446	0.297176820208024	1.27008916336774	0.966908276431524	1.29147651628634	17.1845471290811	9.04300043850471	18.5079831234188	7.41316144044897
"C81812"	"81-81-2"	"Warfarin"	"DSSTox_23742"	0	0	0	3.46845870366356	0.488119358997974	9.99453850354998	0.910583669204358	0.795053003533572	1.97044334975369	5.72337042925278	0.591715976331361	0.569286166711671	0.448885269762519	2.3296962141749	6.41551472015951	17.0830806640504	1.45132876090782	7.5168314441992
"C818611"	"818-61-1"	"2-Hydroxyethyl acrylate"	"DSSTox_22123"	10.1017597551645	7.89512984971388	0	0.762768074286978	0.644163188007629	0.478053020425902	0.902462652322439	0.359881082772648	4.77912028668379	0.165016501650165	0.459418070444104	0.526380779457944	0.273093077343382	35.9665243131789	71.9145912780586	2.56503963327445	0.606518311684459	6.44909069643447
"C81889"	"81-88-9"	"Rhodamine B"	"DSSTox_42369"	0	0	0	11.8193407393917	3.12854228066198	22.5174825174825	10.3631380609798	15.8542671768425	5.48170031183325	1.56494522691706	0.491803278688525	0.340641655197356	0.0305026280826185	0.594235273815832	2.04013878209318	0.91500101990366	30.8558893628182	28.4448890083514
"C81903"	"81-90-3"	"Phenolphthalin"	"DSSTox_22439"	56.6319966802295	79.4757437659061	12.4669627530585	1.59271436200135	1.56696664902065	7.18782023129849	3.92912914559277	4.08578994583504	3.42029459723752	1.27817190045844	0.362901176530379	3.28467645310975	1.53610975409693	11.5477832085172	11.5338556543265	5.8366289937168	4.5032480612011	5.92773808225049
"C822060"	"822-06-0"	"1,6-Diisocyanatohexane"	"DSSTox_24143"	0	0	0	2.06289695786897	2.32232947999841	3.73783922171019	2.05991096355542	2.47437774524158	1.01744815343984	6.63650075414781	2.58732212160414	0.132242021753281	0.0695524168899417	2.6399615843416	8.09815360048216	9.19727117086777	7.43862053070374	4.83783209358835
"C82385420"	"82385-42-0"	"Sodium saccharin hydrate"	"DSSTox_21992"	0	0	0	1.96397065651407	0.230229186997262	-1.54260528893242	0.651041666666667	1.59087709418556	0.272027294942137	8.07799442896936	2.33516483516484	0.409759012374679	0.43164711217619	0.901151749834346	62.8260934949229	120.785927512888	4.75747242585051	2.90239953095552
"C824395"	"824-39-5"	"Sodium 2-nitrophenolate"	"DSSTox_35616"	3.89538974390502	1.7278228288976	20.4798018882526	1.90127257354695	0.668455565964338	4.76030277544155	0.938682816048447	0.915455035002694	-0.0129979853122766	0.14792899408284	0.132450331125828	0.804882416669376	1.47048368821366	3.33512668912885	7.00506963173192	12.3047113518176	4.50645890583559	7.77581741268536
"C82469792"	"82469-79-2"	"Butyryl trihexyl citrate"	"DSSTox_47535"	0	0	0	0.771718921121667	0.201176693869804	0.504496600131611	0.96049293222182	0.760456273764259	-0.0179565451607111	0.21505376344086	0.825309491059147	0.385688010104784	0.114747883679667	1.09748296738617	4.13443176818457	33.0728971947778	24.6060765290049	9.24937256942806
"C824782"	"824-78-2"	"Sodium 4-nitrophenolate"	"DSSTox_27320"	19.9465808640438	6.65162827482951	13.9129903458389	3.21484462329533	0.0942303421701788	7.59493670886076	1.98449612403101	0.887784090909088	2.052289352479	-0.159616919393456	0.27027027027027	0.327994923306345	0.0912123692188829	1.36400181446049	3.57923964773921	3.62288094211293	4.15508969106578	0.974921761979772
"C82558507"	"82558-50-7"	"Isoxaben"	"DSSTox_24159"	4.8137975117965	10.119995424388	0	2.82075391059065	0.416356319560173	7.07598519486174	4.45475638051044	4.08794228787358	7.45265955483371	0.851063829787234	0.275482093663912	0.603739707751781	0.557001559201484	2.10489541452338	3.71627157910422	3.71584954906958	27.2133618531565	14.8508616361822
"C82640048"	"82640-04-8"	"Raloxifene hydrochloride"	"DSSTox_34181"	111.086983860826	107.697631057029	89.0060487166912	289.151297671702	589.703320824187	233.971871968962	384.847319854738	218.585515985177	252.173069998061	132.450331125828	118.136370390813	0	0	1.24589535212137	1.24213308420738	79.5182822061165	123.804159445407	103.539553321288
"C82657043"	"82657-04-3"	"Bifenthrin"	"DSSTox_20160"	9.03851571501717	15.7957660755777	0	1.59955187651709	-0.169348010160881	14.7784917145756	-0.112671824532413	3.13493866424352	1.38282986254013	1.66112956810631	3.53846153846154	2.62835806674371	0.669354688011526	5.55904491791481	21.1255569104165	24.9491271937877	23.6172977528788	74.3732030935673
"C826620"	"826-62-0"	"3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione"	"DSSTox_47456"	0	0	0	1.4091252371567	0.135315985130111	1.00836730315383	-0.869856139176983	-0.615316183556974	0.261962975899406	1.37825421133231	0.137551581843191	0.273370044418355	0.229720315374461	0.598307120679541	2.22776106687906	6.43591679569237	3.17209609731696	1.19244530569336
"C82688"	"82-68-8"	"Pentachloronitrobenzene"	"DSSTox_21105"	5.01305659624541	6.11113931333233	0	2.93579954833853	0.280460818699032	12.8084606345476	9.84590429845905	9.03230532561717	10.3196859226024	6.6951566951567	20.1157742402315	2.40033303091726	1.12869303000635	2.30608359102506	3.00770918421542	16.382492330726	7.15024056999037	14.6954473738302
"C827190"	"827-19-0"	"Sodium 2,5-dimethylbenzenesulfonate"	"DSSTox_44578"	0	0	0	2.97222884644568	1.60842158746289	7.75441547518923	4.72369417108251	4.11057260814935	3.64593488009359	0.29585798816568	0.132450331125828	0.204434765187287	0.163110179885997	58.5171481428775	84.9665615602356	7.69400136572085	7.50923266721949	2.74765193117282
"C827214"	"827-21-4"	"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt"	"DSSTox_41639"	0	0	0	1.69196490739451	28.7362864831298	15.9481544096929	81.7363401372671	36.4916286149163	75.9922327811939	3.41805433829974	94.4404332129964	0.568332501192979	0.149517562448629	1.13062525222166	3.24345980112597	24.7749600778611	1.80061051834584	9.87040259827279
"C828002"	"828-00-2"	"Dimethoxane"	"DSSTox_20480"	0	10.6302481470616	0	1.55084745762712	0.817144001602243	8.92524332159867	0.985915492957747	1.95935477991433	1.74471326489898	0.445103857566766	0.27972027972028	0.289633689427458	1.11737783247871	0.560026568371754	4.39629919351656	5.38881097263779	1.26432158521468	4.02150334131185
"C83329"	"83-32-9"	"Acenaphthene"	"DSSTox_21774"	0	0	0	1.32743362831858	0.646170727246866	5.32337146859678	9.20327375981293	7.67837739949294	14.6518544436669	0.62015503875969	0.666666666666667	0.670397977227214	0.0624417863107116	0.541801140425945	8.10582079197066	21.9356522412332	1.35416264341816	2.00911419688041
"C83410"	"83-41-0"	"1,2-Dimethyl-3-nitrobenzene"	"DSSTox_25132"	0	2.70730466042967	0	1.99372533144418	0.214828687892475	-0.276166804750069	1.02966246164337	2.80990610967478	0.541382667964946	0.295420974889217	0	1.45533103196161	0.50444789503121	1.35311232511263	3.60292673769198	9.52368939521203	7.17910661473809	4.05097559300422
"C834128"	"834-12-8"	"Ametryn"	"DSSTox_23869"	3.15464158301108	8.86885969779903	0	4.93977235053597	2.68398780812594	6.02263540824575	4.45130013221683	0.458865945591606	4.09584842574533	-0.153609831029186	0.275482093663912	0.35759164342947	0.333932045379283	0.380750348380928	3.40936856440472	10.8007501085622	3.38924385287573	14.2054087168335
"C83657243"	"83657-24-3"	"Diniconazole"	"DSSTox_40363"	0.98606324833338	9.74462800841384	0	1.94791984538704	0.554731473391177	7.0978286247957	3.8583597795223	2.62586019558131	9.68334499650105	39.8449612403101	0.666666666666667	0.441488993382799	0.225072662655271	2.25727266406827	3.5985570220334	4.14208892761519	82.6574628322414	67.1068293161214
"C83670"	"83-67-0"	"Theobromine"	"DSSTox_26132"	0	0	0	2.01049379689109	0.32743329715975	7.96731358529111	1.5850144092219	-0.0414421881475333	0.812243502051983	0.298953662182362	0.274536719286205	0.301502354654144	0.0560380071415183	0.447991360656684	0.211593171335076	10.0536126026606	3.62556620338382	6.94780319132182
"C83794"	"83-79-4"	"Rotenone"	"DSSTox_21248"	6.3527358241876	12.6178264961904	0	-0.330937656693967	0	-7.92974986695051	0	0.816640986132507	0	0.302114803625378	0	0.867452660410488	0.172396232251398	18.1257898782531	0	251.330953309457	72.251703707825	108.260228200617
"C83834597"	"83834-59-7"	"2-Ethylhexyl trans-4-methoxycinnamate"	"DSSTox_47205"	0	0	0	2.00253361917755	1.97477920558996	4.19919814306816	10.5221767851526	5.11515151515151	4.23965999792682	0.636942675159236	0.700190961171229	0.837761191702819	0.344767004634981	0.493581976339258	15.9001307752833	0.859976343066067	11.1987890000224	9.30359562154776
"C83885"	"83-88-5"	"Riboflavin"	"DSSTox_21777"	1.90005768676089	36.5900281888654	18.1145034072007	2.89369479134938	0.883786239365656	11.7224389242455	5.58139534883721	3.80587107242956	0.955456869869467	0.150262960180316	0.303030303030303	0.214513643725454	0.216612605128359	0.572501966325636	29.6737051617456	20.8993331713949	51.7392531204549	9.60056452469053
"C838857"	"838-85-7"	"Diphenyl phosphate"	"DSSTox_48207"	0	0	0	1.03974730192156	2.06755316164507	1.2471283229406	11.9036697247706	1.58494304110946	0.469070653767224	1.00334448160535	-0.142755174875089	0.208017826622352	-0.0177747017279766	0.736454850967165	7.78973761032267	6.3131086900583	9.21342347509118	8.54829844471384
"C838880"	"838-88-0"	"4,4'-Methylenebis(2-methylaniline)"	"DSSTox_20867"	8.19268300435459	52.3009636737092	7.14114194236926	47.8930847522115	85.1816642405157	147.082316396716	142.40465416936	37.425331140161	48.0583337989607	38.2233088834556	16.6197183098592	1.9112128498528	0.563531956655097	1.11873411446759	13.4813603388699	28.9470022342384	25.7018615046171	7.79175496762636
"C84087014"	"84087-01-4"	"Quinclorac"	"DSSTox_32641"	0	0	0	0.73639430834678	0.861308411214953	6.11363145387773	2.48958979356782	-0.261498231041377	3.74525978341608	0.275103163686382	0.296296296296296	0.405073757722855	0.340810184122674	1.7852447210377	3.46312677842689	6.62789410927016	6.47353326618192	5.82752928624772
"C84162"	"84-16-2"	"meso-Hexestrol"	"DSSTox_22381"	150.678822427194	101.791948687257	98.6104299493216	136.177076921829	151.083477157735	103.171025844317	143.937451935401	91.2926339770987	86.0802621498786	110.198300283286	93.17738791423	3.56995199287933	4.05717957159054	104.967792726662	94.4919361425719	178.418500166513	103.604372296622	64.3822828832675
"C842079"	"842-07-9"	"C.I. Solvent Yellow 14"	"DSSTox_21135"	6.70402951191828	2.90232925787575	20.2727731941404	2.40520827054072	0.156732054179796	2.33093525179856	0.797327055964764	-0.641388417279759	1.49071243827886	1.02639296187683	0.28388928317956	4.33860747666362	3.67143969663584	1.28100068238636	109.169530267832	52.8268677632246	0.734990396322126	14.6801385898461
"C84371653"	"84371-65-3"	"Mifepristone"	"DSSTox_23322"	49.6649644002334	83.1177626633235	15.5092258901542	44.0643574992242	95.1196454948302	142.378048780488	144.979563697247	119.103522957765	123.32125646347	62.8726287262873	87.6216968011127	0	0.334918933407127	2.43094188134096	7.25260891977273	48.8007370851875	131.479404335894	90.7707214290755
"C84617"	"84-61-7"	"Dicyclohexyl phthalate"	"DSSTox_25021"	14.6170885068168	5.88866817917098	14.9982366869868	88.6138253764275	2.09899013621418	220.641194554238	12.0351502801834	26.1276791357812	6.23297373869456	20.7986688851913	1.87185025197984	1.44327118000779	0.97187944460612	1.83782810275455	12.0890669303232	20.3552991466023	66.4826713562977	20.1415458952558
"C84662"	"84-66-2"	"Diethyl phthalate"	"DSSTox_21780"	0	0	0	5.58662221744274	1.8473430189912	7.34430082256169	1.41119221411192	3.17192879642517	2.39063376332025	1.13960113960114	0.578871201157742	0.689501593684594	-0.1188971194181	1.10349784314093	13.7543124799298	3.72506266891393	2.62695480770572	5.59578255060293
"C84695"	"84-69-5"	"Diisobutyl phthalate"	"DSSTox_22522"	17.8123479385	2.95828477231445	10.6371992151193	57.5922731976544	8.22985850418712	81.040225467589	31.3537628903679	41.1172707889126	10.5014600382133	98.1848184818482	58.1241743725231	0.873422790294678	1.18829507220409	1.34235485481938	13.2546111811903	13.603886400132	4.13995210444268	6.29534121159833
"C84742"	"84-74-2"	"Dibutyl phthalate"	"DSSTox_21781"	11.9507416932876	8.78064398097329	15.6968677117468	75.1439177920052	45.7613215285831	138.54537366548	59.3373493975904	46.8286445012788	26.4024872501159	75.8842443729904	68.6416184971098	0.817940373046672	0.626019143695717	0.629015509240816	13.5060483589594	8.19357974635102	5.56062686997027	6.80357302866252
"C84753"	"84-75-3"	"Dihexyl phthalate"	"DSSTox_25068"	0	2.21659653523162	15.2258173238962	15.0242041953939	0.459065420560748	59.4728883128106	9.25843891202268	20.9044762344255	5.34031822979788	12.1045392022008	1.77777777777778	1.18750734921147	0.599254588290187	1.81537088027214	20.1753617801308	10.3271725985374	7.92663027208314	7.30790306574636
"C84852153"	"84852-15-3"	"4-Nonylphenol, branched"	"DSSTox_29055"	67.145352473416	86.8601687049203	63.8074601454883	136.705254589853	110.525771061892	154.340362923001	128.016055045872	76.3878229726273	89.482556435063	106.660823838738	93.7901498929336	3.40291625314421	3.1251534387609	74.000374548143	84.2247036524036	86.2184883321989	12.1187221111722	31.9141359142669
"C85018"	"85-01-8"	"Phenanthrene"	"DSSTox_24254"	0	0	0	3.62991096444804	1.29327124093485	39.536231884058	7.57897934386391	14.5939806927882	9.34973335627043	0.179533213644524	0.305576776165011	0.569576010015682	0.531401040814229	2.06726336498465	15.2002705036337	10.2958116911126	5.58934837405679	1.05109680885257
"C851916422"	"851916-42-2"	"MK-812"	"DSSTox_47335"	0	0	0	2.27093102903209	0.750686285989358	-0.353798126951095	4.80284613104062	1.3477088948787	2.75399543378995	4.51977401129944	0.710227272727273	0.410759896644398	0.384896496096516	1.73529709271117	4.81245702921082	5.20733793833728	2.23645561066324	7.47651608785179
"C85264331"	"85264-33-1"	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	"DSSTox_32513"	0	0	0	2.11921912516964	1.32662008881849	2.12694125590817	5.63689604685212	1.31713554987212	4.96086399214553	0	0.145878920495988	0.573073422167135	0.174449545829716	0.811426266942068	4.11565189862801	14.1554374263649	2.89717330326209	9.40710928427844
"C85405"	"85-40-5"	"1,2,3,6-Tetrahydrophthalimide"	"DSSTox_26513"	0	0	0	9.10746812386157	38.3397341211226	0.471175166297118	1.66012677331724	2.69521410579345	1.79909042268593	4.8780487804878	4.45062586926286	0.200501024629186	0.190875985089336	1.53614763100965	2.90786037930255	15.0297442303761	9.20457835586804	9.07657469261343
"C85416"	"85-41-6"	"Phthalimide"	"DSSTox_26514"	0	0	0	2.58227848101266	0.866440041662374	1.83163737280296	0.0849355262141912	-0.0676704449331755	0.73307733807242	0.888230940044411	0.127226463104326	0.0836137173587853	0.173975866498322	0.631647853010647	13.4990689127374	7.90532644338242	10.7693928669039	2.52571958627014
"C85507795"	"85507-79-5"	"Phthalic acid, diundecyl ester, branched and linear"	"DSSTox_29565"	4.71560264482206	21.7986348296333	9.46554725094707	4.59766838639797	2.58300125431518	16.2221250546568	2.22552284215317	0.388076954834447	1.05644637423502	0	0.148588410104012	0.124835774847625	0.133601506280941	2.27173331414637	2.91488560181394	40.7756682759757	22.1375334145327	10.4554728522897
"C85509199"	"85509-19-9"	"Flusilazole"	"DSSTox_24235"	0	0	18.0163060136088	2.35798753465886	0.0719610834460723	7.88643533123028	1.89136026630353	3.66965329178029	3.4599237562129	5.52995391705069	6.1624649859944	1.46040519371722	0.514398818482947	6.19251906318919	14.3312038955433	10.7282521108112	51.2748399051901	47.2891183991849
"C85532758"	"85532-75-8"	"PK 11195"	"DSSTox_41097"	10.0160087098842	5.54212753124419	12.2982641007154	1.6366258111031	0.923233868910992	4.00478182904962	4.71460733677659	9.2012301554318	3.81004969630039	3.3201581027668	0.29673590504451	0.27691018180682	0.059156485293709	2.65488508033925	4.96125045863091	13.753530005538	25.5078091399048	5.3919734472581
"C85687"	"85-68-7"	"Butyl benzyl phthalate"	"DSSTox_20205"	6.10482154425148	16.0269531186506	19.8391383410267	104.232405137553	70.4796268304972	131.786395422759	91.8526100307062	58.8698884758364	56.4060301507538	105.680119581465	106.428571428571	1.22615097989768	1.82698114878981	31.2570970105116	86.8148574313812	56.7850030933461	0.990526594972579	1.40948814686223
"C860220"	"860-22-0"	"C.I. Acid Blue 74"	"DSSTox_20190"	0	0	0	2.22736321084629	0.0589866100395211	1.95729537366548	3.10880829015544	0.715015321756895	4.4967274013798	0.482315112540193	2.16763005780347	0.398988016784001	0.4160654259635	0.299911351448822	5.26444192486899	21.4492494414758	9.39281887811883	31.2164374956358
"C862243296"	"862243-29-6"	"AVE9423"	"DSSTox_47375"	0	0	0	1.0020538992967	0.683231627200794	5.51234359147784	3.83835348907083	2.49886415265788	0.288089554695861	-0.166112956810631	0.307692307692308	0.000731033732835703	0.108621904348767	0.517962185127209	2.17757027052046	11.3522182652803	5.13467851172737	5.47884887172664
"C86306"	"86-30-6"	"N-Nitrosodiphenylamine"	"DSSTox_21030"	6.38286200181035	5.30663269980406	15.9816925088735	16.6867861454174	1.55286270571404	35.4799216454456	28.466796875	36.9421371251584	14.1592512333441	2.0891364902507	0.549450549450549	2.67337592987958	1.84238953398438	2.18914269844287	13.4496801731224	11.3632853971627	3.1656057981904	8.16185334054793
"C86386734"	"86386-73-4"	"Fluconazole"	"DSSTox_20627"	0	0	0	0.189259522119707	0.191603822250608	0.52910052910053	1.45862346991131	1.89462756293797	-0.573878627968337	1.54083204930663	0.13986013986014	0.292406096305295	0.155011843317383	0.623658101640722	4.36312146124801	6.09767467519002	6.08470988228336	8.66792335503903
"C864283487"	"864283-48-7"	"GSK232420A"	"DSSTox_47312"	0	0	0	2.33553218042432	0.518124881381666	4.14564597499452	3.55201159840522	2.76078690692677	3.77985275632968	1.0752688172043	0.412654745529574	0.678071905112638	0	0.937436241580259	7.00680222374647	15.0937738901322	3.76765519193234	16.6643025097764
"C86479063"	"86479-06-3"	"Hexaflumuron"	"DSSTox_32620"	0	0	0	0.759539563128795	0.029066950876853	5.36544148711449	2.80800547903508	1.49889675112227	3.63389370011886	9.11854103343465	0.483968542044767	0.795257138782316	0.18216589482111	6.22877634199389	31.302648608697	14.608332634694	7.04322039375389	1.27581709200722
"C86500"	"86-50-0"	"Azinphos-methyl"	"DSSTox_20122"	1.89520014246611	15.0742087449689	13.5207659937793	0.579127762675807	-0.0206547557575132	1.50491400491401	-0.144224465713911	0.724575174674373	0.834460983310781	0.794912559618442	0.154798761609907	2.32550205208586	0.385910888437445	2.09423051005748	1.01589769254709	22.9210668162554	29.3041853543247	51.345274574877
"C86737"	"86-73-7"	"Fluorene"	"DSSTox_24105"	0	5.98991042323617	0	0.409971254889025	0.534791551698189	3.14073363701751	2.25201994155063	-0.37399309551208	2.90947777418012	0.448430493273543	0.418410041841004	1.47195176928831	0.901363482003831	2.23241187688542	2.73234311906774	27.6996602657291	3.65523499401353	7.85569200308781
"C86873"	"86-87-3"	"1-Naphthaleneacetic acid"	"DSSTox_20915"	5.78380453893256	14.8718488279113	15.6979993293842	0.623620220120212	2.44981637438976	1.10255248451895	1.22041970531329	1.72905187155615	0.174216027874565	0.29806259314456	0.279329608938547	0.686385256691191	0.311739632521577	0.175462511166434	4.27963672943596	3.29827974966852	0.61751987789601	1.89568453009291
"C868859"	"868-85-9"	"Dimethyl hydrogen phosphite"	"DSSTox_20493"	0	0	0	-0.480517626908987	23.7871441744252	3.42741935483871	72.4463688250344	38.7664903234447	79.9618993861568	65.6172328086164	86.6715222141297	0.185611041134281	0.118796048055127	0.381194451954376	4.7241541871001	34.2819469811336	6.96985893833723	13.1432245623816
"C87014"	"87-01-4"	"7-(Dimethylamino)-4-methylcoumarin"	"DSSTox_41422"	4.21735455180271	4.66691332141168	7.39348370927318	1.03239587041652	1.18031475060016	1.16294263687443	3.83636054999151	2.03844879018893	1.26476092146867	0.291970802919708	0.808625336927224	0.301994345907131	0.329212090759807	77.8183366542111	8.06124937368877	3.80633127986953	1.89661655328439	5.22078246429838
"C87183"	"87-18-3"	"4-tert-Butylphenyl salicylate"	"DSSTox_37745"	0	0	0	11.239553804808	102.769463539782	37.5767560281564	23.4237265325348	15.1327899027084	12.9154568744663	3.7821482602118	11.0795454545455	2.78769982932352	1.75090899515366	3.43240776171004	57.7859920153234	3.7080105401499	5.95330801288751	8.31784824881912
"C87241"	"87-24-1"	"Ethyl 2-methylbenzoate"	"DSSTox_40711"	0	0	0	1.99874224154431	1.11711909532567	0.597652081109926	0.0792634595451491	0.481866599036266	58.4438149197356	0.166666666666667	0.464756003098373	0.5085418302624	0.0163405645808034	1.56006168050071	0.507489317543714	10.5717746917978	4.48203749387491	9.09375107065711
"C872504"	"872-50-4"	"N-Methyl-2-pyrrolidone"	"DSSTox_20856"	0	0	0	1.33665312540951	0.288232591169222	8.87986070806732	1.64324173134746	1.67917113254734	0.700692041522493	1.58982511923688	0.263852242744063	0.43585823836371	0.184814963519976	1.37507207229801	1.95865974118093	8.88944150924968	7.15528911235738	2.82283020635536
"C87252"	"87-25-2"	"Ethyl anthranilate"	"DSSTox_25272"	0	0	0	0.467248131007477	1.07361963190184	6.88618842284072	3.41198438295705	2.23732184289029	0.645286184422792	0.145985401459854	0.269541778975741	0.0531999011450848	0.146575429246406	0.579690367822383	3.50450254102184	13.9836507299743	4.41346313380571	4.52490858613465
"C87392129"	"87392-12-9"	"S-Metolachlor"	"DSSTox_32431"	8.6520214521452	13.231404465613	17.06862332351	4.45065128298833	0.746511627906977	13.3499253359881	3.56761701478884	3.8150289017341	2.50307429886152	0.736377025036819	0.830564784053156	1.25689912972491	0.48139976233386	1.81068696598683	5.20196249835378	1.75972887768901	15.3597333370301	20.205823319434
"C87546187"	"87546-18-7"	"Flumiclorac-pentyl"	"DSSTox_32554"	2.75783684952376	11.554163972365	0	2.8759303417877	0.377601768281451	6.55379574003277	1.58232572025675	1.59010600706714	2.59568018188708	0.794912559618442	0.443786982248521	0.938478928976608	0.448539517138291	1.76074149968863	7.50788975690754	8.23629982633363	2.26808416289386	6.95436644387055
"C87616"	"87-61-6"	"1,2,3-Trichlorobenzene"	"DSSTox_26193"	0	0	0	2.55136365988718	0.704353575912066	4.86399262332872	4.70107307102708	2.40867762003509	0.754770052974544	0	0	0.698830465279434	0.139054269414409	0.546120350254153	5.49057174656503	48.0773250300991	8.03212851405623	7.01711459297237
"C87627"	"87-62-7"	"2,6-Dimethylaniline"	"DSSTox_26307"	0	0	0	2.43994466104893	0.379717060385094	8.36806668804104	0.750427223419273	1.79523640241735	2.05042948185093	4.81727574750831	0.354609929078014	0.197187413465986	0.0653869343042481	1.74787930944859	4.64408337086824	1.3856751885032	3.42450644167045	9.57629268161135
"C87674688"	"87674-68-8"	"Dimethenamid"	"DSSTox_32376"	0	0	0	0.439259739324548	0.136737374282579	4.50889592980745	1.04469943483473	1.714184208189	1.68559912055698	1.49253731343284	0.275482093663912	0.493504145543657	0.373308926177396	1.0173689771496	4.05570406561795	15.527289492817	69.4450758554123	24.540555057709
"C87683"	"87-68-3"	"Hexachloro-1,3-butadiene"	"DSSTox_20683"	0	0	0	2.90892476393542	1.68497563393078	9.13570108807226	1.46802325581395	4.7794659979348	2.0185708518369	0.300525920360631	0.151515151515152	0.583480228895612	0.571079872191908	0.158499625673332	3.68724830784894	33.2133984478456	1.84103281694197	13.4578194928716
"C87694"	"87-69-4"	"L-Tartaric acid"	"DSSTox_23632"	0	0	0	1.98324190728796	0.46689654034613	7.79856115107913	1.75411952312248	3.45217883418223	0.597225487890899	0.586510263929619	0.14194464158978	0.231296235249372	0.171875907812469	2.53327553884207	10.002183500002	21.1747338112394	5.77888724166922	1.67908006835774
"C877247"	"877-24-7"	"Monopotassium phthalate"	"DSSTox_42167"	0	0	0	0.454166280470849	0.590644663421584	0.767676767676768	-0.48820852296235	2.37849017580145	-0.0563213279976283	0.453857791225416	0	0.170090480966316	0.0375061342866279	1.84743978143153	1.27501990540764	10.8260391424056	4.91354308162517	4.92999199291644
"C87818313"	"87818-31-3"	"Cinmethylin"	"DSSTox_34456"	0	0	0	7.77512826071248	0.571007552035365	41.5073730202075	7.40409016271085	44.2402826855124	17.4213717317166	13.8314785373609	2.07100591715976	3.27661921869832	1.27270590315522	1.83201184634389	17.5640722964379	9.37210480484018	8.24534581074321	14.9509770334243
"C87820880"	"87820-88-0"	"Tralkoxydim"	"DSSTox_34973"	0	0	0	0.00240032644439671	0.217700293265684	2.94906166219839	2.4661757150197	-0.648370192734705	10.8922682301209	0.597014925373134	0.137741046831956	0.0105078298017067	0.197268668608238	0.570268967113781	0.96249367568961	8.85890873356344	1.23993181464728	3.19892443199493
"C87865"	"87-86-5"	"Pentachlorophenol"	"DSSTox_21106"	11.9999387953393	4.59150734377063	8.99416746116314	0.0626220208494497	0.0621430473766757	0.889248181083267	1.89510797708241	1.32743362831858	0.402022051506587	0.153609831029186	0.275482093663912	0.703581678118661	0.42701737142984	9.79405996729618	2.35031286980708	4.94238819660259	66.2965558379767	40.5572924507426
"C87901"	"87-90-1"	"Symclosene"	"DSSTox_26523"	8.72302679466916	12.6691534241775	0	1.53156260779579	0.498779303284068	6.02100947988726	0.212096833174868	1.08315565031983	2.56317819676268	0.66006600660066	0.396301188903567	0.25260959723208	0.222344523889818	1.7413915257791	10.1774921405376	27.5048898025155	7.75229668068896	7.10425746826373
"C88040"	"88-04-0"	"4-Chloro-3,5-dimethylphenol"	"DSSTox_32316"	20.2145278653042	42.7050007488724	22.2785382231405	34.3410429187155	1.72523237361143	87.4925074925075	30.5241521068859	135.734486774247	78.8062804310958	0	0.163934426229508	2.00834390309998	1.09490907766882	0.886268922039499	4.54221885477295	14.3747769686982	4.15012009145663	8.62755067364658
"C88062"	"88-06-2"	"2,4,6-Trichlorophenol"	"DSSTox_21386"	0	4.21833290278136	0	2.78664114018294	1.07513081827781	6.41142509875417	3.35752452348672	5.6391659111514	3.06697737352477	0.698324022346369	0	1.83484064485343	0.48123598895565	1.52914492472674	8.75217635314509	30.3108057581044	1.08062139292695	7.46246516701388
"C88120"	"88-12-0"	"N-Vinyl-2-pyrrolidone"	"DSSTox_21440"	0	0	0	0.612207037288974	0.3660225804205	7.2873613226017	0.950799879263507	1.64713595017619	0.461933276304532	0.318979266347687	0.126823081800888	-0.0210161612818272	0.0911266050069326	1.13945265400786	18.8198069512095	13.6639910212138	7.37026703748514	4.56294597303828
"C88186"	"88-18-6"	"2-tert-Butylphenol"	"DSSTox_26525"	0	8.92485359824707	0	3.83935193108563	0.489686897165752	15.3948535936114	10.8633462920854	35.1968796433878	9.70737317374452	1.42857142857143	0.27681660899654	2.75641335639443	0.448169052064125	0.603805188748627	5.67122435515549	8.06559885257876	7.48332740018272	5.79001992500406
"C88244"	"88-24-4"	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	"DSSTox_38864"	20.0979409490535	6.69910236822002	14.4279995147398	0.903571530370834	0.197485536270583	2.9532403609516	1.10872270618848	2.4026512013256	0.406986059926295	2.30263157894737	2.1291696238467	0.515837503997935	0.487051250772643	136.798105716211	9.68791618440552	1.00384050454742	74.5146029751696	109.278007982109
"C88302"	"88-30-2"	"3-Trifluoromethyl-4-nitrophenol"	"DSSTox_21788"	12.6006587252071	54.6953657563435	40.0244627484982	17.6945744496447	0.153229925535632	100.683816346467	-0.171453064723532	41.9346589092769	2.24221008673305	8.31477357089829	37.258064516129	1.84002639540892	1.70311415440405	10.6421142818146	5.98649449593758	21.7976715945745	14.3383369493498	96.9922118060408
"C88415"	"88-41-5"	"2-tert-Butylcyclohexyl acetate"	"DSSTox_36105"	0	0	0	4.99120597043305	0.158387329013679	3.35718216840947	3.2832301797819	1.54940711462451	0.00694251596778596	0.815660685154975	3.94736842105263	0.400040387675549	0.252577302661371	0.927418555393261	3.55447014374595	11.8193902812906	2.1285500882889	7.48223021269654
"C88584"	"88-58-4"	"2,5-Di-tert-butylbenzene-1,4-diol"	"DSSTox_41248"	2.58327119543074	25.5558815226476	16.0478187430835	1.32407347309665	0.246309661195032	7.06095353047677	1.03899800740108	6.13752455795678	3.32159942233054	0.90684253915911	1.13717128642502	0.984932551911059	0.709901386472997	5.18239080783914	0.979743914115324	9.4299914291967	76.9234710796316	101.097668277564
"C88608"	"88-60-8"	"2-tert-Butyl-5-methylphenol"	"DSSTox_26529"	0	3.21984680249063	0	13.103684075562	0.527813352338186	29.0224254300022	8.64655839133797	61.4908965991068	10.2727843195157	1.41843971631206	0.137741046831956	2.0724469189044	0.906413592780275	11.5507237363865	28.1623188885329	10.9334534150354	5.82841519968279	14.44663402049
"C88671890"	"88671-89-0"	"Myclobutanil"	"DSSTox_24315"	10.9705771639915	9.35561443869693	0	0.614401572868026	1.08497404480195	0.254276467868699	0.301550832854681	3.9894926941389	0.645891596750566	0.14792899408284	0.27972027972028	1.23846648613581	0.536049741426359	0.358627604640491	2.71822395778476	11.6304133617391	7.11771282423872	31.7705216184822
"C88697"	"88-69-7"	"2-Isopropylphenol"	"DSSTox_44391"	8.58816887735181	7.72735080300895	6.75138312586445	2.36002543292067	2.00076395200274	16.9718884871107	2.17771269308895	17.8474114441417	3.11927849732149	0.716204118173679	0.852272727272727	1.20113291003877	0.167958199090924	0.322004610350756	2.82194417450288	4.14005788215315	2.21672654807489	1.88091965044282
"C88722"	"88-72-2"	"2-Nitrotoluene"	"DSSTox_25791"	0	0	0	0.729700357087409	0.894097804525113	2.00553250345781	1.49889286322603	2.37677460520019	0.961042614035911	0.596125186289121	0.802139037433155	0.314558844850266	0.123587567359432	1.14182197863251	6.80845259803744	2.60108127299021	4.33832391862185	5.56750915035839
"C88744"	"88-74-4"	"2-Nitroaniline"	"DSSTox_25726"	0	0	0	2.52660612526346	0.361606109696829	6.70446964643095	2.47676355235588	2.51427723800341	3.241219468711	0.168350168350168	0.15015015015015	0.287580463673117	0.501350613908477	0.731829512653716	2.6307252025441	7.25781406651817	4.89921184506717	3.6535365025909
"C88755"	"88-75-5"	"2-Nitrophenol"	"DSSTox_21790"	7.83299946750514	3.89619536838014	92.6805535534093	1.17245061398825	4.99941458845568	-0.0484966052376334	3.40538210480941	1.1150087697319	0.85338101430429	1.42602495543672	4.71037555697008	0.222987437173179	0.05664701469351	0.955860316321853	4.8734419519476	23.176830741278	7.07545389449156	11.3500282349676
"C88857"	"88-85-7"	"Dinoseb"	"DSSTox_20207"	5.24245312752235	8.02281853881481	22.7606461086637	1.94069243906226	0.31528207683683	0.852927616413097	-0.204394481349004	-0.430690700271174	-0.745394027471754	0.29806259314456	0.401069518716578	1.4740171884541	0.346673675762373	8.14636961535953	2.88740025685718	16.8206923333664	59.0488071544421	106.046964872904
"C89043"	"89-04-3"	"Trioctyl trimellitate"	"DSSTox_47533"	6.04319518931367	4.38405994869116	13.8242386854355	2.57852789498359	1.09266454727423	7.28363324764353	0.35485191756517	0.60162176301334	0.663735169667303	3.96551724137931	0.282485875706215	0.215110834497431	0.066937004968378	0.300453249748734	3.65351573303021	21.4933197638419	22.909093021903	7.81905607229224
"C89714"	"89-71-4"	"Methyl 2-methylbenzoate"	"DSSTox_48208"	0	0	0	9.44703530979347	1.52571278142133	2.09065679925995	0.702648444135588	-0.253764168499408	0.917140046333027	0.148038490007402	0.254452926208651	0.272056140071065	0.102484611355898	0.851931321752085	2.47451249176834	7.73149008096064	9.72799849489536	5.98595148632027
"C89725"	"89-72-5"	"2-(Butan-2-yl)phenol"	"DSSTox_22331"	0	7.82341252062261	0	1.06553512494107	1.22752420470263	10.0785340314136	9.16784203102962	8.3000307408546	6.33867376784389	0.896860986547085	0.254129606099111	2.53493114907804	0.73859625429995	1.4629709414056	12.3142529941602	0.945318904269572	4.9830548599634	2.23256528375753
"C89781"	"89-78-1"	"dl-Menthol"	"DSSTox_20805"	0	0	0	2.00871560815863	1.0555852485302	1.90104166666667	1.36237339786681	1.44113595422274	0.304492113996374	2.20183486238532	0.146627565982405	0.478270357249399	0.0535810402048469	1.33715615583271	10.9675080154034	17.8364627435347	2.69415624706789	10.9166074261689
"C89838"	"89-83-8"	"Thymol"	"DSSTox_34972"	0	4.43293719106162	0	4.81237712625011	0.0905588391321355	18.2233834095362	5.1508120649652	54.9295774647887	11.8378797386586	0.141843971631206	0.413223140495868	1.44867192409147	0.145644366239297	1.71093776178178	7.20447158829934	8.16960131823146	4.98724851232646	21.4308658777461
"C89872"	"89-87-2"	"1,3-Dimethyl-4-nitrobenzene"	"DSSTox_25135"	0	0	0	0.293024959447438	0.191550968891528	2.0185898037743	1.22047689004407	1.60532772520154	1.00446428571429	0.644122383252818	0.277392510402219	0.620823862377337	0.148098638989136	2.11772382508301	36.9106870850611	73.013308871238	4.47362722059182	3.69784997150933
"C90006"	"90-00-6"	"2-Ethylphenol"	"DSSTox_22479"	28.5602895986829	10.7073307857149	11.0958580580403	0.57617148152625	1.82584870927694	3.34749362786746	2.231953665772	3.7911839927787	2.03300495701826	0.417246175243394	0.464756003098373	0.390953539483222	0.110581779943868	1.28040027088829	8.93506055492181	2.26450493094603	0.890413982039406	11.8817232969386
"C90028"	"90-02-8"	"Salicylaldehyde"	"DSSTox_21792"	0	0	0	0.709338229157974	173.202577356086	0.424659540196224	56.4806368687288	-1.06149111236731	0.67311154815656	0	0.153374233128834	0.421300956616717	0.622655487774342	2.97483898633075	38.1387433054559	68.8736901017054	28.595304165837	7.31839134461939
"C9003116"	"9003-11-6"	"Pluronic F-127"	"DSSTox_47597"	0	0	0	1.75995765515416	0.683832352643525	3.30132842299093	1.5942272193321	2.72007912957468	2.43737990088663	3.9349871685201	0.141043723554302	0.0867233516555655	0.167073144327049	1.4743797368413	1.71131094297348	6.72175082386368	6.30267097286425	18.9356975233426
"C90040"	"90-04-0"	"2-Anisidine"	"DSSTox_23877"	0	0	0	2.54711773519439	0.415141614876317	6.61375661375661	0.725646851865424	3.6248810450731	1.36543535620053	0.154083204930663	0.27972027972028	0.439847280544677	0.159262488869985	1.81053900109611	18.8069706109574	6.24477063174067	5.69965292455864	9.98470409451048
"C9004824"	"9004-82-4"	"Sodium lauryl polyoxyethylene ether sulfate"	"DSSTox_29298"	11.6976359521	90.5360150030618	110.462570522357	14.7803372120636	20.9659112169932	9.97673817523908	23.6256368999732	3.7237643872715	1.9618588338448	57.0142535633909	86.8808567603748	0.059204151119911	0.0560737654774913	8.2096930692592	13.2112732294596	49.7529100456968	55.1693916756625	6.28837696377173
"C9004960"	"9004-96-0"	"Polyoxyethylene monoleate"	"DSSTox_27713"	0	0	0	0.873901686060318	1.89964202412283	1.18893771000258	0.49164208456244	1.43872714962762	0.734327049539675	0.150037509377344	0.535475234270415	0.444732359087354	0.126752857840043	1.54408396973761	2.85748350588819	3.50633064344171	17.8693901893544	9.4946984472669
"C90051"	"90-05-1"	"2-Methoxyphenol"	"DSSTox_23113"	6.28693070630126	9.36554621848739	8.52602207934005	1.37629891664824	-0.166708899587896	3.84615384615385	1.13700096874522	0.344234079173837	3.23787777883487	0.165016501650165	0.459418070444104	0.228183201998916	0.136126436949225	0.0822526458793629	2.61289494784506	9.51811705295221	1.26326148538977	2.2648752209573
"C9005656"	"9005-65-6"	"Polysorbate 80"	"DSSTox_21175"	0	0	0	0.264241674006713	-0.1191480246864	2.93403926759321	-0.244573524915928	1.29292367579591	2.71775665034092	2.0979020979021	1.03168754605748	0.513693071157706	0.146099376373176	1.56084142563852	4.55946609431446	0.808956554696629	28.8691521732939	11.4332628584589
"C90120"	"90-12-0"	"1-Methylnaphthalene"	"DSSTox_20877"	0	0	0	6.83939582508344	0.060081711127133	-2.33080595338387	-0.208671458381638	1.23244482659788	0.616478423255186	1.04529616724739	0.297176820208024	0.203796966577393	0.650604141264099	2.5298128135073	3.70512607376212	3.51049362222019	6.04700082485471	7.77121226824133
"C90153"	"90-15-3"	"1-Naphthol"	"DSSTox_21793"	0	0	0	10.0695875663749	19.8303193987788	45.4106280193237	155.310748853795	68.5571453197724	87.7628854745559	0	0.287976961843053	2.2863877687748	1.2357024238626	4.23456827344843	7.05034663429921	9.92649543052945	1.39056766969853	21.5030079726986
"C9016006"	"9016-00-6"	"Polydimethylsiloxane"	"DSSTox_23833"	0	0	0	8.99210957272592	4.85800081433225	3.648	3.11522872032426	1.53324117129572	1.02652346763188	0.3125	0.501672240802676	0.232746820996349	0.201458147748704	0.382332554602145	3.62761496859531	13.0025906682742	8.54769869650479	12.8715217987307
"C9016879"	"9016-87-9"	"Isocyanic acid, polymethylenepolyphenylene ester"	"DSSTox_47473"	0	0	0	2.962191128312	4.52519248953127	1.71981368685059	4.62333423986946	1.6626057044575	1.78294809100021	0.150715900527506	0.243605359317905	0.193402994976314	0.000898968794826186	2.06849138298393	1.60889414674338	3.95477574029905	5.14795866945699	6.40992725322899
"C90302"	"90-30-2"	"N-Phenyl-1-naphthylamine"	"DSSTox_25892"	10.1711661761988	12.3563248526543	17.4203373945642	2.27933813361308	1.86325414694665	12.2163506372397	6.95745661188758	-0.198989744374712	5.57112296242731	8.58433734939759	0.434153400868307	2.63321086177081	1.2895906340276	13.106685477283	52.7570123394262	22.4092317355124	14.5164843233718	3.62255226770328
"C90357065"	"90357-06-5"	"Bicalutamide"	"DSSTox_22678"	20.4665033856793	64.5973222734867	98.781197465408	7.78688524590164	15.3264401772526	5.40465631929046	51.2224569876245	16.4735516372796	30.8855002675227	4.516711833785	62.1696801112656	0.433884052242387	0.104362932909463	0.970765380057985	4.70237241422987	6.08584610418928	35.7753954137768	31.8250436987586
"C90437"	"90-43-7"	"2-Phenylphenol"	"DSSTox_21151"	3.28937983108309	1.540447442069	0	9.68679953958926	0.579984977034565	41.3213885778276	4.18213916113715	24.7414335821567	5.52706143969011	0.574712643678161	0.288808664259928	2.76613805171685	1.11579480278694	0.852620876464424	15.582242556036	7.81056545179561	1.37079948294037	16.6318840339549
"C90722"	"90-72-2"	"2,4,6-Tris(dimethylaminomethyl)phenol"	"DSSTox_26548"	3.75987893954464	2.38768231258494	4.71113198684829	0.117458622530699	0.257581079498888	0.824442289039768	1.06533653550095	1.89175645201704	0.373862158647594	0.17825311942959	0.127307447485678	0.508665628343082	0.315835821571735	0.840835617675862	9.49859190357646	25.1774568744801	3.45438578505578	2.79484945519968
"C90823384"	"90823-38-4"	"Denatonium saccharide"	"DSSTox_34361"	0	0	0	7.7698087431694	7.9645494830133	5.79268292682927	21.7869000905524	2.87153652392947	35.5872124130551	1.6260162601626	11.5438108484006	0.247826402952544	0.086182910625893	0.922924434362165	9.18109793830756	19.7777953160886	3.69411445059214	6.86744518557396
"C90948"	"90-94-8"	"Michler's ketone"	"DSSTox_20894"	5.92269851349179	10.6471698260334	23.771801918008	0.517657885655125	-0.283770445572476	-1.43915343915344	0.512607370462733	1.16593203469359	-0.192046091061855	1.00853374709077	0.295420974889217	0.647577875991376	0.12059396232491	11.1068838034979	20.284054958224	18.4826569005702	36.2192785904519	2.85739662316931
"C91082176"	"91082-17-6"	"C10-21 sulfonic acids phenyl esters"	"DSSTox_47526"	0	0	0	0.364007484266032	0.289026561094345	4.18760469011725	2.05113796010115	2.2989383640113	1.61559516656653	0.493827160493827	0.391644908616188	0.866694936953065	0.181273434010854	0.463820899002374	3.68070015619551	14.0563716300328	13.8800793793404	4.08815394670156
"C91203"	"91-20-3"	"Naphthalene"	"DSSTox_20913"	0	15.6344037960802	0	3.76033981667784	-0.103833434365866	4.33044636908727	0.589147286821706	0.656960227272726	1.46301815226226	0.478850758180367	0.135135135135135	2.16700751806002	0.281388953383284	1.34156792145647	1.4817432182842	2.673511144426	5.03943316455628	7.14937419955533
"C91225"	"91-22-5"	"Quinoline"	"DSSTox_21798"	0	0	0	-0.0020952500680954	0.00487590813789051	-1.8859927950837	-0.539065165472535	-1.94795539033458	-0.639195979899499	0.149476831091181	0.142857142857143	0.329571879313754	0.012169492046749	0.947082592813503	7.56928156424825	20.6742320573129	3.28475651015273	5.68727547338839
"C91465086"	"91465-08-6"	"lambda-Cyhalothrin"	"DSSTox_32559"	0	0	0	1.45891131732517	0.476156121491956	4.1005291005291	5.97817964429831	2.92418140430748	3.0661003451022	0.297176820208024	0.134408602150538	0.632572253072436	0.290822242956189	0.963185464736849	3.59748605906183	17.5246730490077	30.6557015933622	11.6288405592171
"C91532"	"91-53-2"	"Ethoxyquin"	"DSSTox_20582"	0	39.1520422425842	0	0.491874727601021	0.0360443489669691	5.50724637681159	1.48845686512758	2.86363267623915	1.76328917942543	0.538599640933573	0.611153552330023	2.19424687318505	0.695520875868852	4.75099129792692	6.88904041763604	7.46366222566553	4.90142354385435	1.49976349553779
"C91598"	"91-59-8"	"2-Naphthylamine"	"DSSTox_20921"	0	0	0	1.12659546756968	0.307964124019975	5.32724505327245	2.40263819095477	1.08869211786907	4.03793707005332	0.386697602474865	0.138600138600139	0.895535775302483	0.3256335272378	2.16433385173665	22.3254067827471	9.22733148171693	3.34657002007844	4.94013556788741
"C91623"	"91-62-3"	"6-Methylquinoline"	"DSSTox_20887"	0	0	0	-0.06463684300051	0.0937900761167079	-1.71691792294808	0.0842933408260748	2.11563430840907	-0.56746111222378	0.329218106995885	0.130548302872063	0.201489921287776	0.0811100893712862	2.33155787332478	3.04991529323845	7.50112230134513	5.94696903886946	3.44602147635488
"C91645"	"91-64-5"	"Coumarin"	"DSSTox_20348"	0	0	0	2.77908418487323	0.345048646202579	6.36108512628625	2.6452236576149	2.34672924611323	1.82656499379323	1.46842878120411	0.560224089635854	0.370742517184874	0.0811367627254034	0.835268015157662	4.06467519012762	9.76196247580675	4.42481750880402	8.05751938657299
"C91667"	"91-66-7"	"N,N-Diethylaniline"	"DSSTox_21800"	0	9.67914105028392	0	1.6400176030512	1.86616822429907	6.11363145387773	5.94489235403562	2.72265805260729	5.69998827162907	0.137551581843191	0.148148148148148	1.08691468079915	0.180678057739189	1.86197650637011	25.6194601526565	16.7752176327906	7.6770155398147	4.78584637859826
"C919302"	"919-30-2"	"3-Aminopropyltriethoxysilane"	"DSSTox_27333"	0	0	0	0.852367071325782	0.905276468559605	3.01393232868923	6.04708416679489	1.24656907593779	4.51534764013474	0.435413642960813	0.136054421768707	0.203957278045747	0.0710147190278491	0.527493497482135	7.09957719860896	10.0854337977996	9.65952118942241	1.58904834144271
"C92046"	"92-04-6"	"2-Chloro-4-phenylphenol"	"DSSTox_22353"	13.0373528366839	24.7428110419108	20.5513784461153	29.3342826628693	1.26922734951543	107.735528550895	8.21592259378713	90.4043752071594	13.2670839517326	14.4525547445255	24.2587601078167	2.56662508570233	2.10394669455459	18.3054986706643	79.7069697852678	86.362844471203	22.6769870858712	5.20570661771005
"C924163"	"924-16-3"	"N-Nitrosodibutylamine"	"DSSTox_21026"	0	0	0	1.70539815362227	0.702189178025609	4.83870967741935	4.41062276751048	0.508570352232061	3.82243142347021	0.285714285714286	0.365408038976857	0.655439042103163	0.441329812261987	0.749312968301307	3.20144634407254	16.0309412203902	4.37147613704552	8.40512674350191
"C92524"	"92-52-4"	"Biphenyl"	"DSSTox_20161"	0	3.4218406093611	0	2.25970304766866	2.38518827527821	17.0776255707763	3.01507537688442	7.75148787922775	3.83441201611918	-0.0773395204949729	0.138600138600139	1.36628167145216	0.65979111409133	1.18515155888754	3.39438735136529	18.6525411138097	3.58386787860782	7.38479377634642
"C92682"	"92-68-2"	"4-Cyclohexylcyclohexanone"	"DSSTox_40721"	4.7087785206307	4.19426680811382	15.1635254988914	2.48134239672957	0.486681065514759	21.6537966390068	1.36162687886826	5.61325420375865	2.05498472646487	0.32626427406199	0.292397660818713	2.51073950943776	1.74037978323024	0.755342884363113	15.8771362199883	95.3877429948766	8.29465474911288	2.33460411273342
"C92693"	"92-69-3"	"4-Phenylphenol"	"DSSTox_21152"	-76.9999826126267	75.5829723208094	53.2641210628189	96.3911657559198	120.067946824225	187.222838137472	252.405674615152	154.282115869018	172.284644194757	57.0912375790425	60.2225312934631	2.72181273149266	2.9232218478287	71.0732341614875	169.126296372203	114.870391693792	18.1653283589113	5.55388927574458
"C92842"	"92-84-2"	"Phenothiazine"	"DSSTox_21126"	14.6588436969105	1.69850381104733	13.0802609354068	-0.47665229143883	1.16419521472077	0.400848856401795	0.0357372596669296	-2.40044019533668	-0.0657408168296492	2.61538461538462	0.141643059490085	2.81955516011754	1.82014712362808	0.91400841317459	30.6786256568933	24.7707795982687	1.18171484512331	1.98549240131963
"C92875"	"92-87-5"	"Benzidine"	"DSSTox_20137"	0.270011607616445	13.8123155769529	26.2449764109733	2.94349126396978	1.88211243611584	9.07630522088354	6.58392613894355	4.0090557494576	9.29284299638849	0.279524807826695	0.416377515614157	2.86538423000283	1.14533186784615	0.110777036874526	36.101816315117	3.32114484659442	4.44827072043764	0.864245761763508
"C928961"	"928-96-1"	"(Z)-3-Hexen-1-ol"	"DSSTox_22137"	0	0	0	0.841863579833541	0.509823726041893	-0.158730158730159	0.373636227768645	1.10313430222378	-0.0331829041677735	0.297176820208024	0.403225806451613	0.163379915346715	0.028167915618021	1.52661247054136	6.88652137930437	14.7788876082517	8.18994003826309	5.22552698516196
"C929601092"	"929601-09-2"	"SR58611"	"DSSTox_47360"	0	12.7294284593984	0	1.61998805214886	0.778036414655145	7.04931735859571	2.37309445230237	2.49656621152137	1.92480491842043	1.6366612111293	2.25903614457831	1.85475047679868	0.373733625215171	0.717763071056738	6.68049381316395	1.6283316066766	5.00541624430236	38.9674651102743
"C930552"	"930-55-2"	"N-Nitrosopyrrolidine"	"DSSTox_21062"	0	0	0	5.29520439228748	60.8105762554964	6.8823660217923	17.7349164562403	2.2621078395016	79.7967552148333	0.336700336700337	0.15015015015015	0.414342726792073	0.632755812505156	1.77246317254913	13.3820593809893	14.2255839325551	4.25014072017871	9.59581620559839
"C93083"	"93-08-3"	"2'-Acetonaphthone"	"DSSTox_41389"	0	0	0	2.81318411522802	13.1096899160085	11.4180120599105	25.4794063698516	2.94049815498155	3.32000978872665	0.46875	0.991940483570986	1.8418801208213	0.298830357714375	0.791140388907158	9.67721027207308	0.840747124809876	4.73508030324087	3.63604297069728
"C93152"	"93-15-2"	"Methyleugenol"	"DSSTox_25607"	8.28713537174318	2.87211841638978	20.9770760759636	2.17215410468663	0.68615142047943	10.8555968887386	2.72665815368437	4.40708768741481	1.18528273932011	0.664451827242525	0.615384615384615	1.06771022769552	0.294887736769378	3.18591197011863	2.93152204664491	6.97633974027024	2.19860004864984	5.19591850294188
"C93561"	"93-56-1"	"Styrene glycol"	"DSSTox_42422"	0	0	0	3.18925491930135	0.748189541350475	4.36766623207301	0.667924335899658	1.40823032389297	4.74106491611962	0.495049504950495	0.306278713629403	0.0774709665224577	0.0903388279874647	1.70887177018742	0.877708394496707	13.4644953283932	4.56405575409589	7.03730252392085
"C93652"	"93-65-2"	"Mecoprop"	"DSSTox_24194"	0	0	0	4.25562238121027	0.20313245790274	4.41626585045912	-0.0694727259660311	0.189909999174304	1.18636534582379	0.153374233128834	0.297176820208024	0.195390634841885	0.122630388459947	0.386739634887523	5.86634068456589	10.8325059228896	1.82740400164078	6.72765234517365
"C93765"	"93-76-5"	"2,4,5-Trichlorophenoxyacetic acid"	"DSSTox_21388"	0	0	0	0.200899263369368	0.877762547194767	-0.476190476190477	2.06247197728292	4.83277884783751	0.796389700026546	0.148588410104012	0.403225806451613	0.312806236034005	0.104315518483106	0.865484570250511	2.23019539060914	8.72210944760712	17.8576693153139	7.88897423616784
"C938169"	"938-16-9"	"tert-Butyl phenyl ketone"	"DSSTox_48209"	10.6347673768295	6.1459612110557	14.0911225927666	0.751767213973146	0.430710870510135	8.76006065554649	1.04397940384525	1.11262488646685	2.58357632060758	0.53715308863026	0.142045454545455	1.16502261662948	0.481301174823354	7.23644718460523	51.3810387546	3.91267497769998	3.16815098706492	5.37297000297498
"C93890"	"93-89-0"	"Ethyl benzoate"	"DSSTox_38696"	0	0	0	5.71343104995513	3.81906300484653	7.52212389380531	4.44555444555444	1.61009573542211	4.27373010106348	0.495867768595041	9.61538461538462	0.68029938052878	0.064481196747761	0.609159441650392	15.6954950123144	2.23620937910858	1.01244596266756	8.27042293429117
"C93925"	"93-92-5"	"Benzenemethanol, alpha-methyl-, acetate"	"DSSTox_41636"	0	0	0	2.55727519831364	0.815853464536509	8.34797891036906	3.51573575276439	1.96798493408663	1.62280530246745	0.467289719626168	0.134228187919463	0.0892229809189303	0.00220689349875292	2.27448743348289	2.95649867893407	11.827291976855	3.8499562443325	9.09083131312981
"C93992"	"93-99-2"	"Phenyl benzoate"	"DSSTox_48210"	0	0	0	5.18916878950844	1.56621856306683	43.8896444530795	9.00083963056255	13.4528585757272	3.46189285244175	1.51745068285281	0.255754475703325	0.845697672267942	0.314108590428059	0.0541517787192535	6.78271165141745	1.33864305637475	5.0816181689141	1.61632655725329
"C94086"	"94-08-6"	"Ethyl 4-methylbenzoate"	"DSSTox_48211"	0	0	0	11.9840106595603	0.889331456237338	4.53283996299723	2.69477260443209	3.45119269159195	2.6054393703786	0.296076980014804	0.127226463104326	0.201464288289781	0.0855046688535459	0.872789119994462	3.24545924454225	20.3317000186834	6.0870669949967	3.3051601841908
"C94097"	"94-09-7"	"Benzocaine"	"DSSTox_21804"	5.0162415184639	1.86154197553936	10.3738267050079	0.115996585760872	1.10163548759246	3.63115865601928	2.50243743906402	4.25662226305313	6.13724038499006	0.291970802919708	0.317460317460317	0.703522532769599	0.25633975325978	2.36851666043722	40.1853269682482	12.1683537173542	30.9155953297446	6.40754065518395
"C94133"	"94-13-3"	"Propylparaben"	"DSSTox_22527"	17.6306802500203	57.3199115542679	45.1845298281092	112.450297148232	139.618372426276	198.362956033676	228.14834343967	135.626283367556	131.1757403795	13.9500734214391	22.2689075630252	4.43102361222478	2.78365662333636	54.3797433015228	183.888621138591	80.8011846050963	7.88274525617504	2.19151763411231
"C941695"	"941-69-5"	"1-Phenyl-1H-pyrrole-2,5-dione"	"DSSTox_41274"	3.45442750567628	15.3908546630587	8.72508747908109	2.07729238959928	0.803455723542117	3.97358282883875	3.90804597701149	0.964426877470357	0.242988058872535	12.3980424143556	52.6315789473684	0.21386190523438	0.201458147748704	10.0478909338756	2.44306451894234	9.39299474225528	83.2859429102256	73.1842403862379
"C94188"	"94-18-8"	"Benzylparaben"	"DSSTox_22526"	96.4492972221228	96.4596794563632	114.20895698639	106.599061601332	135.778915139606	199.207820664082	278.423312323011	122.140672782875	133.700458236193	0.142450142450142	0.154798761609907	2.95383276032673	1.95264641300606	30.2494510459675	115.858819979765	77.4246828693061	41.1258526820828	10.6159132256716
"C94268"	"94-26-8"	"Butylparaben"	"DSSTox_20209"	42.7834985650092	60.4998411357171	87.3522889943021	167.629304613748	57.4056705865378	175.648830503044	151.935435659842	126.282612502189	165.536932660931	1.04011887072808	0.916030534351145	2.41410236665005	2.62285469928247	42.1038694932626	158.608155240548	128.82653288833	33.5157441112661	4.43328947636813
"C94280"	"94-28-0"	"Triethylene glycol bis(2-ethylhexanoate)"	"DSSTox_26564"	14.5833492720471	17.5664558689363	22.0624908317442	1.38428262436914	0.3672532517215	4.18410041841005	-0.410541650112568	1.38808079128917	0.0552181115405862	3.63636363636364	0.29673590504451	0.52028598605889	0.0544323363682196	2.61533693232537	12.4944901747289	0.62316919046102	10.7828904550004	5.17971704628211
"C94361065"	"94361-06-5"	"Cyproconazole"	"DSSTox_32601"	3.81315467820268	2.42174428445779	0	2.21327967806841	0.915294724901418	23.2511658894071	19.5193798449612	58.7890625	43.978596586291	0.798084596967279	0.405405405405405	1.53330361883165	0.76689145265539	10.1049726691636	35.6678489580854	6.97798404685851	2.58342232624319	20.401760773872
"C94462"	"94-46-2"	"Isopentyl benzoate"	"DSSTox_47185"	2.50666905113188	2.89079675338883	90.9706701983831	14.5057460302322	0.144741074300418	37.0842399751321	6.81922899708186	4.76044696157968	2.7810419114767	0	0.434153400868307	0.461241289206312	0.336213707599695	0.472736414825308	12.7725174059964	16.0526169109904	3.8075068566009	18.5903764239025
"C94473"	"94-47-3"	"2-Phenylethyl benzoate"	"DSSTox_47590"	0	0	0	7.12087274602382	0.196162298491173	38.8611992146201	6.02768269087662	22.9210209639623	0.422138836772983	0.14903129657228	0	0.0230687039389438	0.0715963117700271	0.957202201165031	106.967175056557	6.46027569333346	7.52744642723161	5.7371205654886
"C94597"	"94-59-7"	"Safrole"	"DSSTox_21254"	0	0	0	0.858928639901837	0.25909475465313	5.12169312169312	-0.678858409531725	1.32233755154273	0.104024965991837	0.853374709076804	0.147710487444609	0.703762061953588	0.105106937491069	4.28292150691961	11.5722695693223	6.94274087068654	6.31898757565726	7.07964337124654
"C94600"	"94-60-0"	"Dimethyl hexahydroterephthalate"	"DSSTox_26566"	0	0	0	1.32384490607504	1.02605984111664	4.8540043188433	5.66165668437112	2.40448650543288	8.14112103174603	0.161030595813205	0.277392510402219	1.08272075037476	0.373178178950689	0.932423126663037	5.17286795776863	11.3160550640882	3.90819874529233	4.75680838941765
"C94713"	"94-71-3"	"2-Ethoxyphenol"	"DSSTox_42276"	5.83371588880388	5.11725382003395	2.5825346112886	2.08584133847628	0.324416206299686	5.55507409654216	1.64557714014139	1.28854961832061	0.85390260173449	0.310077519379845	0.289226319595083	0.230865916027627	0.495207847962828	0.90332068146668	22.9998575018054	6.18257029241562	6.08945918731928	2.49736216465786
"C94746"	"94-74-6"	"MCPA"	"DSSTox_24195"	7.78976131350068	5.32606073139627	0	2.28142076502732	0.210443407952546	-0.849056603773589	0.0661463156502183	0.429939417627516	0.276844708574802	1.28928283642224	0.147058823529412	0.374696299356562	0.281626535034832	2.26584465415626	4.05696870837295	17.0537830226949	6.98993223770424	4.17461304927525
"C94757"	"94-75-7"	"2,4-Dichlorophenoxyacetic acid"	"DSSTox_20442"	8.51288330196329	11.0264359408468	0	1.95762711864407	-0.0293744575739372	6.31600745495961	0.5320813771518	-0.555909960812904	1.08455148899126	0.741839762611276	0	0.12381165868031	0.244390424822002	1.76815856046085	3.24610753396568	11.2960234863412	15.116811719084	6.0567425482858
"C94804"	"94-80-4"	"2,4-D 1-butyl ester "	"DSSTox_20443"	0	0	0	0.1805369518374	0.377534133223004	2.94945539101701	3.33247885157652	5.19234811856212	3.0236634531113	0.242522231204527	0.423131170662906	1.11703488454889	1.79354912253258	0.999115223423986	10.3375077217182	24.1745935995541	3.04714476752748	4.00008911902113
"C94815"	"94-81-5"	"MCPB"	"DSSTox_24193"	0	0	0	1.46614069690993	0.169032665906249	2.90294627383015	1.09720073146715	-1.19634928465713	0.534657850612167	0.305576776165011	0.282485875706215	0.285430681403133	0.138796929394538	0.115896516912752	6.47216090292639	10.3524010482745	7.89927859428868	4.51935797716808
"C94826"	"94-82-6"	"2,4-DB"	"DSSTox_24035"	7.61720136876071	12.9432666349055	0	0.929937460346234	0.310047476019765	1.56316011829319	2.88410318849403	3.18800882599102	2.91220920359993	0.303951367781155	0.241984271022384	0.394224155651524	0.371610638705375	0.0623600470051269	4.91812062348467	6.2813305542442	3.57035055988086	0.991257779753832
"C94917"	"94-91-7"	"N,N'-Disalicylidene-1,2-diaminopropane"	"DSSTox_41200"	0	0	0	0.00263469898564177	-0.122010991417517	-1.31752305665349	0.145791915175613	2.8509619099127	-0.209828076350346	0.152671755725191	0.259067357512953	1.15231348394558	0.10736403709691	2.18902808843348	1.60328440844589	33.7628742046548	4.19441405551216	10.2755783519203
"C94962"	"94-96-2"	"2-Ethyl-1,3-hexanediol"	"DSSTox_25292"	0	0	0	13.4177215189873	1.31511176733166	4.56984273820537	0.27024940159061	-1.18423278633057	0.301482022150996	0.148038490007402	0	0.374978520205808	0.178145508247279	0.48314285077983	9.86144761747555	21.1795607329374	4.9653865239671	3.25874433137753
"C950378"	"950-37-8"	"Methidathion"	"DSSTox_20819"	4.35052372247179	11.4330192875339	3.94678121164789	3.97006293587345	0.661634754646437	0.293132328308208	-0.407417813992695	-0.45062247002215	0.453968889779023	16.7901234567901	0.130548302872063	1.14317933840832	0.605140382658786	0.458322261019619	1.37890074797624	16.4612382933425	6.56891093430333	2.53451420132969
"C95136"	"95-13-6"	"Indene"	"DSSTox_42052"	0	0	0	1.56499520919834	0.921424943771313	7.98162752404888	4.05750608922949	2.4	3.54236157438292	0.465116279069767	0.144613159797542	2.13495570048698	2.04343270563115	1.7499224701785	36.6983324111225	3.8891172578174	5.15075068464242	6.68102813732731
"C95147"	"95-14-7"	"1,2,3-Benzotriazole"	"DSSTox_20147"	0	0	0	0.438615485669437	0.112266172889906	1.37174211248285	0.427546190258055	0.162096295815468	0.471999030784304	0	0.230237912509593	0.21458776994933	0.181679139728948	0.661749546770991	1.72792090503736	36.3186710120899	5.23568524804539	21.2811446517745
"C95169"	"95-16-9"	"Benzothiazole"	"DSSTox_24586"	0	0	0	1.39507050155216	0.127764386665086	7.43030444418523	2.63120600878643	4.22343324250681	3.32270970366854	0.895255147717099	0.142045454545455	0.588801523659305	0.132427555108288	1.26329324901242	16.864606971039	13.0104329334538	9.79146438764004	4.96981514856591
"C95266403"	"95266-40-3"	"Trinexapac-ethyl"	"DSSTox_32535"	0	0	0	1.8033100545298	2.19560878243513	4.23280423280423	1.38992676729936	1.6634564874803	0.225643748340855	0.297176820208024	1.20967741935484	0.495833303430653	0.0804405876046464	1.00308447491623	2.26069396386279	16.4288340084421	12.445292234006	6.13810792609333
"C95385"	"95-38-5"	"1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-"	"DSSTox_36112"	6.72184405940594	15.0193649104839	6.17636509119002	5.03578455750395	9.06182881688982	4.63509185909321	37.6267470539874	16.085626911315	36.4418361604631	36.3247863247863	51.0835913312694	0.436744524289586	0.00271438469704336	69.7372592505937	1.0326294512588	8.85471967670405	48.2139973245338	14.1102089132633
"C95487"	"95-48-7"	"o-Cresol"	"DSSTox_21808"	0	0	0	2.42730720606827	1.48377270800295	4.07395800689439	1.52725981175635	0.720925820527415	0.101463980286998	1.22591943957968	0.858369098712446	0.700152253205488	0.282331564902282	2.01776347023169	8.8359365851749	8.02725188686472	4.23445396246182	8.77452229903547
"C95498"	"95-49-8"	"2-Chlorotoluene"	"DSSTox_23977"	0	0	15.8144323464262	0.891021247429747	-0.307094026326754	0.962379702537181	0.331875094282696	1.9137535085481	-0.652315720808872	2.25442834138486	0.274725274725275	0.702000887727683	0.112355493336126	2.34178764777836	1.02029301038076	3.85597988282731	4.62088649005298	4.94966550305705
"C95501"	"95-50-1"	"1,2-Dichlorobenzene"	"DSSTox_20430"	0	0	0	0.428265524625268	2.8405043676035	9.07597535934292	29.6459455049763	8.53604205649113	23.9734519728685	0.424929178470255	21.5503875968992	0.752451561235419	0.077707205940111	2.33661347919751	1.47885771749432	1.19954729272251	7.05724323207272	9.15024725678213
"C95534"	"95-53-4"	"2-Methylaniline"	"DSSTox_26164"	0	0	0	1.21936496438488	0.539202687174047	13.5230272807275	1.6887900479533	5.14525726286314	0.998185117967332	1.64203612479475	0.626740947075209	0.0499450430703282	0.0953040946520027	2.05593742948606	0.261827662710858	4.18978236720832	3.11870074465382	6.50985283789881
"C95545"	"95-54-5"	"1,2-Phenylenediamine"	"DSSTox_25881"	10.802116859124	2.41055366779932	20.2979437683592	-0.73442555595501	0.21531005442339	-2.76497695852534	1.62227420206746	1.11273792093704	0.636446291726197	0.452488687782805	0	0.537359445661266	0.310437275064586	6.27192671837778	11.2937451946934	10.2771745876198	4.05822239369731	8.02304635648465
"C95578"	"95-57-8"	"2-Chlorophenol"	"DSSTox_21544"	0	0	0	3.97281205542969	0.640099918035986	6.68054110301768	1.7195375037059	1.56824307767704	0.142694063926941	1.29136400322841	0	0.64630995633135	0.369349861231628	5.16091340577227	1.71792818778122	9.32008856833841	5.48593757691728	8.42604837119289
"C95636"	"95-63-6"	"1,2,4-Trimethylbenzene"	"DSSTox_21402"	0	0	0	1.18381628847403	-0.0503843840915373	4.13223140495867	0.00682360968952652	-0.282527881040894	-0.438190954773869	0.747384155455904	0.142857142857143	0.640861453754771	0.360943100448897	0.474302527537043	10.3802134747207	22.0310955309199	4.05983520335551	8.81888011846509
"C95658"	"95-65-8"	"3,4-Dimethylphenol"	"DSSTox_24062"	13.19135609145	40.6061122732926	17.1576397404073	2.62931498010539	0.0992399820011958	19.3889541715629	10.7704785077048	13.6766537250018	12.1144139091419	1.13960113960114	0.289435600578871	3.04748440357365	1.30345186382833	1.72269280847887	2.55434841277007	11.0878587761861	1.31052729422289	7.29868736801526
"C95737681"	"95737-68-1"	"Pyriproxyfen"	"DSSTox_32640"	6.62023025565373	10.5978284676329	0	1.50424034830696	0.696461154943332	10.3984909219524	1.75112572367951	5.50931976064379	3.18021201413428	4.15384615384615	0.708215297450425	2.64211561140804	0.806732131182014	2.01785662903322	31.6426626213558	6.36112226014018	26.8444325915707	1.41349730841879
"C95749"	"95-74-9"	"3-Chloro-4-methylaniline"	"DSSTox_20286"	0	0	0	0.702664465927847	27.2075025528027	5.33718447821173	24.3451463790447	1.4055688995641	4.11688498632503	47.65625	0.283687943262411	0.265939792789204	0.312534171246501	0.153122866223749	2.54354159553465	8.07567777877233	4.16680607275621	11.9857819453565
"C957517"	"957-51-7"	"Diphenamid"	"DSSTox_24072"	11.9761097514426	0.630207587110106	15.9186610521827	0.940667349960141	0.900691160421971	5.02734168283648	0.946643717728056	3.22093262825355	2.50906801762643	6.98835274542429	0.212615166548547	1.24678325082105	0.303712202989631	0.55372328004513	1.32645125725834	21.298783652017	8.81997981953684	5.37675864440373
"C95761"	"95-76-1"	"3,4-Dichloroaniline"	"DSSTox_21815"	0	0	0	1.45051681800011	2.10582816342325	18.1388690050107	2.8073673715695	5.56101824538403	1.59325959349918	0.495867768595041	0.411805078929307	1.39800064487989	0.441358777434805	0.287768807257473	7.5257430288934	9.34926345475544	29.7536952424951	17.6196879575546
"C95807"	"95-80-7"	"2,4-Diaminotoluene"	"DSSTox_20402"	0	0	0	3.93296642137159	0.35209360273008	11.2029584511638	0.679142770902506	0.942391215274934	1.55688622754491	0.159489633173844	0.634115409004439	0.61079181761838	0.420861264758239	1.62004695407632	2.94968709803662	8.80074569221735	14.1544119481933	5.83368123337758
"C95830"	"95-83-0"	"4-Chloro-1,2-diaminobenzene"	"DSSTox_20283"	5.36906033101976	5.31446278280475	7.30521332420716	9.62843094541607	1.79275307308243	10.9908691241123	1.69007736798618	2.42616992276238	1.0618157873076	0.664451827242525	0.615384615384615	1.36871024946783	0.408898362181436	2.43200880227125	4.17669243083995	2.03110606036562	43.6764094771034	23.6979194023873
"C95874"	"95-87-4"	"2,5-Dimethylphenol"	"DSSTox_25145"	0	0	0	1.06726720845981	0.516967330751069	9.82793817439487	3.31875094282697	4.36335799948966	1.94762836641506	9.17874396135266	5.21978021978022	0.76467602894132	0	0.304914262930542	3.71118705262194	3.8238971916894	2.78281720547858	5.14629673705587
"C95932"	"95-93-2"	"1,2,4,5-Tetramethylbenzene"	"DSSTox_29124"	0	0	0	4.66470099039843	0.0629900736332238	10.1998974884675	0.269749518304431	2.7716095073608	1.04640582347589	0.427960057061341	0.316957210776545	0.202802139096308	0.0613434703869831	1.025363972017	15.9586352242411	6.2635666398278	21.4049879086257	2.48131147262341
"C95943"	"95-94-3"	"1,2,4,5-Tetrachlorobenzene"	"DSSTox_24320"	0	0	0	4.18853418017717	0.236990062761506	4.09792442788717	0.858179244448376	1.17103235747303	0.448124279800265	0	0.264550264550265	0.49857429269808	0.161510179189423	0.655179460662341	3.25884582766472	3.93473398118768	3.15195961877387	3.82518413719735
"C95954"	"95-95-4"	"2,4,5-Trichlorophenol"	"DSSTox_24359"	0	1.40834364888049	0	5.19884595802455	0.159216534486902	27.5484414490312	1.41432877347554	33.4861947071749	1.31845385411511	-0.0696864111498258	0.891530460624071	3.67326974886644	1.85173578141228	3.26333340333283	3.55365051342382	13.5190497938388	28.379927252875	8.55854451193227
"C959988"	"959-98-8"	"Endosulfan I"	"DSSTox_37539"	4.65379628295635	11.8157258982043	25.7181882270004	13.0310671297398	2.56402629465481	17.4647177419355	29.9219313783376	31.8154423089801	37.6067169971072	14.7473073736537	25.3459577567371	2.34036993983624	1.72401677013557	8.66177608175846	24.96902702127	19.1409779820135	36.0038601583365	27.0942578617253
"C960714"	"960-71-4"	"Triphenylborane"	"DSSTox_27345"	23.139536907573	53.599113978281	17.8104357109495	31.5795467486619	33.2993815933066	131.592873522667	110.531411359725	100.727971979946	86.9960130699362	27.4542429284526	15.5209071580439	2.67260794793849	2.84585697321769	22.206497131887	153.235221585639	42.3528074238007	23.2862401493897	1.61382746076011
"C96093"	"96-09-3"	"Styrene oxide"	"DSSTox_21286"	0	0	0	0.974414706478292	0.303345724907063	6.11456768933705	3.37905654064905	1.72733338275632	1.97345441844219	0.612557427258806	0.275103163686382	0.224488319994394	0.243920979879489	1.63900392798626	1.80535881553054	14.9545382513783	5.96469424374448	5.02057455832122
"C96182535"	"96182-53-5"	"Tebupirimfos"	"DSSTox_32482"	0	0	0	2.46523388116308	1.27651556783746	5.07677843936071	0.497247380571833	3.33902485296907	2.29501860172972	1.22591943957968	3.14735336194564	1.25291906174173	0.342429613293422	2.5296006797568	3.31303753023186	4.5579079240363	13.3138139257755	1.49423767424339
"C96184"	"96-18-4"	"1,2,3-Trichloropropane"	"DSSTox_21390"	16.117495124034	8.40165149119816	12.6346089593667	1.75052194461652	0.982173337509019	0.658579127050845	2.20047516687408	2.83722011011773	2.21438871975645	0.70319886542704	0	0.419839088418711	-0.0426171183708794	4.70244176785132	37.3489444364565	12.6111368889691	1.51237179521054	8.60028601955455
"C96231"	"96-23-1"	"1,3-Dichloro-2-propanol"	"DSSTox_25010"	0	0	0	0.415118281519079	0.654006394729193	8.02703844528939	1.33170991553154	2.47279920870425	1.00186788928511	1.21580547112462	0.362976406533575	0.120711475953977	-0.00769361758581935	2.62411585999848	6.83324230514797	13.6090772680159	4.39827884994587	9.07778808948986
"C96242"	"96-24-2"	"3-Chloro-1,2-propanediol"	"DSSTox_20664"	0	0	0	1.90446456447081	0.26196713503215	0.902191035371616	2.85864424592748	3.19938571794215	0.866437796305378	2.84191829484902	0.145666423889294	0.15427945181348	0.189555271680269	0.606372633144557	4.5409243754183	14.9934073319792	6.43247307287511	5.98284908798458
"C962583"	"962-58-3"	"Diazoxon"	"DSSTox_37523"	2.65654585096089	14.3043936970357	0	0.338047602621593	0.710104218622844	4.17627466051755	2.50859357858553	-0.230277185501067	-0.400158621435523	0.66006600660066	0	0.289254596049979	0.221927678048185	1.96117249145572	14.645468565943	16.2273282345591	7.41645044814216	7.87323442280739
"C96297"	"96-29-7"	"2-Butanone oxime"	"DSSTox_21821"	0	0	0	0.893971423477574	0.831277282216739	3.97016889668787	1.19608553823849	2.72772359067615	1.15819716286586	0.21505376344086	0.275103163686382	0.4550415465379	0.275820560789634	0.388960107789946	23.3119571129818	10.7387812062607	2.43047759585389	2.98081560304585
"C96413"	"96-41-3"	"Cyclopentanol"	"DSSTox_33371"	16.5922005535421	5.56619563398132	1.97458634244446	3.49742040304421	0.538356514113821	10.6252732837779	1.10797019859617	2.22112129469078	3.85312318369859	0	0.445765230312036	0.33934653600503	0.11379302520076	1.1691866890911	17.3595489742019	15.3245422175818	1.49801098635175	9.13500207835986
"C96457"	"96-45-7"	"Ethylene thiourea"	"DSSTox_20601"	0	0	0	1.15228665723715	0.785866968439582	4.49389179755672	0.705218617771509	3.18167845066093	1.16994805081416	0.747384155455904	0.254129606099111	0.217899493113285	-0.0295021932387747	1.01453505300993	7.93764239298083	18.9747111562756	10.9522434266833	6.48061085549371
"C96480"	"96-48-0"	"4-Butyrolactone"	"DSSTox_20224"	0	0	0	3.31418936719532	0.195152414035362	7.09677419354838	0.978357545211977	4.96201911296251	1.72659817351598	1.45278450363196	0.142045454545455	0.733979942960929	0.110609309076389	0.991689962555803	2.38663945930893	14.603401707211	5.98885518196682	10.4626083550777
"C96489713"	"96489-71-3"	"Pyridaben"	"DSSTox_32573"	0	0	0	1.09546165884194	-0.487957122193346	-2.06528980679547	0.13953488372093	1.18963068181818	-1.18531563261989	1.27693535514765	0.675675675675676	3.57112035470936	3.1149428946848	14.9870253832014	0	74.7114895274333	41.6097349862239	109.430748233917
"C96708"	"96-70-8"	"2-tert-Butyl-4-ethylphenol"	"DSSTox_44581"	1.35538529886285	7.82346859653657	29.1310794780546	7.90083614493179	0.402242990654205	15.6189241736876	5.53734384690352	29.0109213967082	6.75554165526408	3.02613480055021	2.07407407407407	1.8426112390604	0.112663716229957	9.39531167152437	35.5869148695713	13.4267793277445	10.6017969968247	20.209115913275
"C96764"	"96-76-4"	"2,4-Di-tert-butylphenol"	"DSSTox_26602"	0	0	0	1.89524702224458	0.252742623761469	8.01987224982257	2.76356192425793	15.0618374558304	4.33745988078863	12.2562674094708	0	0.654372592924835	0.0579439511186864	8.89403899964339	3.20662558243412	4.79752155399695	11.1886292656095	50.1873587633667
"C96833"	"96-83-3"	"Iopanoic acid"	"DSSTox_23159"	10.3177260524601	25.3300563004722	32.5821450712957	28.0581098833166	14.336354211952	42.8246013667426	20.7573202514181	5.62526675202731	5.95726373153593	0.141843971631206	0.280701754385965	3.12010530220278	2.21633475054966	32.0905931767286	28.8755885534658	42.3401669829465	91.8876815166565	11.3056594553439
"C97007"	"97-00-7"	"1-Chloro-2,4-dinitrobenzene"	"DSSTox_20278"	16.2471935454107	10.5282279643168	17.4165783473039	0.768790585425323	1.74998839530242	5.10761323482172	-0.374830528750298	-0.0481540930979134	1.10551193405992	99.8573466476462	50.6766917293233	0.0755504317418221	0.063250991581477	2.57894647113126	6.87064828513375	1.20982955677568	147.236465748945	112.765049386613
"C97234"	"97-23-4"	"Dichlorophen"	"DSSTox_21824"	31.7300994568889	67.8014295759744	1.67252766103439	22.6974770101391	8.40812597409577	91.0335300766043	5.38190622936386	52.255137443288	6.56398445372103	27.5	0.851063829787234	0.996487849222671	1.05950982051313	8.32672076615532	4.23789698617829	0.309157642591615	117.461811267997	100.504802438749
"C97322877"	"97322-87-7"	"Troglitazone"	"DSSTox_23719"	6.5808822132465	9.58717679622435	3.71679440434556	0.80255629040648	0.63927057752358	3.54048964218456	1.16737533822961	8.88658041363679	3.65762812872467	0.503959683225342	1.36986301369863	1.20163386116965	1	2.75734443530678	5.53118033969991	15.2973730886372	53.6705586149161	69.8223736788838
"C97529"	"97-52-9"	"2-Methoxy-4-nitroaniline"	"DSSTox_38700"	0	0	0	1.34798895359965	0.299179315455768	5.95517609391675	2.43277848911652	4.26916899146166	13.0576015108593	0.5	0.929512006196747	0.0451612885792452	0.137853914018585	1.28283886381646	5.06182469906898	3.49319645489996	31.7710588334566	1.42574260107095
"C97530"	"97-53-0"	"Eugenol"	"DSSTox_20617"	0	6.79200501324273	0	3.27699206622973	0.0511905074423121	1.92159877017678	2.87427777371462	6.23454157782516	0.926493384765133	0.825082508250825	0.528401585204756	3.31048690231715	0.62275789768334	1.25602910126605	2.85212157498907	20.239446917001	3.30885018383219	12.9989747871223
"C97541"	"97-54-1"	"Isoeugenol"	"DSSTox_22413"	0	24.682278907924	0	28.0361022898212	22.8344011506276	73.9755188930282	96.4965053525613	33.1895223420647	27.4636165763305	19.9395770392749	23.2804232804233	1.13275827119962	-0.0219298328894866	1.68833101813842	32.0696789949165	13.366239905024	1.40314403341863	8.49677851084401
"C97563"	"97-56-3"	"2-Amino-5-azotoluene"	"DSSTox_20069"	14.1773622047244	28.9660564206137	18.6957914120253	38.0626400920821	2.57237498306838	127.211646136618	24.6849698666829	47.801061246515	22.1692191815215	22.5779967159277	4.76534296028881	3.49509196884302	3.5558604736322	12.6903180384461	99.8763762098729	4.18131332314774	81.9982979348882	6.85728259998782
"C97596"	"97-59-6"	"Allantoin"	"DSSTox_20043"	17.1619103217549	3.20128503423463	10.443089830564	2.72558444395892	0.585512579029597	5.18975459299987	0.975329890992542	1.84445388865278	5.37898310631161	0.615384615384615	0	0.220069032560516	0.0721657582883512	1.22641244289827	12.4005234718168	7.24483136703359	2.39604658447435	6.4496141590526
"C97778"	"97-77-8"	"Disulfiram"	"DSSTox_21322"	2.2906633437735	12.234928788491	22.3907830257533	-0.986093552465235	1.95481166292452	3.00846129739894	0.568282720653524	10.4723961297666	1.29970527129536	28.5464098073555	63.0901287553648	1.21798317189286	0.0657445052202981	1.88167851920986	7.17681214103845	21.1609805933164	1.61307153844141	1.69013341995814
"C97789"	"97-78-9"	"N-Dodecanoyl-N-methylglycine"	"DSSTox_42011"	11.7888604813607	11.4578511005429	7.19235497932268	0.269362754141913	1.17829635590298	3.75319874893375	1.15402369595322	1.14364135407136	0.223307217743462	0.290275761973875	0.136054421768707	0.261820085061605	0.899465539556563	1.19759755039306	4.8389969690064	9.17004407363781	50.4104495968703	3.37019907136668
"C97886458"	"97886-45-8"	"Dithiopyr"	"DSSTox_32379"	0	0	0	17.7355308008574	2.08220401135168	88.2418500975202	11.7554612604118	38.0140583340066	13.4074249231497	7.69230769230769	3.31325301204819	3.97667288127877	1.16302676203547	3.1590206030077	11.0223446914519	12.594968379283	31.6380901955348	2.33421349677306
"C97994"	"97-99-4"	"Tetrahydrofurfuryl alcohol"	"DSSTox_29128"	0	0	0	1.47163599734663	0.450865973611385	2.60854493456972	0.58813045802887	1.96030534351145	0.833889259506338	0.310077519379845	0.144613159797542	0.0906821102352733	0.0658064196328167	1.28935097497614	2.93328327434967	11.2118923870281	8.51167921676235	9.78140053789112
"C98000"	"98-00-0"	"Furfuryl alcohol"	"DSSTox_25347"	0	0	0	2.66944527141014	1.82358503309469	-1.43317807237549	2.02610824041338	4.41450480149061	3.0039789812593	0.150715900527506	0.243605359317905	0.43760086541848	0.201205209880336	1.82641502077687	4.8694379713954	7.03994293487039	9.66496795139721	11.0795681027312
"C98011"	"98-01-1"	"Furfural"	"DSSTox_20647"	0	0	0	4.67839565537139	0.45662100456621	-1.26368997472619	1.19792874256125	0.735645361612687	0.0854970076047344	1.74216027874564	0.148588410104012	0.62209994735352	0.053930262389356	2.32752819765102	0.732863671659013	8.85632012540177	5.84553692006648	9.15815061941378
"C98066"	"98-06-6"	"tert-Butylbenzene"	"DSSTox_47138"	0.412651042588049	15.7562970293332	24.8540413671703	1.1740473738414	1.06381998876311	4.48681996634885	1.54346060113729	1.30434782608696	0.801432347173673	1.72272354388843	0.408997955010225	0.491794698262886	0.287706623148775	0.327995754593223	9.34686662011508	14.3162649191828	7.46569059638944	7.53651794296964
"C98077"	"98-07-7"	"Benzotrichloride"	"DSSTox_20148"	2.44372184326851	8.72487896966736	18.8773945291805	2.41314393291118	0.241470949291101	1.61934338952972	0.095356854690823	0.89153046062407	0.864676065936874	0.634920634920635	0.27681660899654	2.82625856702711	1.88930552124074	2.02169662849124	4.36616876402516	25.5473168801697	6.69242851773408	7.18047961981014
"C98319267"	"98319-26-7"	"Finasteride"	"DSSTox_20625"	2.28145140109501	3.02511935671711	12.1338434305944	-0.106684707657881	0.963318676232354	5.92617300422504	-0.736044699940903	-0.259586145516576	2.01461936174006	0.336700336700337	0.15015015015015	0.552991583632343	0.164219566916769	0.625725397844996	3.92555492382492	6.90824479044389	12.2150193801462	15.9445506307767
"C98511"	"98-51-1"	"4-tert-Butyltoluene"	"DSSTox_24704"	0	0	0	2.27413292735144	1.99589517832178	1.71370967741936	2.28957554287214	4.372865465747	1.64397093064277	1.82270091135046	0.145666423889294	0.328131292182316	0.178790280047199	1.32308120410518	2.31029321859513	9.65419113506845	8.79117558749203	4.04619595756716
"C98522"	"98-52-2"	"4-tert-Butylcyclohexanol"	"DSSTox_26623"	0	0	0	2.41997548670296	1.61062948861681	16.2221250546568	3.00170088398055	7.72025431425976	3.57277171869124	0.153374233128834	0.594353640416048	1.33574055414	0.552230513233553	1.14322240728253	3.04262777508991	23.598109606471	10.1600621078944	4.60590997445098
"C98533"	"98-53-3"	"4-tert-Butylcyclohexanone"	"DSSTox_44394"	78.7809202077168	-37.0518404590808	20.9754084362726	1.59718591053858	0.293736501079914	0.627407815079804	1.76245210727969	3.35177865612648	0.958067203554567	0.489396411092985	0.584795321637427	0.551704920402715	0	1.08895997322692	3.04520089870394	6.27255355424979	3.04256085072481	9.45203653848302
"C98544"	"98-54-4"	"4-tert-Butylphenol"	"DSSTox_20221"	14.5706754737259	14.1179784149947	34.3177306596853	106.918703389205	58.7758213468964	137.289527720739	121.667482460434	113.409961685824	111.574648092772	44.4759206798867	72.5581395348837	3.84661131746769	1.90125348808142	0.705568085986648	21.2674576734978	52.4619773454255	2.32369520401157	11.6084732348926
"C98566"	"98-56-6"	"1-Chloro-4-(trifluoromethyl)benzene"	"DSSTox_24821"	0	0	0	0.331220375763806	1.93356717554393	6.34216177523264	1.43254447184762	6.30394406205616	1.75298486603043	1.48760330578512	0.686341798215511	0.501995624816891	0.171339309417245	1.6925448412892	31.198964243633	14.9288392956395	4.29170975065524	8.54108140272722
"C98730042"	"98730-04-2"	"Benoxacor"	"DSSTox_29572"	84.1490226555749	94.7795549544118	98.327576535884	1.36093349588237	3.24235250429374	2.08801798907806	3.99553393412553	3.96468699839486	3.14465408805032	0.14265335235378	0.150375939849624	0.90837749284598	0.0292777925222404	10.1727952576117	5.24729266433165	0.458638320733305	23.1146627961063	37.8507067405505
"C98862"	"98-86-2"	"Acetophenone"	"DSSTox_21828"	0	0	0	0.547432281915776	0.00479740556307139	0.988433228180861	-1.25586321682554	-2.43864433190495	0.304010037156781	0.460829493087558	0.140056022408964	0.482249422151196	0.271404810819677	1.83246817432718	4.30668431624064	9.63611579408773	4.98488160454911	5.92414102600976
"C98873"	"98-87-3"	"Benzal chloride"	"DSSTox_25014"	0	0	0	3.52941176470588	0.607102803738318	2.82998487794341	5.73225835031452	1.90739886171358	1.17283709292779	1.37551581843191	0.444444444444444	0.543798244583586	0.0314264550067302	0.66645230808255	10.2196308741566	15.9161800881663	3.62575182043389	9.10233475187921
"C98886443"	"98886-44-3"	"Fosthiazate"	"DSSTox_34930"	0	0	0	2.02442476710886	0.235498412169797	6.00578871201158	2.73365913255956	4.9047172758513	3.07230122171039	1.59489633173844	0.421940928270042	0.795970158577975	1.37781493542463	3.66520622505127	4.41512170565878	12.5998654157823	9.63185443248862	6.50852558773972
"C98920"	"98-92-0"	"Niacinamide"	"DSSTox_20929"	0	0	0	3.71719072850392	3.24849379072913	6.6170773283744	7.11409395973154	1.36833286791399	2.64761904761905	0	0	0.235277581947269	0.0848651121288665	0.794712679739465	6.63625380345095	4.84392318820428	4.37920709711444	8.19661283214709
"C989388"	"989-38-8"	"Rhodamine 6G"	"DSSTox_21243"	54.1671355585065	78.0119679885355	55.6028787495432	0	0	0	0	0	0	0.168350168350168	0	0.217683575061676	0.251884281317073	17.3510473558665	2.48989154420406	43.5899410784502	131.993040039112	113.260434160321
"C98953"	"98-95-3"	"Nitrobenzene"	"DSSTox_20964"	5.74544233130256	1.55347344612381	25.4457050243112	3.8961038961039	0.385543505394835	5.28491290227341	0.495793269230768	1.13285272914521	1.22756010891135	0.630914826498423	0.277008310249307	1.70317524273017	1.54606693404629	1.27454049933397	2.99694221738206	8.10230171370278	4.10234830278831	5.06836860287486
"C98967409"	"98967-40-9"	"Flumetsulam"	"DSSTox_32615"	0	0	82.8157711095604	2.26811103588355	0.645217040642913	3.2605254827477	0.355209742895805	0.74715261958998	0.707815670939959	0.766871165644172	0.142045454545455	0.115239292545341	0.166531610188181	1.5098207734225	4.52293471624853	28.9951658287419	6.60809443142434	8.97374396718612
"C99070"	"99-07-0"	"3-Dimethylaminophenol"	"DSSTox_25101"	11.6990687094974	9.06633529886864	21.2299370921277	3.479378318745	-0.173203381869422	2.02020202020202	1.61742231278655	0.821697408492787	2.49536885692492	23.4608985024958	18.2865370770338	1.97865011787497	0.945756955216013	5.14733809840794	18.0844305856692	8.52583831413899	1.41595964416799	5.21783864351516
"C99081"	"99-08-1"	"3-Nitrotoluene"	"DSSTox_21831"	0	31.5173971450082	0	4.1613629687653	0.492276353759973	8.07815689705453	1.0107105144064	1.06319639363783	0.903923213120865	2.25442834138486	0.274725274725275	0.583913942514847	0	1.84159891124561	30.3160320817655	16.2556464756989	4.87400064991587	6.15763385200614
"C99309"	"99-30-9"	"Dicloran"	"DSSTox_20426"	0	0	10.5972184346878	1.41729287548749	0.561480645257123	-0.377191036165957	-0.0129282482223659	1.86131070902952	1.16220595630553	0.0814995925020375	0.563380281690141	2.89011679153486	0.697230574686508	3.90288871142384	3.18244850044189	8.73424684770611	4.35672445685336	43.4307851082542
"C99514"	"99-51-4"	"1,2-Dimethyl-4-nitrobenzene"	"DSSTox_25133"	0	0	0	1.68133604152562	0.244836823458248	9.14846470402026	1.89445196211096	1.71298405466971	1.677968618522	0.920245398773006	0.142045454545455	0.802696637364481	0.243323079206053	0.646861017383906	17.0020353610003	5.33166708711298	6.64008993736945	5.62698589451425
"C99547"	"99-54-7"	"3,4-Dichloronitrobenzene"	"DSSTox_24999"	0	0	0	0.617971058995126	0.384072439623049	4.2914979757085	1.21722846441948	2.45435244161359	1.32430622721524	-0.0620732464307883	0.397350993377483	0.431911317843243	0.230906636416229	4.01058136054246	3.34492414385778	8.45465066134864	7.64832480680212	3.7173443298189
"C99558"	"99-55-8"	"2-Methyl-5-nitroaniline"	"DSSTox_20959"	0	0	0	0.193207995838597	0.317391109201777	6.66666666666667	1.60030923850019	1.80375861743319	2.66686531585221	0.215982721382289	0.273972602739726	1.0137120723825	0.117825978126957	3.68155467085464	4.35094557564451	2.00647661868186	5.89363401280444	7.53383970215487
"C99592"	"99-59-2"	"2-Methoxy-5-nitroaniline"	"DSSTox_20943"	0	0	0	2.1790775784386	0.219800776317636	3.95284327323162	0.804135554279149	4.3014283368905	0.85231056066054	0.443786982248521	0.27972027972028	0.0245366515621175	0.0374938029590271	1.99330224232461	2.53509988192941	19.998483566931	5.81225597531299	6.28860178208435
"C99607702"	"99607-70-2"	"Cloquintocet-mexyl"	"DSSTox_41794"	11.1567809812982	8.64831974491348	8.85311871227364	0.735918482875743	1.06451405415836	5.26520303089178	2.83795130142737	0.576730190571714	2.19823614584705	9.40819423368741	4.21994884910486	0.225703694464054	0.152831301637021	0.54498291126059	3.26308209345224	3.94513884958383	29.1877468712013	9.84285071572712
"C99627"	"99-62-7"	"1,3-Diisopropylbenzene"	"DSSTox_26640"	0	0	0	0.745028015516286	0.824956848411006	17.4166952937135	1.91174544978395	4.88349514563107	3.18271119842829	0.830564784053156	0.596125186289121	0.405822788514866	0.278056596451447	0.669675754126621	22.5108991260207	2.14476653566105	5.68118903003271	5.94347183107429
"C99638"	"99-63-8"	"1,3-Benzenedicarbonyl dichloride"	"DSSTox_26641"	0	0	0	0.583172545363886	1.44011686064051	3.81833473507149	0.999242997728992	0.376952073236404	1.64424514200299	0.29585798816568	0.132450331125828	0.488639993908251	0.0738824358905292	1.03466430695721	2.39250791624019	21.3276764605279	8.07838515141809	6.35410552948252
"C99650"	"99-65-0"	"1,3-Dinitrobenzene"	"DSSTox_24065"	0	0	0	2.04494544403497	1.4060293485602	6.88148552703441	3.09001343484102	1.76678445229683	3.59984842743463	1.4308426073132	0.591715976331361	0.316785075328613	0.0845901720360306	0.253843821313709	0.276872829562708	19.4975483144919	4.9943363754237	50.1346124186104
"C99661"	"99-66-1"	"Valproic acid"	"DSSTox_23733"	5.32961945158013	13.94790727793	29.3276044022313	0.963792654337066	-0.131283511036404	3.13546423135464	-0.957914572864321	-1.69835970387575	0.602434159645053	1.31477184841454	17.4636174636175	0.204068997585726	0.180415226155288	2.01601875237255	4.0451163031429	24.1716757795219	5.19273037323102	2.488682007896
"C99718"	"99-71-8"	"4-(Butan-2-yl)phenol"	"DSSTox_22332"	8.50777238623833	16.675518800482	25.8663987945756	88.4396297426508	64.2858594273871	152.183049264534	141.606814765325	106.229626946758	119.34044786564	41.2403100775194	46.8	4.26291327321115	2.48515863777646	2.8825676020549	21.5944038217549	69.9409340470878	3.32823032564831	17.1305436954802
"C99763"	"99-76-3"	"Methylparaben"	"DSSTox_22529"	7.33111033326578	15.551300295318	25.0746268656716	4.23456715332889	1.03559950251819	45.912653975364	25.305898825105	33.5192013670294	19.4792152361823	0.0821018062397373	0.288808664259928	2.89912539824079	1.59910206219569	0.77981331650482	20.7515789620351	21.5760380441383	6.65779658823552	2.36072076237559
"C99854"	"99-85-4"	"gamma-Terpinene"	"DSSTox_41210"	0	0	0	2.86241024645837	0.385006859317609	1.31368151233579	2.61735070041779	5.71786310517529	3.31504004746366	2.4390243902439	-0.14194464158978	0.246837178305996	0.0240454739666572	2.12602637555021	2.64499041416327	33.9618470414058	4.21505087924715	6.36360117078879
"C99865"	"99-86-5"	"alpha-Terpinene"	"DSSTox_41237"	0	0	0	3.87636612021858	30.2954209748892	23.669623059867	69.6951403561727	24.4332493702771	76.7656500802568	42.8184281842818	89.1515994436718	0.781045328579697	0.434837742012976	2.14032760338372	21.2777237107928	14.8688803660769	2.5530922582498	11.056830709789
"C99876"	"99-87-6"	"p-Cymene"	"DSSTox_26645"	0	0	0	1.73160173160173	0.288464205475273	9.83170947741365	0.781250000000001	0.559070178019715	1.82749550048456	0.157728706624606	0.415512465373961	0.40642228781329	0.0713846332367663	1.59315807815841	5.19149218101076	2.34946627016108	5.90821161166172	8.3915983182616
"C99898"	"99-89-8"	"4-Isopropylphenol"	"DSSTox_42299"	3.96833302501198	24.9826981066785	20.7702588090159	30.810076861528	8.60145608266792	98.6239203630508	63.9327559857361	76.4408435327242	32.0638552903999	1.66389351081531	0.143988480921526	1.98255079808768	0.779797677373653	1.54986212723397	14.9995206270136	37.9278219833427	6.18105517824804	6.64915457883008
"C99934"	"99-93-4"	"4-Hydroxyacetophenone"	"DSSTox_29133"	0	0	0	1.02646035324243	2.38649987558531	1.46150369142685	1.70620734481638	2.95513703873833	3.51089116627051	0	0.158730158730159	0.780502851927426	0.825649863424327	1.17015827882681	15.7366030374983	10.7538053970044	5.7572687751684	1.86212280905431
"C99967"	"99-96-7"	"4-Hydroxybenzoic acid"	"DSSTox_26647"	0	0	0	0.61731989983111	1.3161977658254	0.183576061681558	1.83713577715116	1.84990540256464	1.89891907683319	0.404203718674212	0.423131170662906	2.52856526477083	1.92840727777098	2.52555785131786	17.8417798456221	10.3767031710879	5.17071583177527	7.09820614906736
"C99978"	"99-97-8"	"N,N,4-Trimethylaniline"	"DSSTox_21832"	0	5.18781600505982	0	3.93590708678352	1.8165231488045	1.99764982373678	2.30332522303325	2.99611750054941	2.43269770050477	1.56695156695157	0.434153400868307	1.25688932570091	0.601433510400058	1.83380051709337	45.5433409280606	7.68384144958365	0.999137800670191	2.05375571351121
"C99990"	"99-99-0"	"4-Nitrotoluene"	"DSSTox_23792"	14.7959494906363	0	0	2.60775081492213	0.341789681487374	2.08272220592549	0.31273889776913	1.977598879944	0.798548094373865	1.47783251231527	0.348189415041783	0.571742132028446	0.241413489197416	2.28253998842963	7.67510107895516	2.39629372590415	5.39626089796867	10.761439132466
"C999973"	"999-97-3"	"Hexamethyldisilazane"	"DSSTox_25395"	8.92447915155806	1.74068807937562	10.2018944893867	0.38006179421978	0.793236900612083	4.29028815368197	0.40851167611731	1.42869219714261	3.60717658168083	0.5	0.154918667699458	0.681314607113414	0.133306702807912	0.485714024737709	3.17826108868577	8.59809685662482	6.24873237223725	6.47009547811119
"CNOCAS34742"	"NOCAS_34742"	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	"DSSTox_34742"	0	0	0	-0.214833759590793	-0.00843028157140418	0.662650602409639	-0.974596580923469	1.70648464163822	0.168933937939006	1.5748031496063	0.738552437223043	0.0610342492853947	0.261292850568019	115.286061089925	7.26102561492359	44.7225957852066	66.967503746834	118.98669020538
"CNOCAS47248"	"NOCAS_47248"	"CI-1018"	"DSSTox_47248"	0	0	0	0.5706380771226	0.288817575907184	14.183870488638	-0.121036068748486	1.51889791593076	0.943816884661118	4.34782608695652	0.45016077170418	0.84799690655495	0.678071905112638	1.73737373924568	4.32774835073507	2.37840857964864	3.84547179146509	29.1068195388096
"CNOCAS47255"	"NOCAS_47255"	"CP-465394"	"DSSTox_47255"	0	0	0	4.53847062994918	0.823608385830837	6.72604422604423	1.02268257506228	0.897093073406367	0.714178319049768	0.476947535771065	0.619195046439629	0.485426827170242	0	2.57933268356471	18.067148946672	23.5506904263389	6.76087555870534	5.34484271968367
"CNOCAS47265"	"NOCAS_47265"	"CP-471358"	"DSSTox_47265"	0	0	0	2.35587501833651	0.659439252336448	4.77424929790452	6.63595286612918	7.26042147361944	2.78353336721529	0.550206327372765	0	0.678071905112638	0	0.710836188472732	5.96620211307956	22.7202519313515	2.57467161207322	4.72554719186865
"CNOCAS47267"	"NOCAS_47267"	"CP-642931"	"DSSTox_47267"	0	0	0	1.44397896425706	0.328603215301416	-2.49574588769144	-0.197729769315268	-2.46462076641755	-0.868439094995048	3.43481654957065	0.136986301369863	0.584962500721156	0.137503523749935	0.736762090590942	1.20861085879892	28.2707983157825	6.76045800834201	19.0185834136568
"CNOCAS47291"	"NOCAS_47291"	"CI-1044"	"DSSTox_47291"	0	0	0	1.19549929676512	0.958436359354762	2.0851185375607	0.136481506755835	-0.688813322870346	2.41433667966482	3.62068965517241	0.847457627118644	0.37851162325373	0.584962500721156	1.50413736735015	5.30646283895478	8.15844657089918	2.74594582708285	24.854500173739
"CNOCAS47292"	"NOCAS_47292"	"PD 0200347"	"DSSTox_47292"	0	0	0	1.29610259675292	0.560571192541453	13.1927212572374	2.7799347724802	6.04633640987004	4.33371205973056	0.428571428571429	0.121802679658952	0.137503523749935	0	1.06440048926159	0.859374435750998	16.8455731462386	6.99681629369065	16.6756003288884
"CNOCAS47299"	"NOCAS_47299"	"CP-422935"	"DSSTox_47299"	0	0	0	2.45109974839705	0.155036632549461	3.1360250882007	2.14805023132848	5.28541226215645	0.625152228627102	0.278164116828929	0.139275766016713	0.485426827170242	0.137503523749935	2.05245650543637	6.20245326737138	3.35753951464299	3.78238269282468	4.05446967387289
"CNOCAS47305"	"NOCAS_47305"	"CP-608039"	"DSSTox_47305"	0	0	0	1.78551016209049	85.2200509148184	1.53773361722262	1.82531559194814	1.10424028268551	0.83447959651536	0.557103064066852	0	0.263034405833794	0	3.08951246943668	2.06579843796696	4.94654429506807	8.3997302603151	3.93047084058686
"CNOCAS47311"	"NOCAS_47311"	"GSK163929B"	"DSSTox_47311"	8.21033456427376	8.98263303711637	68.6211771709205	-0.165276247442153	0.0245315161839864	2.20883534136546	1.83139094899349	2.31110272615791	-0.22135062716011	1.25786163522013	1.24913254684247	0.765534746362977	0.37851162325373	0.99396096435189	3.73106192469857	5.07560327992291	81.9374968177702	64.2181896213274
"CNOCAS47325"	"NOCAS_47325"	"SB413217A"	"DSSTox_47325"	0.998774663930924	5.23876881914976	13.7868129560607	0.273455917020273	1.56073179932101	1.70157068062827	8.98531485937111	0.876114355979095	5.00283756057101	2.54110612855007	0.508259212198221	0.192502159021986	-0.0129429685836389	25.3356238048203	25.179009598691	5.0858446571267	7.9426914814317	16.3304774119018
"CNOCAS47328"	"NOCAS_47328"	"MK-274"	"DSSTox_47328"	3.9163041730242	2.74695381127798	18.8612251882272	1.22062862374123	0.30276552943328	1.21410226476769	1.97093703023217	2.2455632017385	1.04968509447166	6.82170542635659	0.8	0.512409474087594	0.516858975344129	3.60039943969155	1.03778338449337	12.0873234249507	107.703371012712	62.0245448239565
"CNOCAS47330"	"NOCAS_47330"	"PharmaGSID_47330"	"DSSTox_47330"	9.45125176822792	4.84671810158396	6.98550073058334	9.72991994369667	-0.10074519461413	11.891592920354	1.61946826015415	5.07188498402556	0.479289420455545	1.7306245297216	0.554400554400554	1.30292268161679	0.134894264490817	1.2338411216781	1.42866076298498	11.3765201384146	107.964415705906	33.8966269621653
"CNOCAS47333"	"NOCAS_47333"	"PharmaGSID_47333"	"DSSTox_47333"	0	0	0	0	0	0	0	0	0	-0.310077519379845	0.266666666666667	0.372368346281253	0.409588687497186	0.970850478763037	2.79631050423638	0	5.2366208463262	3.88810834748249
"CNOCAS47334"	"NOCAS_47334"	"MK-968"	"DSSTox_47334"	9.06496062992126	15.2366904230412	12.22812308185	1.71593366979092	-0.0280540678398368	23.3711894799761	0.715137067938021	-1.65406034411105	-1.38834109016329	57.0750988142292	0.29673590504451	0.571186832986161	0.295785454068075	0.813077201159193	2.73489426741773	36.4989406567416	87.9084531030359	97.6237226261785
"CNOCAS47342"	"NOCAS_47342"	"SR125047"	"DSSTox_47342"	7.69035205688914	7.92604153687758	17.5812341979586	1.13912587579238	0.835000827478298	10.7477887965693	3.40369937426941	3.14682570823197	1.33459617702772	5.4635761589404	1.11524163568773	0.74902270218446	0.361573570941778	9.7909171032004	2.02147882595371	5.60432361192603	4.78021111555444	68.802985363719
"CNOCAS47346"	"NOCAS_47346"	"SSR162369"	"DSSTox_47346"	0	0	0	0.706431037241947	0.404754491675977	5.27560917908682	2.74650290003412	2.37043580683156	0.651077487391104	0	0.416088765603329	0.456941452740739	0.319751039058952	0.734833062818199	14.4386072342018	52.4813292265632	7.58585890353282	7.97805506401074
"CNOCAS47351"	"NOCAS_47351"	"SSR240612"	"DSSTox_47351"	0	3.5129152718216	23.248420143659	-0.520151180630917	0.396870210534807	-2.3293172690763	0.0446960667461264	4.37474205530334	-0.655614167294649	46.2757527733756	10.3180212014134	1.77819711556785	0.615273888148415	12.1903375304768	2.50715620010712	0.799112226102759	24.4370073298676	69.1042791832788
"CNOCAS47353"	"NOCAS_47353"	"SSR241586"	"DSSTox_47353"	2.81518036763479	26.1120035838907	42.2327254475489	0.777623726565798	0.285417319716892	1.23741007194244	0.766952691928011	1.69779286926995	-0.616035739478017	41.3489736070381	3.69056068133428	0.462805140641357	0.393249921995455	29.5709148410298	1.39176119966149	3.53827492032132	103.03842406552	111.303332723675
"CNOCAS47362"	"NOCAS_47362"	"SSR150106"	"DSSTox_47362"	0	6.61372082915709	30.2567021234839	9.35038363171355	0.474905861855786	10.8433734939759	0.223677903818502	2.81768394317009	0.0533475593491598	6.2992125984252	0.590841949778434	0.387755537425503	1.57565244829219	3.70097548777529	4.34757767300655	2.12930738773931	28.9391046878373	66.0086550592514
"CNOCAS47364"	"NOCAS_47364"	"SSR103800"	"DSSTox_47364"	2.37808537774778	4.48248484443753	54.9665343836996	0.208302772480564	-0.00598130841121496	-0.367249945992653	3.99574731992558	-0.230733733271803	0.344032213925486	5.63961485557084	0.888888888888889	0.496058628948684	0.10722687002181	1.42337845008116	3.63156553993683	0.872219153038	64.475438589706	20.2242603833112
"CNOCAS47366"	"NOCAS_47366"	"SAR115740"	"DSSTox_47366"	6.93183289075769	15.4433608886593	11.598790782569	0.405258941614438	0.257863843876988	-4.09973627427475	-0.550111741447482	0.460299194476413	2.34515935057126	2.09267563527653	8.08926080892608	0.629238138164301	0.422825256880097	45.9566836889851	5.57417775738523	0.31630478753101	11.0298825152278	38.3430585467144
"CNOCAS47374"	"NOCAS_47374"	"SSR161421"	"DSSTox_47374"	0	0	0	8.14708002883922	0.318796225452691	1.49432157800359	0.91378625347636	0.27429141384756	0.757276958270885	1.26482213438735	0.593471810089021	0.576489453763305	0.829701388548896	2.56214565534628	1.22415976884414	7.05102895174374	39.472371576098	46.3691534197597
"CNOCAS47377"	"NOCAS_47377"	"AVE6324"	"DSSTox_47377"	10.4999599849086	22.9477122538961	40.7917255748196	0.316427489081023	11.4097520003537	13.7833238797504	27.543024533138	3.21195738591191	8.22731774205836	4.68384074941452	0.821917808219178	1.56317808482906	1.00178352728969	97.640950409288	3.84053693529981	3.69232282877589	4.46087172144229	107.92506562957
"CNOCAS47379"	"NOCAS_47379"	"SSR126768"	"DSSTox_47379"	6.66101751858061	30.9497030044522	6.22932000810318	0.200714407212111	0.00574224955816573	6.82579564489112	4.46754706378196	8.77568166195677	5.07376994458909	0.493827160493827	0.391644908616188	0.496970117980246	0.396300936697253	11.2824680191444	1.70294370188678	5.2621946151317	77.5826042691739	96.3881496822772
"CNOCAS47383"	"NOCAS_47383"	"AVE3247"	"DSSTox_47383"	0	0	0	4.60169491525424	0.471326523799986	4.45226755021743	3.39593114241001	1.84999544336098	0.148717762704487	0.890207715133531	0.559440559440559	0.53953107147415	0.540746833343994	2.39934247258617	3.25627673574457	6.82606511272285	3.39433348968231	8.19360722827849
"CNOCAS47385"	"NOCAS_47385"	"SAR377142"	"DSSTox_47385"	0	5.75533745487444	0	1.115196817168	1.99132199363173	16.6618705035971	10.0007593591009	4.1124316166761	7.22783917234893	3.95894428152493	0.56777856635912	1.0091761141502	0.313539812131055	3.41909368585454	4.39177139440318	6.94053150883079	1.4208887814926	35.9764629122949
"CNOCAS47387"	"NOCAS_47387"	"SAR102779"	"DSSTox_47387"	9.59453517372157	8.36535956556072	26.2301988540613	0.108656283955089	0.718936916232063	3.02141390437078	5.70574744596567	1.73258662933147	2.02359346642468	34.4827586206897	0.20891364902507	0.355929980327973	0.899877828761928	3.62939912976096	8.43335123497334	5.40557926241716	69.0519624686071	99.6507799573751
"CNOCAS47389"	"NOCAS_47389"	"SAR150640"	"DSSTox_47389"	0	0	0	1.17002507196583	0.62436639601315	0.857002938295786	2.50651041666667	4.68815993242292	4.99331458342939	26.7409470752089	4.3956043956044	0.573872319184567	0.173956697252124	1.20895811934704	3.96630474965858	19.3414421034398	32.4805175990586	1.25971229926203
"CNOCAS47708"	"NOCAS_47708"	"Igepal CO-890"	"DSSTox_47708"	0	0	0	3.48617832827496	1.80331018582055	33.8954108858058	28.1385281385281	37.8645701242709	82.8668555240793	0.5	0.464756003098373	0.607779751305463	0.0560535391676266	1.81733736566684	10.9189130059348	1.56333581815588	10.5927136379076	17.5490175471783
"CNOCAS47796"	"NOCAS_47796"	"Formalin"	"DSSTox_47796"	0	0	0	4.58156905656787	1.16600731729082	-1.68850806451613	2.10588466837237	0.247773387798834	1.59458124603119	0.165700082850041	0.145666423889294	0	0.0986520673159103	1.58857422550061	5.80960635576919	10.4500321230622	10.3639672429481	6.02341595708299
