real datasets for testing, test data cleanup, Daphnia import, upper and lower similar...
authorhelma@in-silico.ch <helma@in-silico.ch>
Fri, 16 Nov 2018 17:42:42 +0000 (18:42 +0100)
committerhelma@in-silico.ch <helma@in-silico.ch>
Fri, 16 Nov 2018 17:42:42 +0000 (18:42 +0100)
33 files changed:
README.md
data/Acute_toxicity-Daphnia_magna.csv
data/Carcinogenicity-Mouse.csv
data/Carcinogenicity-Rat.csv
data/Carcinogenicity-Rodents.csv
data/parts/toxicity_data.xlsx [new file with mode: 0644]
ext/lazar/extconf.rb
lib/crossvalidation.rb
lib/download.rb
lib/model.rb
lib/validation-statistics.rb
test/classification-model.rb
test/classification-validation.rb
test/data/EPAFHM.csv [deleted file]
test/data/EPAFHM.medi.csv [deleted file]
test/data/EPAFHM.mini.csv [deleted file]
test/data/EPAFHM_log10.csv [deleted file]
test/data/LOAEL_mmol_corrected_smiles.csv [deleted file]
test/data/batch_prediction.csv [deleted file]
test/data/cas_4337.sdf [deleted file]
test/data/efsa.csv [deleted file]
test/data/hamster_carcinogenicity.json
test/data/hamster_carcinogenicity_with_errors.csv [deleted file]
test/data/hansen.csv [deleted file]
test/data/kazius.csv [deleted file]
test/data/loael.csv [deleted file]
test/data/loael_log10.csv [deleted file]
test/data/multi_cell_call.csv [deleted file]
test/data/multi_cell_call_no_dup.csv [deleted file]
test/dataset.rb
test/download.rb
test/regression-model.rb
test/regression-validation.rb

index 0e9a87d..08ddaf6 100644 (file)
--- a/README.md
+++ b/README.md
@@ -123,7 +123,7 @@ algorithms = {
   },
   :similarity => { # similarity algorithm
     :method => "Algorithm::Similarity.tanimoto",
-    :min => 0.1 # similarity threshold for neighbors
+    :min => [0.5,0.2] # similarity thresholds for neighbors: first value for predictions with high confidence, second value for predictions with medium confidence 
   },
   :feature_selection => nil, # no feature selection
   :prediction => { # local modelling algorithm
@@ -150,7 +150,7 @@ algorithms = {
   },
   :similarity => { # similarity algorithm
     :method => "Algorithm::Similarity.weighted_cosine",
-    :min => 0.5
+    :min => [0.5,0.2]
   },
   :feature_selection => { # feature selection algorithm
     :method => "Algorithm::FeatureSelection.correlation_filter",
@@ -220,7 +220,7 @@ algorithms = {
   },
   :similarity => {
     :method => "Algorithm::Similarity.weighted_cosine",
-    :min => 0.5
+    :min => [0.5,0.2]
   },
   :feature_selection => {
     :method => "Algorithm::FeatureSelection.correlation_filter",
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+56-53-1,CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,2.37
+108-87-2,CC1CCCCC1,1.819
+66-25-1,CCCCCC=O,1.0389999999999997
+111-65-9,CCCCCCCC,2.4699999999999998
+124-18-5,CCCCCCCCCC,2.2990000000000004
+19295-81-9,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,3.194
+109-46-6,CCCCNC(=S)NCCCC,0.52
+126-73-8,CCCCOP(=O)(OCCCC)OCCCC,1.862
+78-48-8,CCCCSP(=O)(SCCCC)SCCCC,4.676
+67747-09-5,CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.9429999999999996
+33820-53-0,CCCN(c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-])CCC,4.012
+28249-77-6,CCN(C(=O)SCc1ccc(cc1)Cl)CC,2.548
+134-62-3,CCN(C(=O)c1cccc(c1)C)CC,0.07799999999999985
+97-77-8,CCN(C(=S)SSC(=S)N(CC)CC)CC,2.976
+625-53-6,CCNC(=S)N,0.9359999999999999
+109-89-7,CCNCC,0.11799999999999988
+103-69-5,CCNc1ccccc1,2.46
+1912-24-9,CCNc1nc(NC(C)C)nc(n1)Cl,0.601
+1014-70-6,CCNc1nc(NCC)nc(n1)SC,0.6299999999999999
+141-78-6,CCOC(=O)C,-0.9100000000000001
+98886-44-3,CCOP(=O)(N1CCSC1=O)SC(CC)C,2.7619999999999996
+470-90-6,CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC,3.5599999999999996
+22224-92-6,CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,5.1129999999999995
+3689-24-5,CCOP(=S)(OP(=S)(OCC)OCC)OCC,6.15
+100-41-4,CCc1ccccc1,1.5019999999999998
+657-24-9,CN(C(=N)N=C(N)N)C,-1.017
+50-48-6,CN(CC/C=C/1\c2ccccc2CCc2c1cccc2)C,2.551
+556-61-6,CN=C=S,2.418
+124-40-3,CNC,-0.041999999999999836
+16752-77-5,CNC(=O)ON=C(SC)C,3.9640000000000004
+114-26-1,CNC(=O)Oc1ccccc1OC(C)C,1.9100000000000001
+534-13-4,CNC(=S)NC,0.8250000000000002
+54910-89-3,CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F,2.7830000000000004
+131860-33-8,CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,3.3890000000000002
+63675-72-9,COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C,1.0709999999999997
+10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,3.1189999999999998
+126-07-8,COC1=CC(=O)CC(C21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,-0.4940000000000002
+62-73-7,COP(=O)(OC=C(Cl)Cl)OC,6.099
+732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,2.5999999999999996
+83-79-4,COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C,5.0280000000000005
+72-43-5,COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,4.087
+22204-53-1,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.794
+67-68-5,CS(=O)C,-2.505
+4685-14-7,C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.8230000000000004
+779-02-2,Cc1c2ccccc2cc2c1cccc2,3.1900000000000004
+108-67-8,Cc1cc(C)cc(c1)C,1.2999999999999998
+99-99-0,Cc1ccc(cc1)[N+](=O)[O-],1.0099999999999998
+576-26-1,Cc1cccc(c1O)C,1.0380000000000003
+108-88-3,Cc1ccccc1,0.001999999999999795
+95-53-4,Cc1ccccc1N,2.3120000000000003
+27304-13-8,ClC1C2C(C3C1(Cl)O3)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.513
+79-00-5,ClCC(Cl)Cl,0.492
+142-28-9,ClCCCCl,-0.3919999999999999
+111-44-4,ClCCOCCCl,-0.22199999999999998
+75-09-2,ClCCl,-0.34100000000000014
+58-89-9,ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,2.3890000000000002
+634-83-3,Clc1c(N)cc(c(c1Cl)Cl)Cl,2.559
+4901-51-3,Clc1c(O)cc(c(c1Cl)Cl)Cl,2.76
+935-95-5,Clc1cc(Cl)c(c(c1Cl)O)Cl,2.6100000000000003
+6639-30-1,Clc1cc(Cl)c(cc1C)Cl,2.55
+89-61-2,Clc1ccc(c(c1)[N+](=O)[O-])Cl,1.2510000000000003
+37680-73-2,Clc1ccc(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl,4.509
+37680-65-2,Clc1ccc(c(c1)c1ccccc1Cl)Cl,3.67
+107534-96-3,Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,2.0199999999999996
+439-14-5,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,1.8209999999999997
+2051-60-7,Clc1ccccc1c1ccccc1,2.4219999999999997
+1897-45-6,N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,3.21
+59-87-0,NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.839
+95-76-1,Nc1ccc(c(c1)Cl)Cl,2.4370000000000003
+91-94-1,Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,2.3810000000000002
+108-42-9,Nc1cccc(c1)Cl,3.1079999999999997
+95-51-2,Nc1ccccc1Cl,2.1900000000000004
+154-42-7,NC1=NC(=S)c2nc[nH]c2N1,1.0060000000000002
+434-07-1,O/C=C\1/CC2(C)C(CC1=O)CCC1C2CCC2(C1CCC2(C)O)C,1.5350000000000001
+22431-62-5,O=C(C1C(C1(C)C)C=C1CCCC1)OCc1coc(c1)Cc1ccccc1,5.164
+872-50-4,O=C1CCCN1C,1.9059999999999997
+1622-61-3,O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl,1.0220000000000002
+1665-48-1,O=C1NCC(O1)COc1cc(C)cc(c1)C,0.47000000000000014
+90-02-8,O=Cc1ccccc1O,1.4619999999999997
+110-16-7,OC(=O)/C=C\C(=O)O,-0.23600000000000018
+882-09-7,OC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.4740000000000002
+60-00-4,OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.1030000000000002
+1071-83-6,OC(=O)CNCP(=O)(O)O,0.9079999999999998
+15307-86-5,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,1.1210000000000004
+107-07-3,OCCCl,-0.42099999999999976
+108-01-0,OCCN(C)C,-0.04099999999999992
+112-27-6,OCCOCCOCCO,-2.54
+58-90-2,Oc1c(Cl)cc(c(c1Cl)Cl)Cl,3.1100000000000003
+609-19-8,Oc1cc(Cl)c(c(c1)Cl)Cl,2.4610000000000003
+102-08-9,S=C(Nc1ccccc1)Nc1ccccc1,0.5310000000000001
+33813-20-6,S=C1SSC2=NCCN12,2.9219999999999997
+88-73-3,[O-][N+](=O)c1ccccc1Cl,0.6400000000000001
+129-00-0,c1cc2ccc3c4c2c(c1)ccc4ccc3,3.173
+122-66-7,c1ccc(cc1)NNc1ccccc1,1.6509999999999998
+92-83-1,c1ccc2c(c1)Oc1c(C2)cccc1,0.9529999999999998
+56-55-3,c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,3.2190000000000003
+132-64-9,c1ccc2c(c1)oc1c2cccc1,1.995
+71-43-2,c1ccccc1,-0.52
index c297f54..197fb77 100644 (file)
 SID,SMILES,Carcinogenicity-Mouse
-48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogen
-48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogen
-48413130,CC=NN(C)C=O,carcinogen
-48413132,CC(=O)N,carcinogen
-48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogen
-48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogen
-48413136,CC#N,non-carcinogen
-48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,non-carcinogen
-48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogen
-48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogen
-48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogen
-48413142,CC(=O)NNC1=CC=CC=C1,carcinogen
-48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogen
-48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogen
-48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogen
-48413150,C=CC=O,non-carcinogen
-48413156,C=CC#N,carcinogen
-48413159,C(CCC(=O)N)CC(=O)N,non-carcinogen
-48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogen
-48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,non-carcinogen
-48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
-48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogen
-48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413172,C=CCCl,non-carcinogen
-48413173,C=CCOCC1CO1,carcinogen
-48413174,C=CCN=C=S,non-carcinogen
-48413175,CC(C)CC(=O)OCC=C,carcinogen
-48413177,C=CCNN.Cl,carcinogen
-48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogen
-48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogen
-48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,carcinogen
-48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogen
-48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogen
-48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogen
-48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogen
-48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogen
-48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,non-carcinogen
-48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,non-carcinogen
-48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,non-carcinogen
-48413192,C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-],carcinogen
-48413193,C1=C(SC(=N1)N)[N+](=O)[O-],non-carcinogen
-48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogen
-48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,non-carcinogen
-48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogen
-48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogen
-48413203,C1=NNC(=N1)N,carcinogen
-48413204,C(CCCCCN)CCCCC(=O)O,non-carcinogen
-48413205,[NH4+].[Cl-],non-carcinogen
-48413207,[NH4+].[OH-],non-carcinogen
-48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogen
-48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogen
-48413213,CC=CC1=CC=C(C=C1)OC,non-carcinogen
-48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogen
-48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogen
-48413218,C1=CC=C(C=C1)N.Cl,non-carcinogen
-48413219,COC1=CC=CC=C1N.Cl,carcinogen
-48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogen
-48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogen
-48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogen
-48413223,C12C(O[Sb]3OC(C(O[Sb](O1)OC2=O)C(=O)[O-])C(=O)O3)C(=O)[O-].O.O.O.[K+].[K+],non-carcinogen
-48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogen
-48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogen
-48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogen
-48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogen
-48413233,[O-][As]=O.[Na+],non-carcinogen
-48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogen
-48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogen
-48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogen
-48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogen
-48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogen
-48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogen
-48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogen
-48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogen
-48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogen
-48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,non-carcinogen
-48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogen
-48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogen
-48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogen
-48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogen
-48413263,C1=CC=C(C=C1)C=O,carcinogen
-48413264,C1=CC=CC=C1,carcinogen
-48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogen
-48413266,C1=CC=C(C=C1)S(=O)(=O)NNC(=S)N,non-carcinogen
-48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogen
-48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
-48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogen
-48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogen
-48413271,C1=CC=C2C(=C1)C=CO2,carcinogen
-48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogen
-48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogen
-48413275,C1=CC(=O)C=CC1=O,carcinogen
-48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogen
-48413277,C1=CC2=NNN=C2C=C1,non-carcinogen
-48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogen
-48413279,C1=CC=C(C=C1)C(=O)NN,carcinogen
-48413280,CC(=O)OCC1=CC=CC=C1,carcinogen
-48413281,C1=CC=C(C=C1)CO,non-carcinogen
-48413282,C1=CC=C(C=C1)CCl,carcinogen
-48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,carcinogen
-48413286,C1=CC=C(C=C1)CNN.Cl.Cl,carcinogen
-48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogen
-48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogen
-48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogen
-48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogen
-48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogen
-48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,carcinogen
-48413293,C(C(CO)(CBr)CBr)O,carcinogen
-48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogen
-48413296,CC(CCl)OC(C)CCl,carcinogen
-48413297,C(CCl)OCCCl,carcinogen
-48413298,C(CCOCCl)COCCl,non-carcinogen
-48413299,C(COCCl)OCCl,carcinogen
-48413300,C(CCCOCCl)CCOCCl,non-carcinogen
-48413301,C1=CC(=CC=C1COCCl)COCCl,carcinogen
-48413302,C(OCCl)Cl,carcinogen
-48413307,C(CO)N(CCO)C(=S)[S-].[K+],carcinogen
-48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogen
-48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogen
-48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogen
-48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogen
-48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogen
-48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,non-carcinogen
-48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogen
-48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogen
-48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogen
-48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogen
-48413324,B(O)(O)O,non-carcinogen
-48413325,[O-]Br(=O)=O.[K+],carcinogen
-48413326,C(C=O)Br,non-carcinogen
-48413327,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,non-carcinogen
-48413328,C(Cl)(Cl)Br,carcinogen
-48413329,CCBr,carcinogen
-48413330,C(CBr)O,carcinogen
-48413333,C=CC=C,carcinogen
-48413334,CCCCOCCO,carcinogen
-48413335,CC(C)(C)O,carcinogen
-48413336,CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2,non-carcinogen
-48413337,CCCCCl,non-carcinogen
-48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413339,CCCCN(C=O)N,carcinogen
-48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogen
-48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogen
-48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogen
-48413348,CCCCN(CCCC)N,carcinogen
-48413349,CCCCNN.Cl,carcinogen
-48413350,CCCCNNCCCC.Cl.Cl,carcinogen
-48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogen
-48413354,CCCCNC(=O)N,non-carcinogen
-48413356,C1CC(=O)OC1,non-carcinogen
-48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogen
-48413358,[Cl-].[Cl-].[Cd+2],non-carcinogen
-48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogen
-48413361,[O-]S(=O)(=O)[O-].[Cd+2],non-carcinogen
-48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogen
-48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogen
-48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogen
-48413365,CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogen
-48413372,C1CCC(=O)NCC1,non-carcinogen
-48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogen
-48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogen
-48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
-48413376,C(=O)(N)NN.Cl,carcinogen
-48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogen
-48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,non-carcinogen
-48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogen
-48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogen
-48413382,C(Cl)(Cl)(Cl)Cl,carcinogen
-48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogen
-48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogen
-48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogen
-48413390,C1=CC=C(C(=C1)O)O,carcinogen
-48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogen
-48413394,CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,non-carcinogen
-48413395,C(C(Cl)(Cl)Cl)(O)O,carcinogen
-48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,carcinogen
-48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogen
-48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogen
-48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogen
-48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413405,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],non-carcinogen
-48413407,ClCl,non-carcinogen
-48413408,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogen
-48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogen
-48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogen
-48413413,CC(=C)CCl,carcinogen
-48413413,CC(=C)CCl,carcinogen
-48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogen
-48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogen
-48413417,C1=CC(=C(C=C1N)N)Cl,carcinogen
-48413418,C1=CC(=C(C=C1Cl)N)N,carcinogen
-48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogen
-48413420,CC(CCl)O,non-carcinogen
-48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogen
-48413422,CC1=C(C=C(C=C1)Cl)N,carcinogen
-48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogen
-48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogen
-48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogen
-48413427,C(C=O)Cl,carcinogen
-48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogen
-48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogen
-48413430,C1=CC(=CC=C1N)Cl,non-carcinogen
-48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogen
-48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogen
-48413433,C1=CC=C(C=C1)Cl,non-carcinogen
-48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogen
-48413435,C(Cl)(Br)Br,carcinogen
-48413436,C(F)(F)Cl,non-carcinogen
-48413437,CCCl,carcinogen
-48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogen
-48413441,C(Cl)(Cl)Cl,carcinogen
-48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogen
-48413444,C1=CC(=CN=C1)CCl.Cl,carcinogen
-48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
-48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,non-carcinogen
-48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogen
-48413451,C=CC(=C)Cl,carcinogen
-48413453,CC(C=O)Cl,carcinogen
-48413454,CC=CCl,carcinogen
-48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,non-carcinogen
-48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogen
-48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogen
-48413461,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+],non-carcinogen
-48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogen
-48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogen
-48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogen
-48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogen
-48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogen
-48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogen
-48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogen
-48413470,CC(=CCCC(=CC=O)C)C,non-carcinogen
-48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogen
-48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,non-carcinogen
-48413476,CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen
-48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogen
-48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogen
-48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogen
-48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogen
-48413483,CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2,carcinogen
-48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogen
-48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogen
-48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogen
-48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogen
-48413488,CC1=C(C=CC(=C1)OC)N,non-carcinogen
-48413489,CC1=CC(=C(C=C1)OC)N,carcinogen
-48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogen
-48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogen
-48413496,CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO,carcinogen
-48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogen
-48413499,C1CCC(=O)CC1,non-carcinogen
-48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogen
-48413501,C1CCC(CC1)N.Cl,non-carcinogen
-48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogen
-48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogen
-48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogen
-48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogen
-48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],non-carcinogen
-48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogen
-48413511,CN(C)NC(=O)CCC(=O)O,carcinogen
-48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
-48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogen
-48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogen
-48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogen
-48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,non-carcinogen
-48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogen
-48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogen
-48413524,CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO,non-carcinogen
-48413532,CC(=O)NNC(=O)C,non-carcinogen
-48413533,CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,carcinogen
-48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogen
-48413535,C=CCN(CC=C)N,carcinogen
-48413536,C=CCNNCC=C.Cl.Cl,carcinogen
-48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogen
-48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogen
-48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogen
-48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,carcinogen
-48413544,CC1=C(C=C(C=C1)N)N,carcinogen
-48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogen
-48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogen
-48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogen
-48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogen
-48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogen
-48413551,C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32,carcinogen
-48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogen
-48413555,C(C(CBr)Br)Cl,carcinogen
-48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
-48413557,C(CBr)Br,carcinogen
-48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
-48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogen
-48413562,CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl,carcinogen
-48413563,C1COC(C(O1)Cl)Cl,non-carcinogen
-48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogen
-48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogen
-48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogen
-48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogen
-48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogen
-48413570,C(C(=O)O)(Cl)Cl,carcinogen
-48413571,C(#CCl)Cl,carcinogen
-48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogen
-48413573,C1=CC(=CC=C1Cl)Cl,carcinogen
-48413575,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogen
-48413577,C(C=CCCl)Cl,carcinogen
-48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogen
-48413579,C(F)(F)(Cl)Cl,non-carcinogen
-48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
-48413581,CC(Cl)Cl,non-carcinogen
-48413582,C(CCl)Cl,carcinogen
-48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogen
-48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogen
-48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogen
-48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogen
-48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogen
-48413592,CC(CCl)Cl,carcinogen
-48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogen
-48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,carcinogen
-48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogen
-48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogen
-48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogen
-48413601,CCOP(=O)(CC1CO1)OCC,non-carcinogen
-48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogen
-48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogen
-48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogen
-48413612,CCNC(=S)NCC,non-carcinogen
-48413614,C(=O)NNC=O,carcinogen
-48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogen
-48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogen
-48413620,C1CC(=O)OC2=CC=CC=C21,carcinogen
-48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogen
-48413622,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N.Cl.Cl,carcinogen
-48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogen
-48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogen
-48413629,CC1CC(OC(O1)C)OC(=O)C,non-carcinogen
-48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogen
-48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogen
-48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,non-carcinogen
-48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogen
-48413641,CO[P+](=O)OC,non-carcinogen
-48413642,COP(=O)(C)OC,non-carcinogen
-48413643,COP(=O)(N1CCOCC1)OC,non-carcinogen
-48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogen
-48413647,CC(=O)N(C)C,non-carcinogen
-48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,non-carcinogen
-48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogen
-48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogen
-48413653,CN(C)CCO,non-carcinogen
-48413656,CN(C)C1=CC=CC=C1,non-carcinogen
-48413657,C[As](=O)(C)O,non-carcinogen
-48413659,CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C,carcinogen
-48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogen
-48413661,CN(C)C(=O)Cl,carcinogen
-48413662,CNC.CN(C)C(=S)S,non-carcinogen
-48413664,CN(C)C=O,non-carcinogen
-48413665,CN(C)N,carcinogen
-48413666,CNNC.Cl.Cl,carcinogen
-48413670,CC(=CCl)C,carcinogen
-48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413673,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,non-carcinogen
-48413674,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+],non-carcinogen
-48413678,C1CN(CCN1N=O)N=O,carcinogen
-48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogen
-48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogen
-48413684,C1COCCO1,carcinogen
-48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogen
-48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogen
-48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogen
-48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogen
-48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogen
-48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,carcinogen
-48413694,CCC(O)OC(CC)O,non-carcinogen
-48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogen
-48413697,C(=S)(N)NNC(=S)N,non-carcinogen
-48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogen
-48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogen
-48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogen
-48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogen
-48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogen
-48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogen
-48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogen
-48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogen
-48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogen
-48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogen
-48413721,C1C(O1)CCl,non-carcinogen
-48413722,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,non-carcinogen
-48413724,CCC1CO1,non-carcinogen
-48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogen
-48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogen
-48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogen
-48413728,CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,non-carcinogen
-48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,carcinogen
-48413730,COC1=CC=C(C=C1)CC=C,carcinogen
-48413732,CCC1=NC=CC(=C1)C(=S)N,carcinogen
-48413734,CCSCCC(C(=O)O)N,carcinogen
-48413736,CCOC1=CC=CC=C1C(=O)N,carcinogen
-48413738,CCOC(=O)C=C,carcinogen
-48413739,CCO,non-carcinogen
-48413742,CCOC(=O)CBr,non-carcinogen
-48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogen
-48413745,CCN(C=O)N,carcinogen
-48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogen
-48413751,CCC1=CC=CC=C1,carcinogen
-48413752,C(CO)O,non-carcinogen
-48413753,C1COS(=O)(=O)O1,non-carcinogen
-48413754,C1CN1,carcinogen
-48413755,C1CO1,carcinogen
-48413756,C1CNC(=S)N1,carcinogen
-48413757,C1CNC(=O)N1,non-carcinogen
-48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogen
-48413760,CCCCC(CC)CO,carcinogen
-48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogen
-48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogen
-48413763,CCNN.Cl,carcinogen
-48413768,CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N,carcinogen
-48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogen
-48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogen
-48413771,CC1(C2CCC(O1)(CC2)C)C,non-carcinogen
-48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogen
-48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogen
-48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogen
-48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogen
-48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogen
-48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogen
-48413780,CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,carcinogen
-48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogen
-48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,non-carcinogen
-48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogen
-48413785,[F-].[Na+],non-carcinogen
-48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogen
-48413789,C1=C(C(=O)NC(=O)N1)F,carcinogen
-48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogen
-48413792,C=O,carcinogen
-48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogen
-48413797,C(=O)NN,carcinogen
-48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogen
-48413801,C1=COC=C1,carcinogen
-48413802,C1=COC(=C1)C=O,carcinogen
-48413803,C1=COC(=C1)CO,carcinogen
-48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,carcinogen
-48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,non-carcinogen
-48413809,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],carcinogen
-48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogen
-48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogen
-48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogen
-48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogen
-48413815,C(CC(=O)O)C(C(=O)O)N,non-carcinogen
-48413816,C1=CC(=CC=C1C(=O)O)NNC(=O)CCC(C(=O)O)N,carcinogen
-48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogen
-48413818,C(CC=O)CC=O,non-carcinogen
-48413823,C1C(O1)CO,carcinogen
-48413825,C1COS(=O)O1,non-carcinogen
-48413827,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Na+].[Na+],non-carcinogen
-48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],non-carcinogen
-48413829,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogen
-48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogen
-48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogen
-48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogen
-48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogen
-48413848,CC=CC=CC=O,carcinogen
-48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogen
-48413850,C1N2CN3CN1CN(C2)C3,non-carcinogen
-48413853,CCCCCC=NN(C)C=O,carcinogen
-48413854,CCCCCC(=O)N,carcinogen
-48413855,CCCCCC,carcinogen
-48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogen
-48413861,NN,carcinogen
-48413862,NN.OS(=O)(=O)O,carcinogen
-48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogen
-48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogen
-48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogen
-48413867,C1=CC(=CC=C1C(=O)O)NN,non-carcinogen
-48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogen
-48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogen
-48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogen
-48413874,OO,carcinogen
-48413875,C1=CC(=CC=C1O)O,carcinogen
-48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogen
-48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogen
-48413880,CCOC1=CC=C(C=C1)NC(=O)CC(C)O,carcinogen
-48413882,COC1=CC=C(C=C1)C(C=C)O,carcinogen
-48413885,C(CO)N(C(=O)N)N=O,carcinogen
-48413887,C(CO)NN,carcinogen
-48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogen
-48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogen
-48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogen
-48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogen
-48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogen
-48413896,C1=CC=C2C(=C1)C=CN2,non-carcinogen
-48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogen
-48413900,CC(C1OCC(O1)CO)I,carcinogen
-48413902,C(I)(I)I,non-carcinogen
-48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogen
-48413908,CC(=C)C,non-carcinogen
-48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogen
-48413910,CC(C)CON=O,carcinogen
-48413912,CC(C)C=O,non-carcinogen
-48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogen
-48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogen
-48413916,C1=CN=CC=C1C(=O)NN,carcinogen
-48413917,C1=CN=CC=C1C(=O)N,non-carcinogen
-48413918,C1=CN=CC=C1C(=O)O,non-carcinogen
-48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogen
-48413920,CC1=CC(=O)CC(C1)(C)C,non-carcinogen
-48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogen
-48413922,CC(=C)C=C,carcinogen
-48413923,CC(C)O,non-carcinogen
-48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogen
-48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogen
-48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogen
-48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogen
-48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogen
-48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413935,C1=C(OC=C(C1=O)O)CO,carcinogen
-48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],non-carcinogen
-48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogen
-48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogen
-48413940,CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C,carcinogen
-48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogen
-48413942,CC1=CCC(CC1)C(=C)C,non-carcinogen
-48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogen
-48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogen
-48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,non-carcinogen
-48413951,CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O,carcinogen
-48413952,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogen
-48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogen
-48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogen
-48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogen
-48413956,C1=CC(=O)NNC1=O,non-carcinogen
-48413957,C(=C[O-])C=O.[Na+],carcinogen
-48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],non-carcinogen
-48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogen
-48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
-48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogen
-48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogen
-48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogen
-48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogen
-48413966,C1(=NC(=NC(=N1)N)N)N,non-carcinogen
-48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogen
-48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogen
-48413971,C1=CC=C2C(=C1)NC(=S)S2,non-carcinogen
-48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogen
-48413975,[Cl-].[Cl-].[Hg+2],non-carcinogen
-48413976,[Cl-].[Hg+],non-carcinogen
-48413977,C[Hg]Cl,carcinogen
-48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogen
-48413980,CC(=C)C#N,non-carcinogen
-48413984,COC1=NN(C(=O)S1)CSP(=S)(OC)OC,carcinogen
-48413986,CSCCC(C(=O)O)N,non-carcinogen
-48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogen
-48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogen
-48413989,COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N,carcinogen
-48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogen
-48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogen
-48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,non-carcinogen
-48413997,CBr,non-carcinogen
-48413998,CC(C)(C)OC,carcinogen
-48413999,COC(=O)N,non-carcinogen
-48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogen
-48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogen
-48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogen
-48414006,CN(C=O)N,carcinogen
-48414007,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O,non-carcinogen
-48414010,CC(=C)C(=O)OC,non-carcinogen
-48414011,COS(=O)(=O)C,carcinogen
-48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogen
-48414020,CCCCCCC(=O)C=CCCCCCCCCC(=O)OC,non-carcinogen
-48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414022,CN1CCCC1=O,carcinogen
-48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogen
-48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogen
-48414025,CC(C1=CC=CC=C1)O,non-carcinogen
-48414026,CC(C)CC=NN(C)C=O,carcinogen
-48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogen
-48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogen
-48414034,C(Cl)Cl,carcinogen
-48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogen
-48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
-48414038,CCC(=NO)C,carcinogen
-48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogen
-48414042,CNN,carcinogen
-48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogen
-48414045,CC1=NC=CN1,carcinogen
-48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogen
-48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogen
-48414051,CN(C1=NC=NC2=C1NC=N2)N=O,carcinogen
-48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogen
-48414054,C=CC(=O)NCO,carcinogen
-48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogen
-48414058,CC1=CC=C(C=C1)C=C,non-carcinogen
-48414059,CC1=CC(=O)NC(=S)N1,non-carcinogen
-48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogen
-48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogen
-48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogen
-48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogen
-48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogen
-48414069,O=[Mo](=O)=O,carcinogen
-48414070,CC(=O)NN,carcinogen
-48414071,C(C(=O)O)Cl,non-carcinogen
-48414073,C[As](=O)(O)O,non-carcinogen
-48414076,C(CC(=O)[O-])C(C(=O)O)N.[Na+],non-carcinogen
-48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogen
-48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,non-carcinogen
-48414084,C1=CC=C2C=CC=CC2=C1,carcinogen
-48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogen
-48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogen
-48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogen
-48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogen
-48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogen
-48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogen
-48414091,C1=CC=C2C(=C1)C=CC=C2N,carcinogen
-48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogen
-48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogen
-48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogen
-48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogen
-48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogen
-48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogen
-48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogen
-48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogen
-48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogen
-48414104,C1=CC(=CN=C1)C(=O)NN,carcinogen
-48414106,[O-][Nb](=O)=O.[Na+],non-carcinogen
-48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogen
-48414109,[N]=O,non-carcinogen
-48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogen
-48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],non-carcinogen
-48414112,N(=O)[O-].[Na+],non-carcinogen
-48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],carcinogen
-48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
-48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogen
-48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogen
-48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogen
-48414126,CCC=C(CC)[N+](=O)[O-],carcinogen
-48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogen
-48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,carcinogen
-48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogen
-48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
-48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogen
-48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogen
-48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogen
-48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogen
-48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogen
-48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],non-carcinogen
-48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogen
-48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414148,C[N+](=O)[O-],carcinogen
-48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogen
-48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogen
-48414177,CN(C(=O)N)N=O,carcinogen
-48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogen
-48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogen
-48414197,CCCCN(CCCC)N=O,carcinogen
-48414200,CN(C)N=O,carcinogen
-48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,non-carcinogen
-48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogen
-48414211,C1CCCN(CC1)N=O,carcinogen
-48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogen
-48414233,C1CCN(CC1)N=O,carcinogen
-48414235,C1CCN(C1)N=O,carcinogen
-48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414240,CC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414241,N#[N+][O-],non-carcinogen
-48414242,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO,non-carcinogen
-48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogen
-48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogen
-48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogen
-48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogen
-48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogen
-48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogen
-48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,non-carcinogen
-48414256,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],non-carcinogen
-48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogen
-48414261,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogen
-48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogen
-48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogen
-48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,non-carcinogen
-48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogen
-48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogen
-48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogen
-48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogen
-48414275,[O-][O+]=O,carcinogen
-48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogen
-48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogen
-48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogen
-48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogen
-48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogen
-48414287,CCCCC=NN(C)C=O,carcinogen
-48414289,CCCCCNN.Cl,carcinogen
-48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogen
-48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogen
-48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogen
-48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogen
-48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogen
-48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogen
-48414301,C1=CC=C(C=C1)O,non-carcinogen
-48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogen
-48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogen
-48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogen
-48414306,C1=CC=C(C=C1)N=C=S,non-carcinogen
-48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogen
-48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogen
-48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogen
-48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogen
-48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogen
-48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogen
-48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,non-carcinogen
-48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogen
-48414315,C1=CC(=CC(=C1)N)N,non-carcinogen
-48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogen
-48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogen
-48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogen
-48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogen
-48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogen
-48414325,C1=CC=C(C=C1)NN,non-carcinogen
-48414326,C1=CC=C(C=C1)NN.Cl,carcinogen
-48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogen
-48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogen
-48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,non-carcinogen
-48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogen
-48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],non-carcinogen
-48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogen
-48414334,CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O,carcinogen
-48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogen
-48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogen
-48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogen
-48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogen
-48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,carcinogen
-48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogen
-48414350,CC1(COC1=O)C,non-carcinogen
-48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogen
-48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogen
-48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogen
-48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogen
-48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogen
-48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogen
-48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogen
-48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogen
-48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogen
-48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,carcinogen
-48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogen
-48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogen
-48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogen
-48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogen
-48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogen
-48414380,C1COC1=O,carcinogen
-48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogen
-48414382,CCCCN(CC)C(=O)SCCC,non-carcinogen
-48414383,CCCN(C=O)N,carcinogen
-48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogen
-48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogen
-48414388,CC=C,non-carcinogen
-48414390,CC(COC(C)(C)C)O,carcinogen
-48414391,CC1CO1,carcinogen
-48414392,CCCNN.Cl,carcinogen
-48414393,CCCC1=CC(=O)NC(=S)N1,carcinogen
-48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogen
-48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogen
-48414400,C1=CC=NC=C1,carcinogen
-48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogen
-48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,non-carcinogen
-48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogen
-48414407,C1=CC(=CC=C1NO)N=O,non-carcinogen
-48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogen
-48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogen
-48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogen
-48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],non-carcinogen
-48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogen
-48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],non-carcinogen
-48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogen
-48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogen
-48414423,C1=CC(=CC(=C1)O)O,non-carcinogen
-48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogen
-48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogen
-48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogen
-48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogen
-48414430,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,carcinogen
-48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogen
-48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogen
-48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogen
-48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogen
-48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],non-carcinogen
-48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogen
-48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogen
-48414443,CC1=CCCC(=CC=C(C(CC(=CCC1)C)O)C(C)C)C,non-carcinogen
-48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogen
-48414446,[Se],non-carcinogen
-48414447,CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,carcinogen
-48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogen
-48414449,O=[Se]=O,non-carcinogen
-48414450,S=[Se],carcinogen
-48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogen
-48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogen
-48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogen
-48414455,C(=O)(O)[O-].[Na+],non-carcinogen
-48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogen
-48414457,[Na+].[Cl-],non-carcinogen
-48414458,[O-]Cl=O.[Na+],non-carcinogen
-48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogen
-48414461,[O-]Cl.[Na+],non-carcinogen
-48414463,CC=CC=CC(=O)O,non-carcinogen
-48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogen
-48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogen
-48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogen
-48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogen
-48414471,C=CC1=CC=CC=C1,carcinogen
-48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogen
-48414473,C1C(O1)C2=CC=CC=C2,carcinogen
-48414474,C1CC(=O)OC1=O,non-carcinogen
-48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogen
-48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogen
-48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogen
-48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogen
-48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogen
-48414480,[O-]S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
-48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogen
-48414483,C1C=CCS1(=O)=O,non-carcinogen
-48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogen
-48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogen
-48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogen
-48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogen
-48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogen
-48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogen
-48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogen
-48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogen
-48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogen
-48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogen
-48414506,C(C(Cl)(Cl)Cl)Cl,carcinogen
-48414507,C(C(Cl)Cl)(Cl)Cl,carcinogen
-48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogen
-48414509,COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl,carcinogen
-48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogen
-48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogen
-48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,carcinogen
-48414513,C(C(F)(F)F)F,non-carcinogen
-48414514,C(=C(F)F)(F)F,carcinogen
-48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogen
-48414517,C1CCOC1,carcinogen
-48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogen
-48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogen
-48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
-48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogen
-48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogen
-48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogen
-48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogen
-48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogen
-48414529,CC(=S)N,carcinogen
-48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogen
-48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogen
-48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogen
-48414535,C(=S)(N)NN,non-carcinogen
-48414536,C1=CNC(=S)NC1=O,carcinogen
-48414537,C(=S)(N)N,non-carcinogen
-48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogen
-48414540,[Cl-].[Cl-].[Sn+2],non-carcinogen
-48414541,O=[Ti]=O,non-carcinogen
-48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogen
-48414546,CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,carcinogen
-48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogen
-48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogen
-48414549,CC1=CC=CC=C1,non-carcinogen
-48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogen
-48414552,CC1=CC(=CC=C1)N.Cl,carcinogen
-48414553,CC1=CC=CC=C1N.Cl,carcinogen
-48414554,CC1=CC=C(C=C1)N.Cl,carcinogen
-48414555,CC1=CC=C(C=C1)NC(=O)N,carcinogen
-48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogen
-48414561,C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N,carcinogen
-48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogen
-48414563,C(Br)(Br)Br,non-carcinogen
-48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogen
-48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogen
-48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogen
-48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogen
-48414570,C(C(Cl)Cl)Cl,carcinogen
-48414571,CC(Cl)(Cl)Cl,non-carcinogen
-48414572,C(=C(Cl)Cl)Cl,carcinogen
-48414572,C(=C(Cl)Cl)Cl,carcinogen
-48414574,C(F)(Cl)(Cl)Cl,non-carcinogen
-48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
-48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogen
-48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogen
-48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogen
-48414580,C(C(CCl)Cl)Cl,carcinogen
-48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogen
-48414582,C(CO)N(CCO)CCO,carcinogen
-48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogen
-48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogen
-48414588,CC1=CC(=C(C=C1C)N)C,carcinogen
-48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogen
-48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogen
-48414593,COP(=O)(OC)OC,carcinogen
-48414594,CNC(=S)N(C)C,non-carcinogen
-48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogen
-48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogen
-48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogen
-48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogen
-48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogen
-48414602,C(C(COCCl)OCCl)OCCl,carcinogen
-48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogen
-48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,carcinogen
-48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogen
-48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogen
-48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
-48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
-48414615,CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.CC(C(=O)O)O,non-carcinogen
-48414616,C1=CNC(=O)NC1=O,carcinogen
-48414618,C(=O)(N)N,non-carcinogen
-48414619,CCOC(=O)N,carcinogen
-48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogen
-48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
-48414623,CC(=O)OC=C,carcinogen
-48414625,C=COC(=O)N,carcinogen
-48414626,C=CCl,carcinogen
-48414627,C=CF,carcinogen
-48414628,CC1=CC=CC(=C1)C=C,non-carcinogen
-48414629,C=CC1CCC=CC1,carcinogen
-48414630,C=C(Cl)Cl,carcinogen
-48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],non-carcinogen
-48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogen
-48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
-48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogen
-48414640,CC1=CC(=CC=C1)C,non-carcinogen
-48414641,CC1=CC(=C(C=C1)N)C.Cl,carcinogen
-48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogen
-48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogen
-48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogen
-48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogen
-48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogen
-48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,carcinogen
-48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogen
-48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414650,CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O,non-carcinogen
-48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogen
-48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogen
-48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogen
-48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogen
-48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],non-carcinogen
-48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogen
-48414659,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4],non-carcinogen
+48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogenic
+48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogenic
+48413130,CC=NN(C)C=O,carcinogenic
+48413132,CC(=O)N,carcinogenic
+48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
+48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
+48413136,CC#N,non-carcinogenic
+48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,non-carcinogenic
+48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogenic
+48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogenic
+48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogenic
+48413142,CC(=O)NNC1=CC=CC=C1,carcinogenic
+48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
+48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
+48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogenic
+48413150,C=CC=O,non-carcinogenic
+48413156,C=CC#N,carcinogenic
+48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
+48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
+48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,non-carcinogenic
+48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
+48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413172,C=CCCl,non-carcinogenic
+48413173,C=CCOCC1CO1,carcinogenic
+48413174,C=CCN=C=S,non-carcinogenic
+48413175,CC(C)CC(=O)OCC=C,carcinogenic
+48413177,C=CCNN.Cl,carcinogenic
+48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
+48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
+48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,carcinogenic
+48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
+48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
+48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
+48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
+48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogenic
+48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,non-carcinogenic
+48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,non-carcinogenic
+48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,non-carcinogenic
+48413192,C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-],carcinogenic
+48413193,C1=C(SC(=N1)N)[N+](=O)[O-],non-carcinogenic
+48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
+48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,non-carcinogenic
+48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogenic
+48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogenic
+48413203,C1=NNC(=N1)N,carcinogenic
+48413204,C(CCCCCN)CCCCC(=O)O,non-carcinogenic
+48413205,[NH4+].[Cl-],non-carcinogenic
+48413207,[NH4+].[OH-],non-carcinogenic
+48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
+48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
+48413213,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
+48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogenic
+48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
+48413218,C1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413219,COC1=CC=CC=C1N.Cl,carcinogenic
+48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
+48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogenic
+48413223,C12C(O[Sb]3OC(C(O[Sb](O1)OC2=O)C(=O)[O-])C(=O)O3)C(=O)[O-].O.O.O.[K+].[K+],non-carcinogenic
+48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
+48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogenic
+48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
+48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogenic
+48413233,[O-][As]=O.[Na+],non-carcinogenic
+48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
+48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
+48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
+48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogenic
+48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
+48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
+48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogenic
+48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogenic
+48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
+48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,non-carcinogenic
+48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
+48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
+48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
+48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
+48413263,C1=CC=C(C=C1)C=O,carcinogenic
+48413264,C1=CC=CC=C1,carcinogenic
+48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogenic
+48413266,C1=CC=C(C=C1)S(=O)(=O)NNC(=S)N,non-carcinogenic
+48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
+48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
+48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
+48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
+48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
+48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
+48413275,C1=CC(=O)C=CC1=O,carcinogenic
+48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogenic
+48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
+48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogenic
+48413279,C1=CC=C(C=C1)C(=O)NN,carcinogenic
+48413280,CC(=O)OCC1=CC=CC=C1,carcinogenic
+48413281,C1=CC=C(C=C1)CO,non-carcinogenic
+48413282,C1=CC=C(C=C1)CCl,carcinogenic
+48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,carcinogenic
+48413286,C1=CC=C(C=C1)CNN.Cl.Cl,carcinogenic
+48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
+48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
+48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogenic
+48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogenic
+48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogenic
+48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,carcinogenic
+48413293,C(C(CO)(CBr)CBr)O,carcinogenic
+48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogenic
+48413296,CC(CCl)OC(C)CCl,carcinogenic
+48413297,C(CCl)OCCCl,carcinogenic
+48413298,C(CCOCCl)COCCl,non-carcinogenic
+48413299,C(COCCl)OCCl,carcinogenic
+48413300,C(CCCOCCl)CCOCCl,non-carcinogenic
+48413301,C1=CC(=CC=C1COCCl)COCCl,carcinogenic
+48413302,C(OCCl)Cl,carcinogenic
+48413307,C(CO)N(CCO)C(=S)[S-].[K+],carcinogenic
+48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
+48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogenic
+48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogenic
+48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogenic
+48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,non-carcinogenic
+48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
+48413324,B(O)(O)O,non-carcinogenic
+48413325,[O-]Br(=O)=O.[K+],carcinogenic
+48413326,C(C=O)Br,non-carcinogenic
+48413327,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,non-carcinogenic
+48413328,C(Cl)(Cl)Br,carcinogenic
+48413329,CCBr,carcinogenic
+48413330,C(CBr)O,carcinogenic
+48413333,C=CC=C,carcinogenic
+48413334,CCCCOCCO,carcinogenic
+48413335,CC(C)(C)O,carcinogenic
+48413336,CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2,non-carcinogenic
+48413337,CCCCCl,non-carcinogenic
+48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413339,CCCCN(C=O)N,carcinogenic
+48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
+48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogenic
+48413348,CCCCN(CCCC)N,carcinogenic
+48413349,CCCCNN.Cl,carcinogenic
+48413350,CCCCNNCCCC.Cl.Cl,carcinogenic
+48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogenic
+48413354,CCCCNC(=O)N,non-carcinogenic
+48413356,C1CC(=O)OC1,non-carcinogenic
+48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
+48413358,[Cl-].[Cl-].[Cd+2],non-carcinogenic
+48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogenic
+48413361,[O-]S(=O)(=O)[O-].[Cd+2],non-carcinogenic
+48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogenic
+48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
+48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
+48413365,CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogenic
+48413372,C1CCC(=O)NCC1,non-carcinogenic
+48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogenic
+48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
+48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48413376,C(=O)(N)NN.Cl,carcinogenic
+48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogenic
+48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,non-carcinogenic
+48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogenic
+48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogenic
+48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
+48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
+48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogenic
+48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogenic
+48413390,C1=CC=C(C(=C1)O)O,carcinogenic
+48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
+48413394,CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,non-carcinogenic
+48413395,C(C(Cl)(Cl)Cl)(O)O,carcinogenic
+48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,carcinogenic
+48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
+48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogenic
+48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
+48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413405,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],non-carcinogenic
+48413407,ClCl,non-carcinogenic
+48413408,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogenic
+48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
+48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogenic
+48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogenic
+48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
+48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
+48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
+48413420,CC(CCl)O,non-carcinogenic
+48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
+48413422,CC1=C(C=C(C=C1)Cl)N,carcinogenic
+48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogenic
+48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
+48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
+48413427,C(C=O)Cl,carcinogenic
+48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
+48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
+48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
+48413433,C1=CC=C(C=C1)Cl,non-carcinogenic
+48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogenic
+48413435,C(Cl)(Br)Br,carcinogenic
+48413436,C(F)(F)Cl,non-carcinogenic
+48413437,CCCl,carcinogenic
+48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
+48413441,C(Cl)(Cl)Cl,carcinogenic
+48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
+48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
+48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,non-carcinogenic
+48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413453,CC(C=O)Cl,carcinogenic
+48413454,CC=CCl,carcinogenic
+48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,non-carcinogenic
+48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
+48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
+48413461,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+],non-carcinogenic
+48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
+48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
+48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
+48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
+48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
+48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
+48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
+48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
+48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,non-carcinogenic
+48413476,CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
+48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
+48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
+48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
+48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
+48413483,CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2,carcinogenic
+48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogenic
+48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogenic
+48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
+48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
+48413488,CC1=C(C=CC(=C1)OC)N,non-carcinogenic
+48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
+48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
+48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogenic
+48413496,CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO,carcinogenic
+48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogenic
+48413499,C1CCC(=O)CC1,non-carcinogenic
+48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogenic
+48413501,C1CCC(CC1)N.Cl,non-carcinogenic
+48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
+48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
+48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogenic
+48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogenic
+48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],non-carcinogenic
+48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
+48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
+48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
+48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogenic
+48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogenic
+48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,non-carcinogenic
+48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogenic
+48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
+48413524,CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO,non-carcinogenic
+48413532,CC(=O)NNC(=O)C,non-carcinogenic
+48413533,CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,carcinogenic
+48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
+48413535,C=CCN(CC=C)N,carcinogenic
+48413536,C=CCNNCC=C.Cl.Cl,carcinogenic
+48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
+48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogenic
+48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogenic
+48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,carcinogenic
+48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
+48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
+48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
+48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
+48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
+48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
+48413551,C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32,carcinogenic
+48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
+48413555,C(C(CBr)Br)Cl,carcinogenic
+48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413557,C(CBr)Br,carcinogenic
+48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
+48413562,CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl,carcinogenic
+48413563,C1COC(C(O1)Cl)Cl,non-carcinogenic
+48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogenic
+48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogenic
+48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogenic
+48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogenic
+48413570,C(C(=O)O)(Cl)Cl,carcinogenic
+48413571,C(#CCl)Cl,carcinogenic
+48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
+48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
+48413575,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogenic
+48413577,C(C=CCCl)Cl,carcinogenic
+48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
+48413579,C(F)(F)(Cl)Cl,non-carcinogenic
+48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413581,CC(Cl)Cl,non-carcinogenic
+48413582,C(CCl)Cl,carcinogenic
+48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
+48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogenic
+48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
+48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogenic
+48413592,CC(CCl)Cl,carcinogenic
+48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
+48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,carcinogenic
+48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
+48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
+48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
+48413601,CCOP(=O)(CC1CO1)OCC,non-carcinogenic
+48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
+48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
+48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
+48413612,CCNC(=S)NCC,non-carcinogenic
+48413614,C(=O)NNC=O,carcinogenic
+48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogenic
+48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
+48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
+48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
+48413622,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N.Cl.Cl,carcinogenic
+48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
+48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
+48413629,CC1CC(OC(O1)C)OC(=O)C,non-carcinogenic
+48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
+48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
+48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,non-carcinogenic
+48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
+48413641,CO[P+](=O)OC,non-carcinogenic
+48413642,COP(=O)(C)OC,non-carcinogenic
+48413643,COP(=O)(N1CCOCC1)OC,non-carcinogenic
+48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
+48413647,CC(=O)N(C)C,non-carcinogenic
+48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,non-carcinogenic
+48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogenic
+48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogenic
+48413653,CN(C)CCO,non-carcinogenic
+48413656,CN(C)C1=CC=CC=C1,non-carcinogenic
+48413657,C[As](=O)(C)O,non-carcinogenic
+48413659,CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C,carcinogenic
+48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
+48413661,CN(C)C(=O)Cl,carcinogenic
+48413662,CNC.CN(C)C(=S)S,non-carcinogenic
+48413664,CN(C)C=O,non-carcinogenic
+48413665,CN(C)N,carcinogenic
+48413666,CNNC.Cl.Cl,carcinogenic
+48413670,CC(=CCl)C,carcinogenic
+48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413673,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,non-carcinogenic
+48413674,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+],non-carcinogenic
+48413678,C1CN(CCN1N=O)N=O,carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413684,C1COCCO1,carcinogenic
+48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
+48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogenic
+48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
+48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogenic
+48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogenic
+48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,carcinogenic
+48413694,CCC(O)OC(CC)O,non-carcinogenic
+48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogenic
+48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
+48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogenic
+48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
+48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogenic
+48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
+48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogenic
+48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
+48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogenic
+48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogenic
+48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogenic
+48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
+48413721,C1C(O1)CCl,non-carcinogenic
+48413722,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,non-carcinogenic
+48413724,CCC1CO1,non-carcinogenic
+48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
+48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogenic
+48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
+48413728,CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,non-carcinogenic
+48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,carcinogenic
+48413730,COC1=CC=C(C=C1)CC=C,carcinogenic
+48413732,CCC1=NC=CC(=C1)C(=S)N,carcinogenic
+48413734,CCSCCC(C(=O)O)N,carcinogenic
+48413736,CCOC1=CC=CC=C1C(=O)N,carcinogenic
+48413738,CCOC(=O)C=C,carcinogenic
+48413739,CCO,non-carcinogenic
+48413742,CCOC(=O)CBr,non-carcinogenic
+48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
+48413745,CCN(C=O)N,carcinogenic
+48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
+48413751,CCC1=CC=CC=C1,carcinogenic
+48413752,C(CO)O,non-carcinogenic
+48413753,C1COS(=O)(=O)O1,non-carcinogenic
+48413754,C1CN1,carcinogenic
+48413755,C1CO1,carcinogenic
+48413756,C1CNC(=S)N1,carcinogenic
+48413757,C1CNC(=O)N1,non-carcinogenic
+48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogenic
+48413760,CCCCC(CC)CO,carcinogenic
+48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogenic
+48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
+48413763,CCNN.Cl,carcinogenic
+48413768,CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N,carcinogenic
+48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
+48413771,CC1(C2CCC(O1)(CC2)C)C,non-carcinogenic
+48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
+48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
+48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
+48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogenic
+48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogenic
+48413780,CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,carcinogenic
+48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
+48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,non-carcinogenic
+48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
+48413785,[F-].[Na+],non-carcinogenic
+48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogenic
+48413789,C1=C(C(=O)NC(=O)N1)F,carcinogenic
+48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
+48413792,C=O,carcinogenic
+48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
+48413797,C(=O)NN,carcinogenic
+48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogenic
+48413801,C1=COC=C1,carcinogenic
+48413802,C1=COC(=C1)C=O,carcinogenic
+48413803,C1=COC(=C1)CO,carcinogenic
+48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,carcinogenic
+48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,non-carcinogenic
+48413809,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],carcinogenic
+48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
+48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogenic
+48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
+48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
+48413815,C(CC(=O)O)C(C(=O)O)N,non-carcinogenic
+48413816,C1=CC(=CC=C1C(=O)O)NNC(=O)CCC(C(=O)O)N,carcinogenic
+48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogenic
+48413818,C(CC=O)CC=O,non-carcinogenic
+48413823,C1C(O1)CO,carcinogenic
+48413825,C1COS(=O)O1,non-carcinogenic
+48413827,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Na+].[Na+],non-carcinogenic
+48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],non-carcinogenic
+48413829,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogenic
+48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
+48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
+48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
+48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
+48413848,CC=CC=CC=O,carcinogenic
+48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogenic
+48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
+48413853,CCCCCC=NN(C)C=O,carcinogenic
+48413854,CCCCCC(=O)N,carcinogenic
+48413855,CCCCCC,carcinogenic
+48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
+48413861,NN,carcinogenic
+48413862,NN.OS(=O)(=O)O,carcinogenic
+48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
+48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
+48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
+48413867,C1=CC(=CC=C1C(=O)O)NN,non-carcinogenic
+48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogenic
+48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
+48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
+48413874,OO,carcinogenic
+48413875,C1=CC(=CC=C1O)O,carcinogenic
+48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogenic
+48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
+48413880,CCOC1=CC=C(C=C1)NC(=O)CC(C)O,carcinogenic
+48413882,COC1=CC=C(C=C1)C(C=C)O,carcinogenic
+48413885,C(CO)N(C(=O)N)N=O,carcinogenic
+48413887,C(CO)NN,carcinogenic
+48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
+48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
+48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
+48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
+48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
+48413896,C1=CC=C2C(=C1)C=CN2,non-carcinogenic
+48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogenic
+48413900,CC(C1OCC(O1)CO)I,carcinogenic
+48413902,C(I)(I)I,non-carcinogenic
+48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
+48413908,CC(=C)C,non-carcinogenic
+48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413910,CC(C)CON=O,carcinogenic
+48413912,CC(C)C=O,non-carcinogenic
+48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogenic
+48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogenic
+48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
+48413917,C1=CN=CC=C1C(=O)N,non-carcinogenic
+48413918,C1=CN=CC=C1C(=O)O,non-carcinogenic
+48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogenic
+48413920,CC1=CC(=O)CC(C1)(C)C,non-carcinogenic
+48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
+48413922,CC(=C)C=C,carcinogenic
+48413923,CC(C)O,non-carcinogenic
+48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogenic
+48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
+48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogenic
+48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogenic
+48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogenic
+48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413935,C1=C(OC=C(C1=O)O)CO,carcinogenic
+48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],non-carcinogenic
+48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
+48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
+48413940,CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C,carcinogenic
+48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
+48413942,CC1=CCC(CC1)C(=C)C,non-carcinogenic
+48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
+48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogenic
+48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,non-carcinogenic
+48413951,CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O,carcinogenic
+48413952,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogenic
+48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogenic
+48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
+48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
+48413956,C1=CC(=O)NNC1=O,non-carcinogenic
+48413957,C(=C[O-])C=O.[Na+],carcinogenic
+48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],non-carcinogenic
+48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
+48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
+48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
+48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
+48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogenic
+48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
+48413966,C1(=NC(=NC(=N1)N)N)N,non-carcinogenic
+48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
+48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
+48413971,C1=CC=C2C(=C1)NC(=S)S2,non-carcinogenic
+48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogenic
+48413975,[Cl-].[Cl-].[Hg+2],non-carcinogenic
+48413976,[Cl-].[Hg+],non-carcinogenic
+48413977,C[Hg]Cl,carcinogenic
+48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogenic
+48413980,CC(=C)C#N,non-carcinogenic
+48413984,COC1=NN(C(=O)S1)CSP(=S)(OC)OC,carcinogenic
+48413986,CSCCC(C(=O)O)N,non-carcinogenic
+48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogenic
+48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogenic
+48413989,COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N,carcinogenic
+48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
+48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogenic
+48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,non-carcinogenic
+48413997,CBr,non-carcinogenic
+48413998,CC(C)(C)OC,carcinogenic
+48413999,COC(=O)N,non-carcinogenic
+48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
+48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogenic
+48414006,CN(C=O)N,carcinogenic
+48414007,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O,non-carcinogenic
+48414010,CC(=C)C(=O)OC,non-carcinogenic
+48414011,COS(=O)(=O)C,carcinogenic
+48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
+48414020,CCCCCCC(=O)C=CCCCCCCCCC(=O)OC,non-carcinogenic
+48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414022,CN1CCCC1=O,carcinogenic
+48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogenic
+48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogenic
+48414025,CC(C1=CC=CC=C1)O,non-carcinogenic
+48414026,CC(C)CC=NN(C)C=O,carcinogenic
+48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogenic
+48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogenic
+48414034,C(Cl)Cl,carcinogenic
+48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
+48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48414038,CCC(=NO)C,carcinogenic
+48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
+48414042,CNN,carcinogenic
+48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogenic
+48414045,CC1=NC=CN1,carcinogenic
+48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogenic
+48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogenic
+48414051,CN(C1=NC=NC2=C1NC=N2)N=O,carcinogenic
+48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogenic
+48414054,C=CC(=O)NCO,carcinogenic
+48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogenic
+48414058,CC1=CC=C(C=C1)C=C,non-carcinogenic
+48414059,CC1=CC(=O)NC(=S)N1,non-carcinogenic
+48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
+48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
+48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
+48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
+48414069,O=[Mo](=O)=O,carcinogenic
+48414070,CC(=O)NN,carcinogenic
+48414071,C(C(=O)O)Cl,non-carcinogenic
+48414073,C[As](=O)(O)O,non-carcinogenic
+48414076,C(CC(=O)[O-])C(C(=O)O)N.[Na+],non-carcinogenic
+48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
+48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,non-carcinogenic
+48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
+48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogenic
+48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogenic
+48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
+48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
+48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogenic
+48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogenic
+48414091,C1=CC=C2C(=C1)C=CC=C2N,carcinogenic
+48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
+48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogenic
+48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
+48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogenic
+48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogenic
+48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
+48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogenic
+48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogenic
+48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogenic
+48414104,C1=CC(=CN=C1)C(=O)NN,carcinogenic
+48414106,[O-][Nb](=O)=O.[Na+],non-carcinogenic
+48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
+48414109,[N]=O,non-carcinogenic
+48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
+48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],non-carcinogenic
+48414112,N(=O)[O-].[Na+],non-carcinogenic
+48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],carcinogenic
+48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
+48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
+48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
+48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
+48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
+48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,carcinogenic
+48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
+48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
+48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
+48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
+48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogenic
+48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],non-carcinogenic
+48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414148,C[N+](=O)[O-],carcinogenic
+48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
+48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
+48414177,CN(C(=O)N)N=O,carcinogenic
+48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogenic
+48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
+48414197,CCCCN(CCCC)N=O,carcinogenic
+48414200,CN(C)N=O,carcinogenic
+48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,non-carcinogenic
+48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
+48414211,C1CCCN(CC1)N=O,carcinogenic
+48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogenic
+48414233,C1CCN(CC1)N=O,carcinogenic
+48414235,C1CCN(C1)N=O,carcinogenic
+48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414240,CC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414241,N#[N+][O-],non-carcinogenic
+48414242,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO,non-carcinogenic
+48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogenic
+48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogenic
+48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
+48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
+48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
+48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
+48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,non-carcinogenic
+48414256,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],non-carcinogenic
+48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogenic
+48414261,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
+48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogenic
+48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,non-carcinogenic
+48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
+48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
+48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogenic
+48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogenic
+48414275,[O-][O+]=O,carcinogenic
+48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
+48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogenic
+48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogenic
+48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
+48414287,CCCCC=NN(C)C=O,carcinogenic
+48414289,CCCCCNN.Cl,carcinogenic
+48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
+48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
+48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
+48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
+48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogenic
+48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
+48414301,C1=CC=C(C=C1)O,non-carcinogenic
+48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
+48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogenic
+48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
+48414306,C1=CC=C(C=C1)N=C=S,non-carcinogenic
+48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
+48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
+48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
+48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
+48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
+48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
+48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,non-carcinogenic
+48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
+48414315,C1=CC(=CC(=C1)N)N,non-carcinogenic
+48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
+48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
+48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
+48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
+48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogenic
+48414325,C1=CC=C(C=C1)NN,non-carcinogenic
+48414326,C1=CC=C(C=C1)NN.Cl,carcinogenic
+48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogenic
+48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogenic
+48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,non-carcinogenic
+48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogenic
+48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],non-carcinogenic
+48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
+48414334,CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O,carcinogenic
+48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogenic
+48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
+48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
+48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
+48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,carcinogenic
+48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
+48414350,CC1(COC1=O)C,non-carcinogenic
+48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
+48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
+48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
+48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
+48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
+48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
+48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogenic
+48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogenic
+48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogenic
+48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,carcinogenic
+48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
+48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
+48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogenic
+48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogenic
+48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogenic
+48414380,C1COC1=O,carcinogenic
+48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
+48414382,CCCCN(CC)C(=O)SCCC,non-carcinogenic
+48414383,CCCN(C=O)N,carcinogenic
+48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
+48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogenic
+48414388,CC=C,non-carcinogenic
+48414390,CC(COC(C)(C)C)O,carcinogenic
+48414391,CC1CO1,carcinogenic
+48414392,CCCNN.Cl,carcinogenic
+48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
+48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogenic
+48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
+48414400,C1=CC=NC=C1,carcinogenic
+48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
+48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,non-carcinogenic
+48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
+48414407,C1=CC(=CC=C1NO)N=O,non-carcinogenic
+48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
+48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
+48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogenic
+48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],non-carcinogenic
+48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],non-carcinogenic
+48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
+48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
+48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
+48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
+48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
+48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
+48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
+48414430,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,carcinogenic
+48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogenic
+48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
+48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
+48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
+48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],non-carcinogenic
+48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
+48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
+48414443,CC1=CCCC(=CC=C(C(CC(=CCC1)C)O)C(C)C)C,non-carcinogenic
+48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
+48414446,[Se],non-carcinogenic
+48414447,CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,carcinogenic
+48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48414449,O=[Se]=O,non-carcinogenic
+48414450,S=[Se],carcinogenic
+48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
+48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
+48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogenic
+48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
+48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogenic
+48414457,[Na+].[Cl-],non-carcinogenic
+48414458,[O-]Cl=O.[Na+],non-carcinogenic
+48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
+48414461,[O-]Cl.[Na+],non-carcinogenic
+48414463,CC=CC=CC(=O)O,non-carcinogenic
+48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
+48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
+48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogenic
+48414471,C=CC1=CC=CC=C1,carcinogenic
+48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
+48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
+48414474,C1CC(=O)OC1=O,non-carcinogenic
+48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogenic
+48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogenic
+48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogenic
+48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
+48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogenic
+48414480,[O-]S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogenic
+48414483,C1C=CCS1(=O)=O,non-carcinogenic
+48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogenic
+48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
+48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogenic
+48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
+48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogenic
+48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
+48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
+48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
+48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
+48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48414506,C(C(Cl)(Cl)Cl)Cl,carcinogenic
+48414507,C(C(Cl)Cl)(Cl)Cl,carcinogenic
+48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
+48414509,COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl,carcinogenic
+48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogenic
+48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
+48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,carcinogenic
+48414513,C(C(F)(F)F)F,non-carcinogenic
+48414514,C(=C(F)F)(F)F,carcinogenic
+48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
+48414517,C1CCOC1,carcinogenic
+48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
+48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogenic
+48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
+48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
+48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
+48414529,CC(=S)N,carcinogenic
+48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
+48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogenic
+48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
+48414535,C(=S)(N)NN,non-carcinogenic
+48414536,C1=CNC(=S)NC1=O,carcinogenic
+48414537,C(=S)(N)N,non-carcinogenic
+48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
+48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
+48414541,O=[Ti]=O,non-carcinogenic
+48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogenic
+48414546,CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,carcinogenic
+48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
+48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
+48414549,CC1=CC=CC=C1,non-carcinogenic
+48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
+48414552,CC1=CC(=CC=C1)N.Cl,carcinogenic
+48414553,CC1=CC=CC=C1N.Cl,carcinogenic
+48414554,CC1=CC=C(C=C1)N.Cl,carcinogenic
+48414555,CC1=CC=C(C=C1)NC(=O)N,carcinogenic
+48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogenic
+48414561,C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N,carcinogenic
+48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogenic
+48414563,C(Br)(Br)Br,non-carcinogenic
+48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
+48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
+48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogenic
+48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogenic
+48414570,C(C(Cl)Cl)Cl,carcinogenic
+48414571,CC(Cl)(Cl)Cl,non-carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
+48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
+48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
+48414580,C(C(CCl)Cl)Cl,carcinogenic
+48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
+48414582,C(CO)N(CCO)CCO,carcinogenic
+48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
+48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogenic
+48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
+48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
+48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
+48414593,COP(=O)(OC)OC,carcinogenic
+48414594,CNC(=S)N(C)C,non-carcinogenic
+48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogenic
+48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogenic
+48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
+48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
+48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
+48414602,C(C(COCCl)OCCl)OCCl,carcinogenic
+48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
+48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,carcinogenic
+48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
+48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
+48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+48414615,CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.CC(C(=O)O)O,non-carcinogenic
+48414616,C1=CNC(=O)NC1=O,carcinogenic
+48414618,C(=O)(N)N,non-carcinogenic
+48414619,CCOC(=O)N,carcinogenic
+48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414623,CC(=O)OC=C,carcinogenic
+48414625,C=COC(=O)N,carcinogenic
+48414626,C=CCl,carcinogenic
+48414627,C=CF,carcinogenic
+48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
+48414629,C=CC1CCC=CC1,carcinogenic
+48414630,C=C(Cl)Cl,carcinogenic
+48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],non-carcinogenic
+48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
+48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
+48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogenic
+48414640,CC1=CC(=CC=C1)C,non-carcinogenic
+48414641,CC1=CC(=C(C=C1)N)C.Cl,carcinogenic
+48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
+48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
+48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogenic
+48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogenic
+48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogenic
+48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,carcinogenic
+48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogenic
+48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414650,CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O,non-carcinogenic
+48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
+48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogenic
+48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],non-carcinogenic
+48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414659,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4],non-carcinogenic
index 5bf782e..1004509 100644 (file)
 SID,SMILES,Carcinogenicity-Rat
-48413129,CC=O,carcinogen
-48413131,CC=NO,non-carcinogen
-48413132,CC(=O)N,carcinogen
-48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogen
-48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogen
-48413135,CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogen
-48413136,CC#N,non-carcinogen
-48413137,CC(=NO)C,carcinogen
-48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,carcinogen
-48413143,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,carcinogen
-48413144,CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32,non-carcinogen
-48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogen
-48413146,CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2,non-carcinogen
-48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogen
-48413148,CC(=O)NC(CS)C(=O)O,non-carcinogen
-48413150,C=CC=O,non-carcinogen
-48413151,CCOC(C=C)OCC,non-carcinogen
-48413152,C=CC=NO,non-carcinogen
-48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogen
-48413154,C=CC(=O)N,carcinogen
-48413155,C=CC(=O)O,non-carcinogen
-48413156,C=CC#N,carcinogen
-48413157,CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C,non-carcinogen
-48413158,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,carcinogen
-48413159,C(CCC(=O)N)CC(=O)N,non-carcinogen
-48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogen
-48413161,COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
-48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
-48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
-48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogen
-48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogen
-48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogen
-48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogen
-48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogen
-48413171,C=CCO,non-carcinogen
-48413173,C=CCOCC1CO1,non-carcinogen
-48413174,C=CCN=C=S,carcinogen
-48413175,CC(C)CC(=O)OCC=C,carcinogen
-48413176,C=CCN(C(=O)N)N=O,carcinogen
-48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogen
-48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogen
-48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,non-carcinogen
-48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogen
-48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogen
-48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogen
-48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogen
-48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogen
-48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogen
-48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogen
-48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,carcinogen
-48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,carcinogen
-48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,carcinogen
-48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogen
-48413194,C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2],non-carcinogen
-48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogen
-48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogen
-48413197,C(CCC(=O)O)CCN,non-carcinogen
-48413199,C1=CC=C(C=C1)C2=CC=C(C=C2)N.Cl,carcinogen
-48413201,C1CCC(CC1)(CC(=O)O)CN,carcinogen
-48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogen
-48413203,C1=NNC(=N1)N,carcinogen
-48413204,C(CCCCCN)CCCCC(=O)O,carcinogen
-48413206,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+],non-carcinogen
-48413208,CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,non-carcinogen
-48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogen
-48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogen
-48413211,CCCCCN(C(=O)N)N=O,carcinogen
-48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogen
-48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogen
-48413217,C1=CC=C(C=C1)N,non-carcinogen
-48413218,C1=CC=C(C=C1)N.Cl,carcinogen
-48413219,COC1=CC=CC=C1N.Cl,carcinogen
-48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogen
-48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogen
-48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogen
-48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogen
-48413227,C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl,carcinogen
-48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogen
-48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogen
-48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413231,O[As](=O)(O)[O-].[Na+],non-carcinogen
-48413233,[O-][As]=O.[Na+],non-carcinogen
-48413234,C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+],non-carcinogen
-48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogen
-48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogen
-48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogen
-48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogen
-48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogen
-48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogen
-48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogen
-48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogen
-48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogen
-48413246,C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,non-carcinogen
-48413247,C(C(C(=O)O)N)OC(=C[N+]#N)[O-],carcinogen
-48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],non-carcinogen
-48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogen
-48413250,[N-]=[N+]=[N-].[Na+],non-carcinogen
-48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogen
-48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogen
-48413253,CN=[N+](C)[O-],carcinogen
-48413254,CCCN=[N+](CCC)[O-],carcinogen
-48413255,CC(C)N=[N+](C(C)C)[O-],carcinogen
-48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogen
-48413257,CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+],carcinogen
-48413258,C1C(=O)NC(=O)NC1=O,non-carcinogen
-48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogen
-48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogen
-48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogen
-48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogen
-48413263,C1=CC=C(C=C1)C=O,non-carcinogen
-48413264,C1=CC=CC=C1,carcinogen
-48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogen
-48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogen
-48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogen
-48413271,C1=CC=C2C(=C1)C=CO2,carcinogen
-48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogen
-48413273,C1=CC=C(C=C1)C(=O)O,non-carcinogen
-48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogen
-48413277,C1=CC2=NNN=C2C=C1,non-carcinogen
-48413280,CC(=O)OCC1=CC=CC=C1,non-carcinogen
-48413281,C1=CC=C(C=C1)CO,non-carcinogen
-48413282,C1=CC=C(C=C1)CCl,non-carcinogen
-48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,non-carcinogen
-48413284,C1=CC=C(C=C1)CN=C=S,non-carcinogen
-48413285,C1=CC=C(C=C1)CSC#N,non-carcinogen
-48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogen
-48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogen
-48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,non-carcinogen
-48413293,C(C(CO)(CBr)CBr)O,carcinogen
-48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogen
-48413296,CC(CCl)OC(C)CCl,non-carcinogen
-48413302,C(OCCl)Cl,carcinogen
-48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogen
-48413304,C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl,non-carcinogen
-48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogen
-48413306,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCO)CCO,non-carcinogen
-48413308,CC(CNCC(C)O)O,non-carcinogen
-48413310,O=[Bi].Cl,non-carcinogen
-48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogen
-48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogen
-48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogen
-48413314,C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogen
-48413315,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogen
-48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogen
-48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogen
-48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogen
-48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogen
-48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogen
-48413325,[O-]Br(=O)=O.[K+],carcinogen
-48413327,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,carcinogen
-48413328,C(Cl)(Cl)Br,carcinogen
-48413329,CCBr,carcinogen
-48413331,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2],carcinogen
-48413332,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,carcinogen
-48413333,C=CC=C,carcinogen
-48413334,CCCCOCCO,non-carcinogen
-48413335,CC(C)(C)O,carcinogen
-48413337,CCCCCl,non-carcinogen
-48413341,CCCCN(CCCCO)N=O,carcinogen
-48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogen
-48413343,CC1=CC(=C(C=C1)O)C(C)(C)C,non-carcinogen
-48413344,CCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogen
-48413345,CCCCN(C(=O)N)N=O,carcinogen
-48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogen
-48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogen
-48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogen
-48413353,CC(C)(C)C1=CC=C(C=C1)O,non-carcinogen
-48413354,CCCCNC(=O)N,non-carcinogen
-48413355,CC1CC(=O)O1,carcinogen
-48413356,C1CC(=O)OC1,non-carcinogen
-48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogen
-48413358,[Cl-].[Cl-].[Cd+2],carcinogen
-48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogen
-48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogen
-48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogen
-48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogen
-48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogen
-48413366,CC(=O)[O-].CC(=O)[O-].[Ca+2],non-carcinogen
-48413367,[Cl-].[Cl-].[Ca+2],non-carcinogen
-48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogen
-48413369,CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2],carcinogen
-48413370,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O,non-carcinogen
-48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogen
-48413372,C1CCC(=O)NCC1,non-carcinogen
-48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogen
-48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
-48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogen
-48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,carcinogen
-48413382,C(Cl)(Cl)(Cl)Cl,carcinogen
-48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogen
-48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogen
-48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogen
-48413390,C1=CC=C(C(=C1)O)O,carcinogen
-48413391,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,non-carcinogen
-48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogen
-48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogen
-48413395,C(C(Cl)(Cl)Cl)(O)O,non-carcinogen
-48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,non-carcinogen
-48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogen
-48413399,C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],non-carcinogen
-48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogen
-48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413407,ClCl,non-carcinogen
-48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogen
-48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogen
-48413411,CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C,carcinogen
-48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogen
-48413414,CC(=C)CCl,carcinogen
-48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,non-carcinogen
-48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,non-carcinogen
-48413417,C1=CC(=C(C=C1N)N)Cl,carcinogen
-48413418,C1=CC(=C(C=C1Cl)N)N,carcinogen
-48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogen
-48413420,CC(CCl)O,non-carcinogen
-48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogen
-48413422,CC1=C(C=C(C=C1)Cl)N,non-carcinogen
-48413423,CC1=C(C=CC(=C1)Cl)N.Cl,non-carcinogen
-48413424,C(C(F)(F)F)Cl,carcinogen
-48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogen
-48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogen
-48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogen
-48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogen
-48413430,C1=CC(=CC=C1N)Cl,non-carcinogen
-48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogen
-48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogen
-48413433,C1=CC=C(C=C1)Cl,carcinogen
-48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,non-carcinogen
-48413435,C(Cl)(Br)Br,non-carcinogen
-48413436,C(F)(F)Cl,non-carcinogen
-48413437,CCCl,non-carcinogen
-48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogen
-48413439,CC(CNC(=O)N(C(C)Cl)N=O)O,carcinogen
-48413440,C(F)Cl,carcinogen
-48413441,C(Cl)(Cl)Cl,carcinogen
-48413442,COCCl,carcinogen
-48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogen
-48413444,C1=CC(=CN=C1)CCl.Cl,carcinogen
-48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogen
-48413447,CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C,non-carcinogen
-48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogen
-48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogen
-48413451,C=CC(=C)Cl,carcinogen
-48413451,C=CC(=C)Cl,carcinogen
-48413455,C(C(F)(F)F)(F)Cl,non-carcinogen
-48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogen
-48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogen
-48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogen
-48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogen
-48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogen
-48413463,O=[Cr]O[Cr]=O,non-carcinogen
-48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogen
-48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogen
-48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogen
-48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogen
-48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogen
-48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogen
-48413470,CC(=CCCC(=CC=O)C)C,non-carcinogen
-48413471,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen
-48413472,CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C,carcinogen
-48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogen
-48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,non-carcinogen
-48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogen
-48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogen
-48413478,C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl,carcinogen
-48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogen
-48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogen
-48413481,CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,non-carcinogen
-48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogen
-48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogen
-48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogen
-48413488,CC1=C(C=CC(=C1)OC)N,carcinogen
-48413489,CC1=CC(=C(C=C1)OC)N,carcinogen
-48413490,CC=CC=O,carcinogen
-48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogen
-48413493,CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,carcinogen
-48413494,C(#N)N=C(N)N,non-carcinogen
-48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],non-carcinogen
-48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogen
-48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogen
-48413499,C1CCC(=O)CC1,non-carcinogen
-48413501,C1CCC(CC1)N.Cl,non-carcinogen
-48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogen
-48413503,C1CCC(=NO)C1,carcinogen
-48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogen
-48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogen
-48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogen
-48413508,C(C(C(=O)O)N)S.Cl,non-carcinogen
-48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogen
-48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogen
-48413511,CN(C)NC(=O)CCC(=O)O,carcinogen
-48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogen
-48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogen
-48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
-48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogen
-48413519,CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C,carcinogen
-48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogen
-48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogen
-48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogen
-48413525,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,non-carcinogen
-48413526,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,non-carcinogen
-48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogen
-48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogen
-48413537,C=CCN(CC=C)N=O,carcinogen
-48413538,C1=C(OC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)N)N,carcinogen
-48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogen
-48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,non-carcinogen
-48413544,CC1=C(C=C(C=C1)N)N,carcinogen
-48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogen
-48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogen
-48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogen
-48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogen
-48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogen
-48413550,C1=CC(=C(C=C1CCN)[N+]#N)[O-].Cl,carcinogen
-48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogen
-48413553,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N,carcinogen
-48413554,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl,non-carcinogen
-48413555,C(C(CBr)Br)Cl,carcinogen
-48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
-48413557,C(CBr)Br,carcinogen
-48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
-48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogen
-48413560,CCCCNC(=O)N(CCCC)N=O,carcinogen
-48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogen
-48413564,CC(F)(Cl)Cl,carcinogen
-48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,non-carcinogen
-48413570,C(C(=O)O)(Cl)Cl,carcinogen
-48413571,C(#CCl)Cl,carcinogen
-48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogen
-48413573,C1=CC(=CC=C1Cl)Cl,carcinogen
-48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48413576,C(C=CCCl)Cl,carcinogen
-48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogen
-48413579,C(F)(F)(Cl)Cl,non-carcinogen
-48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
-48413581,CC(Cl)Cl,non-carcinogen
-48413582,C(CCl)Cl,carcinogen
-48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogen
-48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogen
-48413592,CC(CCl)Cl,non-carcinogen
-48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogen
-48413594,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],carcinogen
-48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,non-carcinogen
-48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogen
-48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogen
-48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogen
-48413600,C1C(O1)C2CO2,non-carcinogen
-48413602,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],carcinogen
-48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogen
-48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogen
-48413605,CCN(CC)C(=O)C,carcinogen
-48413606,CCC(CC)C(=O)NC(=O)N,non-carcinogen
-48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogen
-48413608,C(COCCO)O,carcinogen
-48413609,CCN(CC)C=O,non-carcinogen
-48413610,CCOC(=O)C=CC(=O)OCC,non-carcinogen
-48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogen
-48413612,CCNC(=S)NCC,carcinogen
-48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogen
-48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogen
-48413617,C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N,non-carcinogen
-48413618,C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)[N+](=O)[O-],carcinogen
-48413619,C1C=CCON1N=O,carcinogen
-48413620,C1CC(=O)OC2=CC=CC=C21,carcinogen
-48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogen
-48413623,CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogen
-48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogen
-48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogen
-48413626,CC1(C(=O)NC(=O)O1)C,non-carcinogen
-48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogen
-48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogen
-48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogen
-48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogen
-48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogen
-48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogen
-48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogen
-48413634,COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC,non-carcinogen
-48413635,COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC,non-carcinogen
-48413636,COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC,non-carcinogen
-48413637,COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC,carcinogen
-48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogen
-48413639,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogen
-48413640,CN(C(=O)C1=CC=CC=C1C(=O)N(C)N=O)N=O,non-carcinogen
-48413641,CO[P+](=O)OC,carcinogen
-48413642,COP(=O)(C)OC,carcinogen
-48413643,COP(=O)(N1CCOCC1)OC,carcinogen
-48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogen
-48413645,CC1=NC=C(N1C)[N+](=O)[O-],carcinogen
-48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogen
-48413647,CC(=O)N(C)C,non-carcinogen
-48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogen
-48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogen
-48413655,CC1=C(C(=CC=C1)C)N,non-carcinogen
-48413656,CN(C)C1=CC=CC=C1,carcinogen
-48413657,C[As](=O)(C)O,carcinogen
-48413658,CC1(C(=O)NC(=O)NC1=O)C,non-carcinogen
-48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogen
-48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogen
-48413664,CN(C)C=O,non-carcinogen
-48413665,CN(C)N,non-carcinogen
-48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413668,CN(C)[N+](=O)[O-],carcinogen
-48413669,CNC(=S)NC,non-carcinogen
-48413670,CC(=CCl)C,carcinogen
-48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413675,CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O,carcinogen
-48413676,C1CN(CCN(C1)N=O)N=O,carcinogen
-48413677,C1N2CN(CN1CN(C2)N=O)N=O,non-carcinogen
-48413679,CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413684,C1COCCO1,carcinogen
-48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogen
-48413687,CCCCCN(CCCCC)N=O,carcinogen
-48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogen
-48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,non-carcinogen
-48413693,CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],non-carcinogen
-48413694,CCC(O)OC(CC)O,non-carcinogen
-48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],non-carcinogen
-48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogen
-48413697,C(=S)(N)NNC(=S)N,non-carcinogen
-48413698,C(=S)(C(=S)N)N,non-carcinogen
-48413699,CCCCCCCCCCCCC(=O)COC1=C(C(=O)OC1C(CO)O)O,non-carcinogen
-48413701,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,non-carcinogen
-48413702,C1=CC(=C(C=C1CCN)O)O.Cl,non-carcinogen
-48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogen
-48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogen
-48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogen
-48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogen
-48413710,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,non-carcinogen
-48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogen
-48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogen
-48413721,C1C(O1)CCl,carcinogen
-48413724,CCC1CO1,carcinogen
-48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogen
-48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogen
-48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogen
-48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,non-carcinogen
-48413731,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O,carcinogen
-48413732,CCC1=NC=CC(=C1)C(=S)N,non-carcinogen
-48413733,CCSCCC(C(=O)O)N,carcinogen
-48413734,CCSCCC(C(=O)O)N,carcinogen
-48413735,CCOC1=CC=C(C=C1)NC(=O)N,carcinogen
-48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogen
-48413738,CCOC(=O)C=C,carcinogen
-48413739,CCO,carcinogen
-48413740,CCN=[N+](CC)[O-],carcinogen
-48413741,CC[N+](=NC)[O-],carcinogen
-48413743,CCSCC(C(=O)O)N,non-carcinogen
-48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogen
-48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogen
-48413748,CCN(C(=O)N)N=O,carcinogen
-48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogen
-48413750,CCOC1=C(C(=O)OC1C(CO)O)O,non-carcinogen
-48413751,CCC1=CC=CC=C1,carcinogen
-48413755,C1CO1,carcinogen
-48413756,C1CNC(=S)N1,carcinogen
-48413759,C1CC2C(O2)CC1C3CO3,non-carcinogen
-48413760,CCCCC(CC)CO,non-carcinogen
-48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,non-carcinogen
-48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogen
-48413764,CCN(C(=O)NCCO)N=O,carcinogen
-48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogen
-48413766,CCN(C#N)N=O,carcinogen
-48413767,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,non-carcinogen
-48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogen
-48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogen
-48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogen
-48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogen
-48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogen
-48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogen
-48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogen
-48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogen
-48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogen
-48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,carcinogen
-48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogen
-48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogen
-48413785,[F-].[Na+],non-carcinogen
-48413787,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)F,carcinogen
-48413788,C(CF)N(C(=O)N)N=O,carcinogen
-48413789,C1=C(C(=O)NC(=O)N1)F,non-carcinogen
-48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogen
-48413791,CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,carcinogen
-48413792,C=O,carcinogen
-48413793,C1=COC(=C1)C2=CSC(=N2)NNC=O,non-carcinogen
-48413794,CC1=CSC(=N1)NNC=O,carcinogen
-48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogen
-48413796,C(=O)NNC(=S)N,non-carcinogen
-48413798,CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3],carcinogen
-48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogen
-48413800,C1=COC(=C1)C=NNC(=O)N,non-carcinogen
-48413801,C1=COC=C1,carcinogen
-48413802,C1=COC(=C1)C=O,carcinogen
-48413803,C1=COC(=C1)CO,carcinogen
-48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,non-carcinogen
-48413805,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO,non-carcinogen
-48413806,C1=C(C=C(C(=C1O)O)O)C(=O)O,non-carcinogen
-48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogen
-48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,carcinogen
-48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogen
-48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogen
-48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogen
-48413818,C(CC=O)CC=O,non-carcinogen
-48413819,C(C(CO)O)O,non-carcinogen
-48413819,C(C(CO)O)O,non-carcinogen
-48413821,C(C(CCl)O)O,non-carcinogen
-48413822,C1C(O1)C=O,non-carcinogen
-48413823,C1C(O1)CO,carcinogen
-48413824,C(C(=O)O)N,carcinogen
-48413826,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,non-carcinogen
-48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],carcinogen
-48413829,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],carcinogen
-48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogen
-48413835,C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O,carcinogen
-48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413837,C1CCCNCCC1,non-carcinogen
-48413838,CCCCCCCN,non-carcinogen
-48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogen
-48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogen
-48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogen
-48413848,CC=CC=CC=O,carcinogen
-48413850,C1N2CN3CN1CN(C2)C3,non-carcinogen
-48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogen
-48413852,CN(C)P(=O)(N(C)C)N(C)C,carcinogen
-48413854,CCCCCC(=O)N,non-carcinogen
-48413855,CCCCCC,non-carcinogen
-48413856,CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C,non-carcinogen
-48413857,CCCCCCN(C(=O)N)N=O,carcinogen
-48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogen
-48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogen
-48413861,NN,carcinogen
-48413862,NN.OS(=O)(=O)O,carcinogen
-48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogen
-48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogen
-48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogen
-48413866,C1=CC=C(C=C1)C2=CSC(=N2)NN,non-carcinogen
-48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogen
-48413870,Cl,non-carcinogen
-48413871,C(C(F)(F)F)(Cl)Cl,carcinogen
-48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogen
-48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogen
-48413875,C1=CC(=CC=C1O)O,carcinogen
-48413877,CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O,non-carcinogen
-48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogen
-48413879,C1=CC=C(C=C1)C2=CC(=C(C=C2)N)O,non-carcinogen
-48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogen
-48413883,C1CN(C(=O)N1CCO)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413884,CCNC(=O)N(CCO)N=O,carcinogen
-48413885,C(CO)N(C(=O)N)N=O,carcinogen
-48413886,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCCO,carcinogen
-48413888,C(CN(C(=O)N)N=O)CO,carcinogen
-48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogen
-48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogen
-48413891,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,non-carcinogen
-48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogen
-48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogen
-48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogen
-48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogen
-48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogen
-48413899,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,carcinogen
-48413900,CC(C1OCC(O1)CO)I,carcinogen
-48413901,C(C(=O)N)I,non-carcinogen
-48413902,C(I)(I)I,non-carcinogen
-48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogen
-48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogen
-48413906,C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O,non-carcinogen
-48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogen
-48413908,CC(=C)C,carcinogen
-48413910,CC(C)CON=O,carcinogen
-48413911,CC(C)CN(C(=N[N+](=O)[O-])N)N=O,non-carcinogen
-48413912,CC(C)C=O,non-carcinogen
-48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogen
-48413916,C1=CN=CC=C1C(=O)NN,carcinogen
-48413920,CC1=CC(=O)CC(C1)(C)C,carcinogen
-48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogen
-48413922,CC(=C)C=C,carcinogen
-48413923,CC(C)O,non-carcinogen
-48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogen
-48413929,CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C,non-carcinogen
-48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogen
-48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogen
-48413932,C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,non-carcinogen
-48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413934,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,non-carcinogen
-48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogen
-48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],carcinogen
-48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogen
-48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogen
-48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogen
-48413942,CC1=CCC(CC1)C(=C)C,carcinogen
-48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogen
-48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogen
-48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogen
-48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogen
-48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,non-carcinogen
-48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogen
-48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogen
-48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogen
-48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogen
-48413956,C1=CC(=O)NNC1=O,non-carcinogen
-48413957,C(=C[O-])C=O.[Na+],carcinogen
-48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],carcinogen
-48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogen
-48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
-48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogen
-48413962,C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O,non-carcinogen
-48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogen
-48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogen
-48413966,C1(=NC(=NC(=N1)N)N)N,carcinogen
-48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogen
-48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogen
-48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogen
-48413970,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O,non-carcinogen
-48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogen
-48413973,C(CS(=O)(=O)[O-])S.[Na+],non-carcinogen
-48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogen
-48413975,[Cl-].[Cl-].[Hg+2],carcinogen
-48413977,C[Hg]Cl,non-carcinogen
-48413979,CC1CN1P(=O)(N2CC2C)N3CC3C,carcinogen
-48413980,CC(=C)C#N,non-carcinogen
-48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogen
-48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogen
-48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogen
-48413985,CN1C=CNC1=S,carcinogen
-48413986,CSCCC(C(=O)O)N,non-carcinogen
-48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogen
-48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogen
-48413991,COC1=CC=CC(=C1O)O,carcinogen
-48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogen
-48413993,COC1=CC=C(C=C1)O,carcinogen
-48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogen
-48413996,CCN=[N+](C)[O-],carcinogen
-48413997,CBr,non-carcinogen
-48413998,CC(C)(C)OC,carcinogen
-48413999,COC(=O)N,carcinogen
-48414000,COC(=O)NN,non-carcinogen
-48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogen
-48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogen
-48414004,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,carcinogen
-48414005,CN(C1=CC=C(C=C1)N=O)N=O,carcinogen
-48414008,CCCCCC(C=CC=CCCCCCCCC(=O)OC)OO,non-carcinogen
-48414009,CCCCCC=CCC=CCCCCCCCC(=O)OC,non-carcinogen
-48414010,CC(=C)C(=O)OC,non-carcinogen
-48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogen
-48414014,CC1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogen
-48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogen
-48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogen
-48414018,CC1CCCCN1N=O,carcinogen
-48414019,CC1CCCCN1N=O,carcinogen
-48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414022,CN1CCCC1=O,non-carcinogen
-48414025,CC(C1=CC=CC=C1)O,carcinogen
-48414027,CC1=CC(=C(C=C1)O)O,carcinogen
-48414028,CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,carcinogen
-48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogen
-48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogen
-48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,non-carcinogen
-48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogen
-48414034,C(Cl)Cl,carcinogen
-48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogen
-48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogen
-48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
-48414038,CCC(=NO)C,carcinogen
-48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogen
-48414040,CN=C(N)N,non-carcinogen
-48414041,CN1C=NC2=C1C(=O)N=C(N2)N,non-carcinogen
-48414044,CC1=C(C=CC(=C1)O)O,non-carcinogen
-48414045,CC1=NC=CN1,carcinogen
-48414048,CN[N+](=O)[O-],carcinogen
-48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogen
-48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogen
-48414053,CN(C#N)N=O,carcinogen
-48414054,C=CC(=O)NCO,non-carcinogen
-48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,non-carcinogen
-48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogen
-48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogen
-48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogen
-48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogen
-48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogen
-48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogen
-48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogen
-48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48414066,C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogen
-48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogen
-48414069,O=[Mo](=O)=O,non-carcinogen
-48414071,C(C(=O)O)Cl,non-carcinogen
-48414072,CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O,carcinogen
-48414073,C[As](=O)(O)O,non-carcinogen
-48414074,CNC(=O)C1=C(N=CN1C)N(C)N=O,carcinogen
-48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogen
-48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogen
-48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogen
-48414079,C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(S4)[N+](=O)[O-],carcinogen
-48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogen
-48414081,CS(=O)(=O)OCCCCOS(=O)(=O)C,non-carcinogen
-48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogen
-48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogen
-48414084,C1=CC=C2C=CC=CC2=C1,carcinogen
-48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogen
-48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogen
-48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogen
-48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogen
-48414096,[Ni],non-carcinogen
-48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogen
-48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogen
-48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogen
-48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogen
-48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogen
-48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogen
-48414112,N(=O)[O-].[Na+],carcinogen
-48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],non-carcinogen
-48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
-48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogen
-48414116,C1=C(OC(=C1)[N+](=O)[O-])C(=NO)N,non-carcinogen
-48414117,CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,non-carcinogen
-48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogen
-48414119,C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2,carcinogen
-48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogen
-48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogen
-48414125,CC(=O)NC1=NC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C,carcinogen
-48414126,CCC=C(CC)[N+](=O)[O-],carcinogen
-48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogen
-48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,non-carcinogen
-48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogen
-48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,non-carcinogen
-48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogen
-48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogen
-48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogen
-48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogen
-48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,non-carcinogen
-48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],carcinogen
-48414138,CCCC[N+](=O)[O-],non-carcinogen
-48414139,CCC(C)[N+](=O)[O-],carcinogen
-48414140,CC[N+](=O)[O-],non-carcinogen
-48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogen
-48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogen
-48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414145,N(=O)[O],non-carcinogen
-48414146,CN(CCCl)CCCl,carcinogen
-48414147,C[N+](CCCl)(CCCl)[O-],carcinogen
-48414148,C[N+](=O)[O-],carcinogen
-48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogen
-48414150,CCC(CC)[N+](=O)[O-],carcinogen
-48414151,CCC[N+](=O)[O-],non-carcinogen
-48414152,CC(C)[N+](=O)[O-],non-carcinogen
-48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogen
-48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogen
-48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogen
-48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogen
-48414157,CC(C)OC1=CC=CC=C1OC(=O)N(C)N=O,carcinogen
-48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogen
-48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogen
-48414160,C1CN(C(=O)NC1=O)N=O,carcinogen
-48414161,CC(CN(CC(CO)O)N=O)O,carcinogen
-48414162,CC(=O)CN(CC(CO)O)N=O,carcinogen
-48414163,C(CO)N(CC(CO)O)N=O,carcinogen
-48414164,CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)N=O,carcinogen
-48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogen
-48414166,C1COC(CN1N=O)O,non-carcinogen
-48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogen
-48414168,CC(CN(CCO)N=O)O,carcinogen
-48414169,C1CN(CC1O)N=O,carcinogen
-48414170,CC(C)CN(C(=O)N)N=O,carcinogen
-48414171,CCCCCCCCCCCCN(C)N=O,carcinogen
-48414172,CN(C1=CC=C(C=C1)F)N=O,carcinogen
-48414173,CN(C1=CC=C(C=C1)[N+](=O)[O-])N=O,non-carcinogen
-48414174,CN(CCC1=CC=CC=C1)N=O,carcinogen
-48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogen
-48414176,CCCCCCCCCCN(C)N=O,carcinogen
-48414177,CN(C(=O)N)N=O,carcinogen
-48414178,C1COC(=O)N1N=O,carcinogen
-48414179,CC(=O)CN(CCO)N=O,carcinogen
-48414180,C1CN(CN(C1)N=O)N=O,carcinogen
-48414181,C1CN(CC=C1)N=O,carcinogen
-48414182,CCN(CC(F)(F)F)N=O,carcinogen
-48414183,CC1=CC(N(C2=CC=CC=C12)N=O)(C)C,carcinogen
-48414184,CC1CN(CC(N1C)C)N=O,carcinogen
-48414185,C=CCN(CC(CO)O)N=O,carcinogen
-48414186,CC(CN(CC=C)N=O)O,carcinogen
-48414187,CC(=O)CN(CC=C)N=O,carcinogen
-48414188,C=CCN(CCO)N=O,carcinogen
-48414189,CCCCCN(C(=O)OCC)N=O,carcinogen
-48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogen
-48414191,CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O,carcinogen
-48414192,CC(CN(CC(C)O)N=O)O,carcinogen
-48414193,CC(=O)CN(CC(=O)C)N=O,carcinogen
-48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogen
-48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogen
-48414197,CCCCN(CCCC)N=O,carcinogen
-48414198,C(CO)N(CCO)N=O,carcinogen
-48414199,CCN(CC)N=O,carcinogen
-48414200,CN(C)N=O,carcinogen
-48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogen
-48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogen
-48414203,CCCN(CCC)N=O,carcinogen
-48414204,C1N(CSCS1)N=O,non-carcinogen
-48414205,C1CCCCCCN(CCCCC1)N=O,carcinogen
-48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogen
-48414207,CCN(C)N=O,carcinogen
-48414208,CCN(C(=O)OCC)N=O,carcinogen
-48414209,COC(=O)C1=CCCN(C1)N=O,non-carcinogen
-48414210,C1CCCN(CCC1)N=O,carcinogen
-48414212,C1C(=O)NC(=O)N1N=O,carcinogen
-48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogen
-48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogen
-48414215,CN(CCCC(=O)O)N=O,carcinogen
-48414216,CN(CC(CO)O)N=O,carcinogen
-48414217,CN(CCO)N=O,carcinogen
-48414218,CN(CCCO)N=O,carcinogen
-48414219,CC(CN(C)N=O)O,carcinogen
-48414220,CC(=O)CN(C)N=O,carcinogen
-48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogen
-48414222,CN(C1=CC=CC=N1)N=O,carcinogen
-48414223,CN(C1=CN=CC=C1)N=O,non-carcinogen
-48414224,CN(C1=CC=NC=C1)N=O,non-carcinogen
-48414225,CN(C1=CC=CC=C1)N=O,carcinogen
-48414227,CCCCCCCCCCCN(C)N=O,carcinogen
-48414228,C1COCCN1N=O,carcinogen
-48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogen
-48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogen
-48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogen
-48414232,C1CN(CCN1)N=O,carcinogen
-48414233,C1CCN(CC1)N=O,carcinogen
-48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogen
-48414235,C1CCN(C1)N=O,carcinogen
-48414236,CC1N(C(SC(S1)C)C)N=O,carcinogen
-48414237,C1CSCCN1N=O,carcinogen
-48414238,CC1=CC=CC=C1N=O,carcinogen
-48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414240,CC1=CC=C(C=C1)[N+](=O)[O-],carcinogen
-48414245,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,non-carcinogen
-48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogen
-48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogen
-48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogen
-48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogen
-48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogen
-48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogen
-48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogen
-48414256,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],carcinogen
-48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414258,C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+],non-carcinogen
-48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogen
-48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,non-carcinogen
-48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogen
-48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,non-carcinogen
-48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogen
-48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,carcinogen
-48414266,CC(=O)CN(C(=O)NCCCl)N=O,non-carcinogen
-48414267,CC(=O)CN(C(=O)N)N=O,non-carcinogen
-48414268,C=CC(=O)C1=CC2=C(C=C1)OCO2,non-carcinogen
-48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogen
-48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogen
-48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogen
-48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogen
-48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogen
-48414275,[O-][O+]=O,non-carcinogen
-48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogen
-48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414278,C1C=C2C(=CC(=O)O2)C(O1)O,non-carcinogen
-48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogen
-48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogen
-48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,non-carcinogen
-48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],non-carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogen
-48414288,CCCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogen
-48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogen
-48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogen
-48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogen
-48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogen
-48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogen
-48414297,C1=CC=C(C=C1)CCN=C=S,non-carcinogen
-48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogen
-48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,non-carcinogen
-48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogen
-48414301,C1=CC=C(C=C1)O,non-carcinogen
-48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogen
-48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogen
-48414305,CN(C)N=NC1=CC=CC=C1,carcinogen
-48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogen
-48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogen
-48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogen
-48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogen
-48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogen
-48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogen
-48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogen
-48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogen
-48414316,C1=CC(=CC=C1N)N,non-carcinogen
-48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogen
-48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogen
-48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogen
-48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogen
-48414321,COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O,non-carcinogen
-48414323,C1C(O1)COC2=CC=CC=C2,carcinogen
-48414324,C1=CC=C(C=C1)CCCCCCN=C=S,non-carcinogen
-48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,carcinogen
-48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogen
-48414332,C1=CC=C(C=C1)CCCN=C=S,non-carcinogen
-48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogen
-48414336,P,non-carcinogen
-48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogen
-48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogen
-48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogen
-48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogen
-48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogen
-48414343,C1CNCCN1,non-carcinogen
-48414344,C1CCNCC1,non-carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,non-carcinogen
-48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogen
-48414349,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,non-carcinogen
-48414350,CC1(COC1=O)C,carcinogen
-48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogen
-48414353,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br,non-carcinogen
-48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogen
-48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogen
-48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogen
-48414358,C(=O)(O)[O-].[K+],carcinogen
-48414359,[Cl-].[K+],non-carcinogen
-48414360,[K+].[I-],carcinogen
-48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogen
-48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogen
-48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogen
-48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogen
-48414365,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O,carcinogen
-48414366,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,carcinogen
-48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogen
-48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,non-carcinogen
-48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,non-carcinogen
-48414372,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,carcinogen
-48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogen
-48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogen
-48414378,C1COS(=O)(=O)C1,carcinogen
-48414380,C1COC1=O,carcinogen
-48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogen
-48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogen
-48414386,CCCN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48414387,CCCN(C(=O)N)N=O,carcinogen
-48414388,CC=C,non-carcinogen
-48414389,CC(CO)O,non-carcinogen
-48414390,CC(COC(C)(C)C)O,non-carcinogen
-48414391,CC1CO1,carcinogen
-48414393,CCCC1=CC(=O)NC(=S)N1,carcinogen
-48414395,CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO,non-carcinogen
-48414396,C1=CC(=C(C=C1C(=O)O)O)O,non-carcinogen
-48414397,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogen
-48414398,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,carcinogen
-48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogen
-48414400,C1=CC=NC=C1,carcinogen
-48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogen
-48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogen
-48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogen
-48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogen
-48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogen
-48414407,C1=CC(=CC=C1NO)N=O,carcinogen
-48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogen
-48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogen
-48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogen
-48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogen
-48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],carcinogen
-48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogen
-48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414417,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogen
-48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogen
-48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogen
-48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogen
-48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogen
-48414423,C1=CC(=CC(=C1)O)O,non-carcinogen
-48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogen
-48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogen
-48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogen
-48414427,CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C,carcinogen
-48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogen
-48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogen
-48414430,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,non-carcinogen
-48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,non-carcinogen
-48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogen
-48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogen
-48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogen
-48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogen
-48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogen
-48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogen
-48414438,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2],non-carcinogen
-48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],carcinogen
-48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogen
-48414441,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,carcinogen
-48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogen
-48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogen
-48414450,S=[Se],carcinogen
-48414451,CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C,carcinogen
-48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogen
-48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogen
-48414455,C(=O)(O)[O-].[Na+],non-carcinogen
-48414457,[Na+].[Cl-],non-carcinogen
-48414458,[O-]Cl=O.[Na+],non-carcinogen
-48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogen
-48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogen
-48414461,[O-]Cl.[Na+],non-carcinogen
-48414462,[O-]P(=O)=O.[Na+],non-carcinogen
-48414463,CC=CC=CC(=O)O,non-carcinogen
-48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogen
-48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogen
-48414467,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,non-carcinogen
-48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogen
-48414471,C=CC1=CC=CC=C1,carcinogen
-48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogen
-48414473,C1C(O1)C2=CC=CC=C2,carcinogen
-48414474,C1CC(=O)OC1=O,non-carcinogen
-48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogen
-48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogen
-48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
-48414483,C1C=CCS1(=O)=O,non-carcinogen
-48414484,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C,carcinogen
-48414485,CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O,non-carcinogen
-48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogen
-48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogen
-48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogen
-48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogen
-48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogen
-48414494,C(CS(=O)(=O)O)N,non-carcinogen
-48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414500,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,carcinogen
-48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogen
-48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogen
-48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogen
-48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogen
-48414506,C(C(Cl)(Cl)Cl)Cl,non-carcinogen
-48414507,C(C(Cl)Cl)(Cl)Cl,non-carcinogen
-48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogen
-48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogen
-48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogen
-48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,non-carcinogen
-48414513,C(C(F)(F)F)F,carcinogen
-48414514,C(=C(F)F)(F)F,carcinogen
-48414515,C1CCON(C1)N=O,carcinogen
-48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogen
-48414517,C1CCOC1,carcinogen
-48414518,C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O,non-carcinogen
-48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogen
-48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogen
-48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
-48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogen
-48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogen
-48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogen
-48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogen
-48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogen
-48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogen
-48414529,CC(=S)N,carcinogen
-48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogen
-48414532,C(#N)[S-].[Na+],non-carcinogen
-48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogen
-48414534,C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O,carcinogen
-48414535,C(=S)(N)NN,non-carcinogen
-48414536,C1=CNC(=S)NC1=O,carcinogen
-48414537,C(=S)(N)N,carcinogen
-48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogen
-48414540,[Cl-].[Cl-].[Sn+2],non-carcinogen
-48414541,O=[Ti]=O,non-carcinogen
-48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogen
-48414544,CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,non-carcinogen
-48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogen
-48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogen
-48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogen
-48414549,CC1=CC=CC=C1,carcinogen
-48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogen
-48414551,CC1=CC=CC=C1S(=O)(=O)N,carcinogen
-48414552,CC1=CC(=CC=C1)N.Cl,non-carcinogen
-48414553,CC1=CC=CC=C1N.Cl,carcinogen
-48414554,CC1=CC=C(C=C1)N.Cl,non-carcinogen
-48414555,CC1=CC=C(C=C1)NC(=O)N,non-carcinogen
-48414556,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen
-48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,non-carcinogen
-48414559,C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4,carcinogen
-48414560,CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C,carcinogen
-48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,non-carcinogen
-48414563,C(Br)(Br)Br,carcinogen
-48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogen
-48414565,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,carcinogen
-48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogen
-48414568,C(=O)(C(Cl)(Cl)Cl)O,non-carcinogen
-48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,non-carcinogen
-48414570,C(C(Cl)Cl)Cl,non-carcinogen
-48414571,CC(Cl)(Cl)Cl,non-carcinogen
-48414572,C(=C(Cl)Cl)Cl,carcinogen
-48414572,C(=C(Cl)Cl)Cl,carcinogen
-48414574,C(F)(Cl)(Cl)Cl,non-carcinogen
-48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,non-carcinogen
-48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogen
-48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogen
-48414579,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-carcinogen
-48414580,C(C(CCl)Cl)Cl,carcinogen
-48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogen
-48414582,C(CO)N(CCO)CCO,non-carcinogen
-48414583,C(COCCOCCO)O,non-carcinogen
-48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogen
-48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-carcinogen
-48414586,CC1(C(=O)N(C(=O)O1)C)C,non-carcinogen
-48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogen
-48414588,CC1=CC(=C(C=C1C)N)C,carcinogen
-48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogen
-48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogen
-48414591,C[As](=O)(C)C,carcinogen
-48414592,CC1=CC(=C(C=C1)C)C,carcinogen
-48414593,COP(=O)(OC)OC,non-carcinogen
-48414594,CNC(=S)N(C)C,carcinogen
-48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogen
-48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogen
-48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogen
-48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogen
-48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogen
-48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogen
-48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,non-carcinogen
-48414606,CC(CN(CC(C)O)CC(C)O)O,non-carcinogen
-48414607,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC,non-carcinogen
-48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogen
-48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogen
-48414610,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
-48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
-48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
-48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
-48414616,C1=CNC(=O)NC1=O,carcinogen
-48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogen
-48414618,C(=O)(N)N,non-carcinogen
-48414619,CCOC(=O)N,carcinogen
-48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogen
-48414622,CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,non-carcinogen
-48414623,CC(=O)OC=C,carcinogen
-48414624,C=CBr,carcinogen
-48414626,C=CCl,carcinogen
-48414627,C=CF,carcinogen
-48414628,CC1=CC=CC(=C1)C=C,non-carcinogen
-48414630,C=C(Cl)Cl,non-carcinogen
-48414631,C=C(F)F,non-carcinogen
-48414632,C=CN1CCCC1=O,carcinogen
-48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],carcinogen
-48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogen
-48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
-48414638,CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl,non-carcinogen
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414641,CC1=CC(=C(C=C1)N)C.Cl,non-carcinogen
-48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogen
-48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogen
-48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogen
-48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogen
-48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogen
-48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,non-carcinogen
-48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogen
-48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogen
-48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,non-carcinogen
-48414654,CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2],non-carcinogen
-48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogen
-48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],carcinogen
+48413129,CC=O,carcinogenic
+48413131,CC=NO,non-carcinogenic
+48413132,CC(=O)N,carcinogenic
+48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
+48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
+48413135,CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
+48413136,CC#N,non-carcinogenic
+48413137,CC(=NO)C,carcinogenic
+48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,carcinogenic
+48413143,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,carcinogenic
+48413144,CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32,non-carcinogenic
+48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
+48413146,CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2,non-carcinogenic
+48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
+48413148,CC(=O)NC(CS)C(=O)O,non-carcinogenic
+48413150,C=CC=O,non-carcinogenic
+48413151,CCOC(C=C)OCC,non-carcinogenic
+48413152,C=CC=NO,non-carcinogenic
+48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogenic
+48413154,C=CC(=O)N,carcinogenic
+48413155,C=CC(=O)O,non-carcinogenic
+48413156,C=CC#N,carcinogenic
+48413157,CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C,non-carcinogenic
+48413158,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,carcinogenic
+48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
+48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
+48413161,COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogenic
+48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
+48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogenic
+48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogenic
+48413171,C=CCO,non-carcinogenic
+48413173,C=CCOCC1CO1,non-carcinogenic
+48413174,C=CCN=C=S,carcinogenic
+48413175,CC(C)CC(=O)OCC=C,carcinogenic
+48413176,C=CCN(C(=O)N)N=O,carcinogenic
+48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
+48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
+48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,non-carcinogenic
+48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
+48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
+48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogenic
+48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
+48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogenic
+48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogenic
+48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
+48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,carcinogenic
+48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,carcinogenic
+48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,carcinogenic
+48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogenic
+48413194,C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2],non-carcinogenic
+48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
+48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogenic
+48413197,C(CCC(=O)O)CCN,non-carcinogenic
+48413199,C1=CC=C(C=C1)C2=CC=C(C=C2)N.Cl,carcinogenic
+48413201,C1CCC(CC1)(CC(=O)O)CN,carcinogenic
+48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogenic
+48413203,C1=NNC(=N1)N,carcinogenic
+48413204,C(CCCCCN)CCCCC(=O)O,carcinogenic
+48413206,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+],non-carcinogenic
+48413208,CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,non-carcinogenic
+48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
+48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
+48413211,CCCCCN(C(=O)N)N=O,carcinogenic
+48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
+48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
+48413217,C1=CC=C(C=C1)N,non-carcinogenic
+48413218,C1=CC=C(C=C1)N.Cl,carcinogenic
+48413219,COC1=CC=CC=C1N.Cl,carcinogenic
+48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
+48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
+48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogenic
+48413227,C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl,carcinogenic
+48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
+48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413231,O[As](=O)(O)[O-].[Na+],non-carcinogenic
+48413233,[O-][As]=O.[Na+],non-carcinogenic
+48413234,C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+],non-carcinogenic
+48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
+48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogenic
+48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
+48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
+48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogenic
+48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogenic
+48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogenic
+48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
+48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
+48413246,C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,non-carcinogenic
+48413247,C(C(C(=O)O)N)OC(=C[N+]#N)[O-],carcinogenic
+48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],non-carcinogenic
+48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogenic
+48413250,[N-]=[N+]=[N-].[Na+],non-carcinogenic
+48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
+48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
+48413253,CN=[N+](C)[O-],carcinogenic
+48413254,CCCN=[N+](CCC)[O-],carcinogenic
+48413255,CC(C)N=[N+](C(C)C)[O-],carcinogenic
+48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
+48413257,CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+],carcinogenic
+48413258,C1C(=O)NC(=O)NC1=O,non-carcinogenic
+48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
+48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
+48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogenic
+48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
+48413263,C1=CC=C(C=C1)C=O,non-carcinogenic
+48413264,C1=CC=CC=C1,carcinogenic
+48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
+48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
+48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
+48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
+48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
+48413273,C1=CC=C(C=C1)C(=O)O,non-carcinogenic
+48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
+48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
+48413280,CC(=O)OCC1=CC=CC=C1,non-carcinogenic
+48413281,C1=CC=C(C=C1)CO,non-carcinogenic
+48413282,C1=CC=C(C=C1)CCl,non-carcinogenic
+48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,non-carcinogenic
+48413284,C1=CC=C(C=C1)CN=C=S,non-carcinogenic
+48413285,C1=CC=C(C=C1)CSC#N,non-carcinogenic
+48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
+48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
+48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,non-carcinogenic
+48413293,C(C(CO)(CBr)CBr)O,carcinogenic
+48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogenic
+48413296,CC(CCl)OC(C)CCl,non-carcinogenic
+48413302,C(OCCl)Cl,carcinogenic
+48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogenic
+48413304,C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl,non-carcinogenic
+48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogenic
+48413306,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCO)CCO,non-carcinogenic
+48413308,CC(CNCC(C)O)O,non-carcinogenic
+48413310,O=[Bi].Cl,non-carcinogenic
+48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
+48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogenic
+48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogenic
+48413314,C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogenic
+48413315,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogenic
+48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogenic
+48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogenic
+48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
+48413325,[O-]Br(=O)=O.[K+],carcinogenic
+48413327,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,carcinogenic
+48413328,C(Cl)(Cl)Br,carcinogenic
+48413329,CCBr,carcinogenic
+48413331,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2],carcinogenic
+48413332,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,carcinogenic
+48413333,C=CC=C,carcinogenic
+48413334,CCCCOCCO,non-carcinogenic
+48413335,CC(C)(C)O,carcinogenic
+48413337,CCCCCl,non-carcinogenic
+48413341,CCCCN(CCCCO)N=O,carcinogenic
+48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogenic
+48413343,CC1=CC(=C(C=C1)O)C(C)(C)C,non-carcinogenic
+48413344,CCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
+48413345,CCCCN(C(=O)N)N=O,carcinogenic
+48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
+48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
+48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
+48413353,CC(C)(C)C1=CC=C(C=C1)O,non-carcinogenic
+48413354,CCCCNC(=O)N,non-carcinogenic
+48413355,CC1CC(=O)O1,carcinogenic
+48413356,C1CC(=O)OC1,non-carcinogenic
+48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
+48413358,[Cl-].[Cl-].[Cd+2],carcinogenic
+48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogenic
+48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogenic
+48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogenic
+48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
+48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
+48413366,CC(=O)[O-].CC(=O)[O-].[Ca+2],non-carcinogenic
+48413367,[Cl-].[Cl-].[Ca+2],non-carcinogenic
+48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogenic
+48413369,CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2],carcinogenic
+48413370,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O,non-carcinogenic
+48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogenic
+48413372,C1CCC(=O)NCC1,non-carcinogenic
+48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
+48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogenic
+48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,carcinogenic
+48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
+48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogenic
+48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
+48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogenic
+48413390,C1=CC=C(C(=C1)O)O,carcinogenic
+48413391,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,non-carcinogenic
+48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
+48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogenic
+48413395,C(C(Cl)(Cl)Cl)(O)O,non-carcinogenic
+48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,non-carcinogenic
+48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
+48413399,C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],non-carcinogenic
+48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
+48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413407,ClCl,non-carcinogenic
+48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
+48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogenic
+48413411,CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C,carcinogenic
+48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
+48413414,CC(=C)CCl,carcinogenic
+48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,non-carcinogenic
+48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,non-carcinogenic
+48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
+48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
+48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
+48413420,CC(CCl)O,non-carcinogenic
+48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
+48413422,CC1=C(C=C(C=C1)Cl)N,non-carcinogenic
+48413423,CC1=C(C=CC(=C1)Cl)N.Cl,non-carcinogenic
+48413424,C(C(F)(F)F)Cl,carcinogenic
+48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
+48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
+48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
+48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
+48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
+48413433,C1=CC=C(C=C1)Cl,carcinogenic
+48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,non-carcinogenic
+48413435,C(Cl)(Br)Br,non-carcinogenic
+48413436,C(F)(F)Cl,non-carcinogenic
+48413437,CCCl,non-carcinogenic
+48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
+48413439,CC(CNC(=O)N(C(C)Cl)N=O)O,carcinogenic
+48413440,C(F)Cl,carcinogenic
+48413441,C(Cl)(Cl)Cl,carcinogenic
+48413442,COCCl,carcinogenic
+48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
+48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
+48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogenic
+48413447,CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C,non-carcinogenic
+48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogenic
+48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413455,C(C(F)(F)F)(F)Cl,non-carcinogenic
+48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogenic
+48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
+48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
+48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
+48413463,O=[Cr]O[Cr]=O,non-carcinogenic
+48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
+48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
+48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
+48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
+48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
+48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
+48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
+48413471,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
+48413472,CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C,carcinogenic
+48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogenic
+48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,non-carcinogenic
+48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogenic
+48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
+48413478,C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl,carcinogenic
+48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
+48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
+48413481,CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,non-carcinogenic
+48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
+48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
+48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
+48413488,CC1=C(C=CC(=C1)OC)N,carcinogenic
+48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
+48413490,CC=CC=O,carcinogenic
+48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
+48413493,CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,carcinogenic
+48413494,C(#N)N=C(N)N,non-carcinogenic
+48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogenic
+48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogenic
+48413499,C1CCC(=O)CC1,non-carcinogenic
+48413501,C1CCC(CC1)N.Cl,non-carcinogenic
+48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
+48413503,C1CCC(=NO)C1,carcinogenic
+48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogenic
+48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
+48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogenic
+48413508,C(C(C(=O)O)N)S.Cl,non-carcinogenic
+48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogenic
+48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
+48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
+48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogenic
+48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
+48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413519,CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C,carcinogenic
+48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogenic
+48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogenic
+48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
+48413525,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,non-carcinogenic
+48413526,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,non-carcinogenic
+48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogenic
+48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
+48413537,C=CCN(CC=C)N=O,carcinogenic
+48413538,C1=C(OC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)N)N,carcinogenic
+48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
+48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,non-carcinogenic
+48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
+48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
+48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
+48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
+48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
+48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
+48413550,C1=CC(=C(C=C1CCN)[N+]#N)[O-].Cl,carcinogenic
+48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
+48413553,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N,carcinogenic
+48413554,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl,non-carcinogenic
+48413555,C(C(CBr)Br)Cl,carcinogenic
+48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413557,C(CBr)Br,carcinogenic
+48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogenic
+48413560,CCCCNC(=O)N(CCCC)N=O,carcinogenic
+48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
+48413564,CC(F)(Cl)Cl,carcinogenic
+48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,non-carcinogenic
+48413570,C(C(=O)O)(Cl)Cl,carcinogenic
+48413571,C(#CCl)Cl,carcinogenic
+48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
+48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
+48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48413576,C(C=CCCl)Cl,carcinogenic
+48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
+48413579,C(F)(F)(Cl)Cl,non-carcinogenic
+48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413581,CC(Cl)Cl,non-carcinogenic
+48413582,C(CCl)Cl,carcinogenic
+48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
+48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
+48413592,CC(CCl)Cl,non-carcinogenic
+48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
+48413594,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],carcinogenic
+48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,non-carcinogenic
+48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
+48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
+48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
+48413600,C1C(O1)C2CO2,non-carcinogenic
+48413602,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],carcinogenic
+48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
+48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48413605,CCN(CC)C(=O)C,carcinogenic
+48413606,CCC(CC)C(=O)NC(=O)N,non-carcinogenic
+48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
+48413608,C(COCCO)O,carcinogenic
+48413609,CCN(CC)C=O,non-carcinogenic
+48413610,CCOC(=O)C=CC(=O)OCC,non-carcinogenic
+48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
+48413612,CCNC(=S)NCC,carcinogenic
+48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogenic
+48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
+48413617,C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N,non-carcinogenic
+48413618,C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)[N+](=O)[O-],carcinogenic
+48413619,C1C=CCON1N=O,carcinogenic
+48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
+48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
+48413623,CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogenic
+48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
+48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogenic
+48413626,CC1(C(=O)NC(=O)O1)C,non-carcinogenic
+48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
+48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
+48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogenic
+48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
+48413634,COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC,non-carcinogenic
+48413635,COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC,non-carcinogenic
+48413636,COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC,non-carcinogenic
+48413637,COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC,carcinogenic
+48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogenic
+48413639,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
+48413640,CN(C(=O)C1=CC=CC=C1C(=O)N(C)N=O)N=O,non-carcinogenic
+48413641,CO[P+](=O)OC,carcinogenic
+48413642,COP(=O)(C)OC,carcinogenic
+48413643,COP(=O)(N1CCOCC1)OC,carcinogenic
+48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
+48413645,CC1=NC=C(N1C)[N+](=O)[O-],carcinogenic
+48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
+48413647,CC(=O)N(C)C,non-carcinogenic
+48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogenic
+48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogenic
+48413655,CC1=C(C(=CC=C1)C)N,non-carcinogenic
+48413656,CN(C)C1=CC=CC=C1,carcinogenic
+48413657,C[As](=O)(C)O,carcinogenic
+48413658,CC1(C(=O)NC(=O)NC1=O)C,non-carcinogenic
+48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
+48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413664,CN(C)C=O,non-carcinogenic
+48413665,CN(C)N,non-carcinogenic
+48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413668,CN(C)[N+](=O)[O-],carcinogenic
+48413669,CNC(=S)NC,non-carcinogenic
+48413670,CC(=CCl)C,carcinogenic
+48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413675,CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O,carcinogenic
+48413676,C1CN(CCN(C1)N=O)N=O,carcinogenic
+48413677,C1N2CN(CN1CN(C2)N=O)N=O,non-carcinogenic
+48413679,CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413684,C1COCCO1,carcinogenic
+48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
+48413687,CCCCCN(CCCCC)N=O,carcinogenic
+48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
+48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,non-carcinogenic
+48413693,CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],non-carcinogenic
+48413694,CCC(O)OC(CC)O,non-carcinogenic
+48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogenic
+48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
+48413698,C(=S)(C(=S)N)N,non-carcinogenic
+48413699,CCCCCCCCCCCCC(=O)COC1=C(C(=O)OC1C(CO)O)O,non-carcinogenic
+48413701,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,non-carcinogenic
+48413702,C1=CC(=C(C=C1CCN)O)O.Cl,non-carcinogenic
+48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogenic
+48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
+48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
+48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogenic
+48413710,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,non-carcinogenic
+48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
+48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
+48413721,C1C(O1)CCl,carcinogenic
+48413724,CCC1CO1,carcinogenic
+48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
+48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogenic
+48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
+48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,non-carcinogenic
+48413731,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O,carcinogenic
+48413732,CCC1=NC=CC(=C1)C(=S)N,non-carcinogenic
+48413733,CCSCCC(C(=O)O)N,carcinogenic
+48413734,CCSCCC(C(=O)O)N,carcinogenic
+48413735,CCOC1=CC=C(C=C1)NC(=O)N,carcinogenic
+48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogenic
+48413738,CCOC(=O)C=C,carcinogenic
+48413739,CCO,carcinogenic
+48413740,CCN=[N+](CC)[O-],carcinogenic
+48413741,CC[N+](=NC)[O-],carcinogenic
+48413743,CCSCC(C(=O)O)N,non-carcinogenic
+48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
+48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogenic
+48413748,CCN(C(=O)N)N=O,carcinogenic
+48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
+48413750,CCOC1=C(C(=O)OC1C(CO)O)O,non-carcinogenic
+48413751,CCC1=CC=CC=C1,carcinogenic
+48413755,C1CO1,carcinogenic
+48413756,C1CNC(=S)N1,carcinogenic
+48413759,C1CC2C(O2)CC1C3CO3,non-carcinogenic
+48413760,CCCCC(CC)CO,non-carcinogenic
+48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,non-carcinogenic
+48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
+48413764,CCN(C(=O)NCCO)N=O,carcinogenic
+48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogenic
+48413766,CCN(C#N)N=O,carcinogenic
+48413767,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,non-carcinogenic
+48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
+48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
+48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogenic
+48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
+48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
+48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogenic
+48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
+48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,carcinogenic
+48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
+48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogenic
+48413785,[F-].[Na+],non-carcinogenic
+48413787,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)F,carcinogenic
+48413788,C(CF)N(C(=O)N)N=O,carcinogenic
+48413789,C1=C(C(=O)NC(=O)N1)F,non-carcinogenic
+48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
+48413791,CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,carcinogenic
+48413792,C=O,carcinogenic
+48413793,C1=COC(=C1)C2=CSC(=N2)NNC=O,non-carcinogenic
+48413794,CC1=CSC(=N1)NNC=O,carcinogenic
+48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
+48413796,C(=O)NNC(=S)N,non-carcinogenic
+48413798,CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3],carcinogenic
+48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogenic
+48413800,C1=COC(=C1)C=NNC(=O)N,non-carcinogenic
+48413801,C1=COC=C1,carcinogenic
+48413802,C1=COC(=C1)C=O,carcinogenic
+48413803,C1=COC(=C1)CO,carcinogenic
+48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,non-carcinogenic
+48413805,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO,non-carcinogenic
+48413806,C1=C(C=C(C(=C1O)O)O)C(=O)O,non-carcinogenic
+48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogenic
+48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,carcinogenic
+48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
+48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
+48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
+48413818,C(CC=O)CC=O,non-carcinogenic
+48413819,C(C(CO)O)O,non-carcinogenic
+48413819,C(C(CO)O)O,non-carcinogenic
+48413821,C(C(CCl)O)O,non-carcinogenic
+48413822,C1C(O1)C=O,non-carcinogenic
+48413823,C1C(O1)CO,carcinogenic
+48413824,C(C(=O)O)N,carcinogenic
+48413826,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,non-carcinogenic
+48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],carcinogenic
+48413829,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],carcinogenic
+48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
+48413835,C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O,carcinogenic
+48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413837,C1CCCNCCC1,non-carcinogenic
+48413838,CCCCCCCN,non-carcinogenic
+48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
+48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
+48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
+48413848,CC=CC=CC=O,carcinogenic
+48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
+48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogenic
+48413852,CN(C)P(=O)(N(C)C)N(C)C,carcinogenic
+48413854,CCCCCC(=O)N,non-carcinogenic
+48413855,CCCCCC,non-carcinogenic
+48413856,CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C,non-carcinogenic
+48413857,CCCCCCN(C(=O)N)N=O,carcinogenic
+48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
+48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogenic
+48413861,NN,carcinogenic
+48413862,NN.OS(=O)(=O)O,carcinogenic
+48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
+48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
+48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
+48413866,C1=CC=C(C=C1)C2=CSC(=N2)NN,non-carcinogenic
+48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
+48413870,Cl,non-carcinogenic
+48413871,C(C(F)(F)F)(Cl)Cl,carcinogenic
+48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
+48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogenic
+48413875,C1=CC(=CC=C1O)O,carcinogenic
+48413877,CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O,non-carcinogenic
+48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
+48413879,C1=CC=C(C=C1)C2=CC(=C(C=C2)N)O,non-carcinogenic
+48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogenic
+48413883,C1CN(C(=O)N1CCO)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413884,CCNC(=O)N(CCO)N=O,carcinogenic
+48413885,C(CO)N(C(=O)N)N=O,carcinogenic
+48413886,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCCO,carcinogenic
+48413888,C(CN(C(=O)N)N=O)CO,carcinogenic
+48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
+48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
+48413891,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,non-carcinogenic
+48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
+48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
+48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
+48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogenic
+48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogenic
+48413899,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,carcinogenic
+48413900,CC(C1OCC(O1)CO)I,carcinogenic
+48413901,C(C(=O)N)I,non-carcinogenic
+48413902,C(I)(I)I,non-carcinogenic
+48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
+48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogenic
+48413906,C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogenic
+48413908,CC(=C)C,carcinogenic
+48413910,CC(C)CON=O,carcinogenic
+48413911,CC(C)CN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
+48413912,CC(C)C=O,non-carcinogenic
+48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogenic
+48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
+48413920,CC1=CC(=O)CC(C1)(C)C,carcinogenic
+48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
+48413922,CC(=C)C=C,carcinogenic
+48413923,CC(C)O,non-carcinogenic
+48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
+48413929,CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C,non-carcinogenic
+48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogenic
+48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogenic
+48413932,C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,non-carcinogenic
+48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413934,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,non-carcinogenic
+48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogenic
+48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],carcinogenic
+48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
+48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
+48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
+48413942,CC1=CCC(CC1)C(=C)C,carcinogenic
+48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
+48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogenic
+48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogenic
+48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
+48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,non-carcinogenic
+48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogenic
+48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogenic
+48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
+48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
+48413956,C1=CC(=O)NNC1=O,non-carcinogenic
+48413957,C(=C[O-])C=O.[Na+],carcinogenic
+48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],carcinogenic
+48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
+48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
+48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
+48413962,C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O,non-carcinogenic
+48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
+48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
+48413966,C1(=NC(=NC(=N1)N)N)N,carcinogenic
+48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogenic
+48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
+48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
+48413970,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O,non-carcinogenic
+48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogenic
+48413973,C(CS(=O)(=O)[O-])S.[Na+],non-carcinogenic
+48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogenic
+48413975,[Cl-].[Cl-].[Hg+2],carcinogenic
+48413977,C[Hg]Cl,non-carcinogenic
+48413979,CC1CN1P(=O)(N2CC2C)N3CC3C,carcinogenic
+48413980,CC(=C)C#N,non-carcinogenic
+48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogenic
+48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogenic
+48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogenic
+48413985,CN1C=CNC1=S,carcinogenic
+48413986,CSCCC(C(=O)O)N,non-carcinogenic
+48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogenic
+48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogenic
+48413991,COC1=CC=CC(=C1O)O,carcinogenic
+48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
+48413993,COC1=CC=C(C=C1)O,carcinogenic
+48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogenic
+48413996,CCN=[N+](C)[O-],carcinogenic
+48413997,CBr,non-carcinogenic
+48413998,CC(C)(C)OC,carcinogenic
+48413999,COC(=O)N,carcinogenic
+48414000,COC(=O)NN,non-carcinogenic
+48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
+48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48414004,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,carcinogenic
+48414005,CN(C1=CC=C(C=C1)N=O)N=O,carcinogenic
+48414008,CCCCCC(C=CC=CCCCCCCCC(=O)OC)OO,non-carcinogenic
+48414009,CCCCCC=CCC=CCCCCCCCC(=O)OC,non-carcinogenic
+48414010,CC(=C)C(=O)OC,non-carcinogenic
+48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
+48414014,CC1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogenic
+48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogenic
+48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogenic
+48414018,CC1CCCCN1N=O,carcinogenic
+48414019,CC1CCCCN1N=O,carcinogenic
+48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414022,CN1CCCC1=O,non-carcinogenic
+48414025,CC(C1=CC=CC=C1)O,carcinogenic
+48414027,CC1=CC(=C(C=C1)O)O,carcinogenic
+48414028,CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,carcinogenic
+48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogenic
+48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogenic
+48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,non-carcinogenic
+48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogenic
+48414034,C(Cl)Cl,carcinogenic
+48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
+48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogenic
+48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48414038,CCC(=NO)C,carcinogenic
+48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
+48414040,CN=C(N)N,non-carcinogenic
+48414041,CN1C=NC2=C1C(=O)N=C(N2)N,non-carcinogenic
+48414044,CC1=C(C=CC(=C1)O)O,non-carcinogenic
+48414045,CC1=NC=CN1,carcinogenic
+48414048,CN[N+](=O)[O-],carcinogenic
+48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogenic
+48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogenic
+48414053,CN(C#N)N=O,carcinogenic
+48414054,C=CC(=O)NCO,non-carcinogenic
+48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,non-carcinogenic
+48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogenic
+48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogenic
+48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogenic
+48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
+48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
+48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
+48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414066,C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
+48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogenic
+48414069,O=[Mo](=O)=O,non-carcinogenic
+48414071,C(C(=O)O)Cl,non-carcinogenic
+48414072,CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O,carcinogenic
+48414073,C[As](=O)(O)O,non-carcinogenic
+48414074,CNC(=O)C1=C(N=CN1C)N(C)N=O,carcinogenic
+48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogenic
+48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
+48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogenic
+48414079,C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(S4)[N+](=O)[O-],carcinogenic
+48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogenic
+48414081,CS(=O)(=O)OCCCCOS(=O)(=O)C,non-carcinogenic
+48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogenic
+48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogenic
+48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
+48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
+48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
+48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
+48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
+48414096,[Ni],non-carcinogenic
+48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
+48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogenic
+48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
+48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogenic
+48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
+48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogenic
+48414112,N(=O)[O-].[Na+],carcinogenic
+48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],non-carcinogenic
+48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
+48414116,C1=C(OC(=C1)[N+](=O)[O-])C(=NO)N,non-carcinogenic
+48414117,CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,non-carcinogenic
+48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
+48414119,C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2,carcinogenic
+48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogenic
+48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
+48414125,CC(=O)NC1=NC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C,carcinogenic
+48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
+48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
+48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,non-carcinogenic
+48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
+48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,non-carcinogenic
+48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
+48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
+48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
+48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,non-carcinogenic
+48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],carcinogenic
+48414138,CCCC[N+](=O)[O-],non-carcinogenic
+48414139,CCC(C)[N+](=O)[O-],carcinogenic
+48414140,CC[N+](=O)[O-],non-carcinogenic
+48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogenic
+48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414145,N(=O)[O],non-carcinogenic
+48414146,CN(CCCl)CCCl,carcinogenic
+48414147,C[N+](CCCl)(CCCl)[O-],carcinogenic
+48414148,C[N+](=O)[O-],carcinogenic
+48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
+48414150,CCC(CC)[N+](=O)[O-],carcinogenic
+48414151,CCC[N+](=O)[O-],non-carcinogenic
+48414152,CC(C)[N+](=O)[O-],non-carcinogenic
+48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
+48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogenic
+48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogenic
+48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogenic
+48414157,CC(C)OC1=CC=CC=C1OC(=O)N(C)N=O,carcinogenic
+48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogenic
+48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogenic
+48414160,C1CN(C(=O)NC1=O)N=O,carcinogenic
+48414161,CC(CN(CC(CO)O)N=O)O,carcinogenic
+48414162,CC(=O)CN(CC(CO)O)N=O,carcinogenic
+48414163,C(CO)N(CC(CO)O)N=O,carcinogenic
+48414164,CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)N=O,carcinogenic
+48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogenic
+48414166,C1COC(CN1N=O)O,non-carcinogenic
+48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogenic
+48414168,CC(CN(CCO)N=O)O,carcinogenic
+48414169,C1CN(CC1O)N=O,carcinogenic
+48414170,CC(C)CN(C(=O)N)N=O,carcinogenic
+48414171,CCCCCCCCCCCCN(C)N=O,carcinogenic
+48414172,CN(C1=CC=C(C=C1)F)N=O,carcinogenic
+48414173,CN(C1=CC=C(C=C1)[N+](=O)[O-])N=O,non-carcinogenic
+48414174,CN(CCC1=CC=CC=C1)N=O,carcinogenic
+48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogenic
+48414176,CCCCCCCCCCN(C)N=O,carcinogenic
+48414177,CN(C(=O)N)N=O,carcinogenic
+48414178,C1COC(=O)N1N=O,carcinogenic
+48414179,CC(=O)CN(CCO)N=O,carcinogenic
+48414180,C1CN(CN(C1)N=O)N=O,carcinogenic
+48414181,C1CN(CC=C1)N=O,carcinogenic
+48414182,CCN(CC(F)(F)F)N=O,carcinogenic
+48414183,CC1=CC(N(C2=CC=CC=C12)N=O)(C)C,carcinogenic
+48414184,CC1CN(CC(N1C)C)N=O,carcinogenic
+48414185,C=CCN(CC(CO)O)N=O,carcinogenic
+48414186,CC(CN(CC=C)N=O)O,carcinogenic
+48414187,CC(=O)CN(CC=C)N=O,carcinogenic
+48414188,C=CCN(CCO)N=O,carcinogenic
+48414189,CCCCCN(C(=O)OCC)N=O,carcinogenic
+48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogenic
+48414191,CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O,carcinogenic
+48414192,CC(CN(CC(C)O)N=O)O,carcinogenic
+48414193,CC(=O)CN(CC(=O)C)N=O,carcinogenic
+48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogenic
+48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
+48414197,CCCCN(CCCC)N=O,carcinogenic
+48414198,C(CO)N(CCO)N=O,carcinogenic
+48414199,CCN(CC)N=O,carcinogenic
+48414200,CN(C)N=O,carcinogenic
+48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogenic
+48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
+48414203,CCCN(CCC)N=O,carcinogenic
+48414204,C1N(CSCS1)N=O,non-carcinogenic
+48414205,C1CCCCCCN(CCCCC1)N=O,carcinogenic
+48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogenic
+48414207,CCN(C)N=O,carcinogenic
+48414208,CCN(C(=O)OCC)N=O,carcinogenic
+48414209,COC(=O)C1=CCCN(C1)N=O,non-carcinogenic
+48414210,C1CCCN(CCC1)N=O,carcinogenic
+48414212,C1C(=O)NC(=O)N1N=O,carcinogenic
+48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogenic
+48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogenic
+48414215,CN(CCCC(=O)O)N=O,carcinogenic
+48414216,CN(CC(CO)O)N=O,carcinogenic
+48414217,CN(CCO)N=O,carcinogenic
+48414218,CN(CCCO)N=O,carcinogenic
+48414219,CC(CN(C)N=O)O,carcinogenic
+48414220,CC(=O)CN(C)N=O,carcinogenic
+48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogenic
+48414222,CN(C1=CC=CC=N1)N=O,carcinogenic
+48414223,CN(C1=CN=CC=C1)N=O,non-carcinogenic
+48414224,CN(C1=CC=NC=C1)N=O,non-carcinogenic
+48414225,CN(C1=CC=CC=C1)N=O,carcinogenic
+48414227,CCCCCCCCCCCN(C)N=O,carcinogenic
+48414228,C1COCCN1N=O,carcinogenic
+48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogenic
+48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogenic
+48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogenic
+48414232,C1CN(CCN1)N=O,carcinogenic
+48414233,C1CCN(CC1)N=O,carcinogenic
+48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogenic
+48414235,C1CCN(C1)N=O,carcinogenic
+48414236,CC1N(C(SC(S1)C)C)N=O,carcinogenic
+48414237,C1CSCCN1N=O,carcinogenic
+48414238,CC1=CC=CC=C1N=O,carcinogenic
+48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414240,CC1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414245,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,non-carcinogenic
+48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
+48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
+48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
+48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
+48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogenic
+48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogenic
+48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogenic
+48414256,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],carcinogenic
+48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414258,C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+],non-carcinogenic
+48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogenic
+48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,non-carcinogenic
+48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
+48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,non-carcinogenic
+48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogenic
+48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,carcinogenic
+48414266,CC(=O)CN(C(=O)NCCCl)N=O,non-carcinogenic
+48414267,CC(=O)CN(C(=O)N)N=O,non-carcinogenic
+48414268,C=CC(=O)C1=CC2=C(C=C1)OCO2,non-carcinogenic
+48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
+48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
+48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogenic
+48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogenic
+48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogenic
+48414275,[O-][O+]=O,non-carcinogenic
+48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogenic
+48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414278,C1C=C2C(=CC(=O)O2)C(O1)O,non-carcinogenic
+48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
+48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,non-carcinogenic
+48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
+48414288,CCCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
+48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogenic
+48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
+48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogenic
+48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
+48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
+48414297,C1=CC=C(C=C1)CCN=C=S,non-carcinogenic
+48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
+48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,non-carcinogenic
+48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
+48414301,C1=CC=C(C=C1)O,non-carcinogenic
+48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
+48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
+48414305,CN(C)N=NC1=CC=CC=C1,carcinogenic
+48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
+48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
+48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
+48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
+48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
+48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
+48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogenic
+48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
+48414316,C1=CC(=CC=C1N)N,non-carcinogenic
+48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
+48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
+48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
+48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
+48414321,COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O,non-carcinogenic
+48414323,C1C(O1)COC2=CC=CC=C2,carcinogenic
+48414324,C1=CC=C(C=C1)CCCCCCN=C=S,non-carcinogenic
+48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,carcinogenic
+48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogenic
+48414332,C1=CC=C(C=C1)CCCN=C=S,non-carcinogenic
+48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
+48414336,P,non-carcinogenic
+48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
+48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
+48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
+48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogenic
+48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogenic
+48414343,C1CNCCN1,non-carcinogenic
+48414344,C1CCNCC1,non-carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,non-carcinogenic
+48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
+48414349,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
+48414350,CC1(COC1=O)C,carcinogenic
+48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
+48414353,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br,non-carcinogenic
+48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
+48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
+48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
+48414358,C(=O)(O)[O-].[K+],carcinogenic
+48414359,[Cl-].[K+],non-carcinogenic
+48414360,[K+].[I-],carcinogenic
+48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
+48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogenic
+48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
+48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogenic
+48414365,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O,carcinogenic
+48414366,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,carcinogenic
+48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogenic
+48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,non-carcinogenic
+48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,non-carcinogenic
+48414372,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,carcinogenic
+48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
+48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
+48414378,C1COS(=O)(=O)C1,carcinogenic
+48414380,C1COC1=O,carcinogenic
+48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
+48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
+48414386,CCCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414387,CCCN(C(=O)N)N=O,carcinogenic
+48414388,CC=C,non-carcinogenic
+48414389,CC(CO)O,non-carcinogenic
+48414390,CC(COC(C)(C)C)O,non-carcinogenic
+48414391,CC1CO1,carcinogenic
+48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
+48414395,CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO,non-carcinogenic
+48414396,C1=CC(=C(C=C1C(=O)O)O)O,non-carcinogenic
+48414397,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogenic
+48414398,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,carcinogenic
+48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
+48414400,C1=CC=NC=C1,carcinogenic
+48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogenic
+48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
+48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogenic
+48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogenic
+48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
+48414407,C1=CC(=CC=C1NO)N=O,carcinogenic
+48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
+48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogenic
+48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
+48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogenic
+48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],carcinogenic
+48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogenic
+48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414417,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogenic
+48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogenic
+48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
+48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
+48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
+48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
+48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogenic
+48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
+48414427,CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C,carcinogenic
+48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
+48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
+48414430,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,non-carcinogenic
+48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,non-carcinogenic
+48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogenic
+48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
+48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
+48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogenic
+48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogenic
+48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
+48414438,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2],non-carcinogenic
+48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],carcinogenic
+48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
+48414441,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,carcinogenic
+48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
+48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
+48414450,S=[Se],carcinogenic
+48414451,CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C,carcinogenic
+48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
+48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
+48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
+48414457,[Na+].[Cl-],non-carcinogenic
+48414458,[O-]Cl=O.[Na+],non-carcinogenic
+48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogenic
+48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
+48414461,[O-]Cl.[Na+],non-carcinogenic
+48414462,[O-]P(=O)=O.[Na+],non-carcinogenic
+48414463,CC=CC=CC(=O)O,non-carcinogenic
+48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
+48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
+48414467,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,non-carcinogenic
+48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48414471,C=CC1=CC=CC=C1,carcinogenic
+48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
+48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
+48414474,C1CC(=O)OC1=O,non-carcinogenic
+48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogenic
+48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
+48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48414483,C1C=CCS1(=O)=O,non-carcinogenic
+48414484,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C,carcinogenic
+48414485,CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O,non-carcinogenic
+48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogenic
+48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogenic
+48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogenic
+48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
+48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogenic
+48414494,C(CS(=O)(=O)O)N,non-carcinogenic
+48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414500,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,carcinogenic
+48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
+48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
+48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
+48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
+48414506,C(C(Cl)(Cl)Cl)Cl,non-carcinogenic
+48414507,C(C(Cl)Cl)(Cl)Cl,non-carcinogenic
+48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
+48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogenic
+48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
+48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,non-carcinogenic
+48414513,C(C(F)(F)F)F,carcinogenic
+48414514,C(=C(F)F)(F)F,carcinogenic
+48414515,C1CCON(C1)N=O,carcinogenic
+48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
+48414517,C1CCOC1,carcinogenic
+48414518,C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O,non-carcinogenic
+48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
+48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogenic
+48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
+48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
+48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogenic
+48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
+48414529,CC(=S)N,carcinogenic
+48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
+48414532,C(#N)[S-].[Na+],non-carcinogenic
+48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
+48414534,C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O,carcinogenic
+48414535,C(=S)(N)NN,non-carcinogenic
+48414536,C1=CNC(=S)NC1=O,carcinogenic
+48414537,C(=S)(N)N,carcinogenic
+48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
+48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
+48414541,O=[Ti]=O,non-carcinogenic
+48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogenic
+48414544,CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,non-carcinogenic
+48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogenic
+48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
+48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
+48414549,CC1=CC=CC=C1,carcinogenic
+48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
+48414551,CC1=CC=CC=C1S(=O)(=O)N,carcinogenic
+48414552,CC1=CC(=CC=C1)N.Cl,non-carcinogenic
+48414553,CC1=CC=CC=C1N.Cl,carcinogenic
+48414554,CC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48414555,CC1=CC=C(C=C1)NC(=O)N,non-carcinogenic
+48414556,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
+48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,non-carcinogenic
+48414559,C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4,carcinogenic
+48414560,CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C,carcinogenic
+48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,non-carcinogenic
+48414563,C(Br)(Br)Br,carcinogenic
+48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
+48414565,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,carcinogenic
+48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogenic
+48414568,C(=O)(C(Cl)(Cl)Cl)O,non-carcinogenic
+48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,non-carcinogenic
+48414570,C(C(Cl)Cl)Cl,non-carcinogenic
+48414571,CC(Cl)(Cl)Cl,non-carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
+48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,non-carcinogenic
+48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
+48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
+48414579,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-carcinogenic
+48414580,C(C(CCl)Cl)Cl,carcinogenic
+48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
+48414582,C(CO)N(CCO)CCO,non-carcinogenic
+48414583,C(COCCOCCO)O,non-carcinogenic
+48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
+48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-carcinogenic
+48414586,CC1(C(=O)N(C(=O)O1)C)C,non-carcinogenic
+48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogenic
+48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
+48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
+48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
+48414591,C[As](=O)(C)C,carcinogenic
+48414592,CC1=CC(=C(C=C1)C)C,carcinogenic
+48414593,COP(=O)(OC)OC,non-carcinogenic
+48414594,CNC(=S)N(C)C,carcinogenic
+48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogenic
+48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
+48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
+48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
+48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
+48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogenic
+48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,non-carcinogenic
+48414606,CC(CN(CC(C)O)CC(C)O)O,non-carcinogenic
+48414607,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC,non-carcinogenic
+48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
+48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
+48414610,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+48414616,C1=CNC(=O)NC1=O,carcinogenic
+48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogenic
+48414618,C(=O)(N)N,non-carcinogenic
+48414619,CCOC(=O)N,carcinogenic
+48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
+48414622,CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,non-carcinogenic
+48414623,CC(=O)OC=C,carcinogenic
+48414624,C=CBr,carcinogenic
+48414626,C=CCl,carcinogenic
+48414627,C=CF,carcinogenic
+48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
+48414630,C=C(Cl)Cl,non-carcinogenic
+48414631,C=C(F)F,non-carcinogenic
+48414632,C=CN1CCCC1=O,carcinogenic
+48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],carcinogenic
+48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
+48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
+48414638,CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl,non-carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414641,CC1=CC(=C(C=C1)N)C.Cl,non-carcinogenic
+48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
+48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
+48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogenic
+48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogenic
+48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogenic
+48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,non-carcinogenic
+48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogenic
+48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
+48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,non-carcinogenic
+48414654,CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2],non-carcinogenic
+48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogenic
+48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],carcinogenic
index d8c5c82..5adc8d7 100644 (file)
 SID,SMILES,Carcinogenicity-Rodents
-48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogen
-48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogen
-48413129,CC=O,carcinogen
-48413130,CC=NN(C)C=O,carcinogen
-48413132,CC(=O)N,carcinogen
-48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogen
-48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogen
-48413136,CC#N,non-carcinogen
-48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogen
-48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogen
-48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogen
-48413142,CC(=O)NNC1=CC=CC=C1,carcinogen
-48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogen
-48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogen
-48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogen
-48413150,C=CC=O,non-carcinogen
-48413151,CCOC(C=C)OCC,non-carcinogen
-48413152,C=CC=NO,non-carcinogen
-48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogen
-48413154,C=CC(=O)N,carcinogen
-48413155,C=CC(=O)O,non-carcinogen
-48413156,C=CC#N,carcinogen
-48413158,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,carcinogen
-48413159,C(CCC(=O)N)CC(=O)N,non-carcinogen
-48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogen
-48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
-48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
-48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogen
-48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogen
-48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogen
-48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogen
-48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogen
-48413171,C=CCO,non-carcinogen
-48413172,C=CCCl,non-carcinogen
-48413175,CC(C)CC(=O)OCC=C,carcinogen
-48413176,C=CCN(C(=O)N)N=O,carcinogen
-48413177,C=CCNN.Cl,carcinogen
-48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogen
-48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogen
-48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogen
-48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogen
-48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogen
-48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogen
-48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogen
-48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogen
-48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogen
-48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogen
-48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogen
-48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogen
-48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogen
-48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogen
-48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogen
-48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogen
-48413203,C1=NNC(=N1)N,carcinogen
-48413204,C(CCCCCN)CCCCC(=O)O,carcinogen
-48413207,[NH4+].[OH-],non-carcinogen
-48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogen
-48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogen
-48413211,CCCCCN(C(=O)N)N=O,carcinogen
-48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogen
-48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogen
-48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogen
-48413218,C1=CC=C(C=C1)N.Cl,carcinogen
-48413219,COC1=CC=CC=C1N.Cl,carcinogen
-48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogen
-48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogen
-48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogen
-48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogen
-48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogen
-48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogen
-48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogen
-48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogen
-48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413231,O[As](=O)(O)[O-].[Na+],non-carcinogen
-48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogen
-48413233,[O-][As]=O.[Na+],non-carcinogen
-48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogen
-48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogen
-48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogen
-48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogen
-48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogen
-48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogen
-48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogen
-48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogen
-48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogen
-48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogen
-48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogen
-48413250,[N-]=[N+]=[N-].[Na+],non-carcinogen
-48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogen
-48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogen
-48413253,CN=[N+](C)[O-],carcinogen
-48413254,CCCN=[N+](CCC)[O-],carcinogen
-48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogen
-48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogen
-48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogen
-48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogen
-48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogen
-48413263,C1=CC=C(C=C1)C=O,carcinogen
-48413264,C1=CC=CC=C1,carcinogen
-48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogen
-48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogen
-48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
-48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogen
-48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogen
-48413271,C1=CC=C2C(=C1)C=CO2,carcinogen
-48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogen
-48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogen
-48413275,C1=CC(=O)C=CC1=O,carcinogen
-48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogen
-48413277,C1=CC2=NNN=C2C=C1,non-carcinogen
-48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogen
-48413279,C1=CC=C(C=C1)C(=O)NN,carcinogen
-48413280,CC(=O)OCC1=CC=CC=C1,carcinogen
-48413281,C1=CC=C(C=C1)CO,non-carcinogen
-48413282,C1=CC=C(C=C1)CCl,carcinogen
-48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogen
-48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogen
-48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogen
-48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogen
-48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogen
-48413293,C(C(CO)(CBr)CBr)O,carcinogen
-48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogen
-48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogen
-48413296,CC(CCl)OC(C)CCl,carcinogen
-48413302,C(OCCl)Cl,carcinogen
-48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogen
-48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogen
-48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogen
-48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogen
-48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogen
-48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogen
-48413314,C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogen
-48413315,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogen
-48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogen
-48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogen
-48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogen
-48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogen
-48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogen
-48413324,B(O)(O)O,non-carcinogen
-48413325,[O-]Br(=O)=O.[K+],carcinogen
-48413326,C(C=O)Br,non-carcinogen
-48413328,C(Cl)(Cl)Br,carcinogen
-48413329,CCBr,carcinogen
-48413330,C(CBr)O,carcinogen
-48413333,C=CC=C,carcinogen
-48413334,CCCCOCCO,carcinogen
-48413335,CC(C)(C)O,carcinogen
-48413337,CCCCCl,non-carcinogen
-48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413339,CCCCN(C=O)N,carcinogen
-48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogen
-48413341,CCCCN(CCCCO)N=O,carcinogen
-48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogen
-48413345,CCCCN(C(=O)N)N=O,carcinogen
-48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogen
-48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogen
-48413348,CCCCN(CCCC)N,carcinogen
-48413349,CCCCNN.Cl,carcinogen
-48413350,CCCCNNCCCC.Cl.Cl,carcinogen
-48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogen
-48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogen
-48413354,CCCCNC(=O)N,non-carcinogen
-48413356,C1CC(=O)OC1,non-carcinogen
-48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogen
-48413358,[Cl-].[Cl-].[Cd+2],carcinogen
-48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogen
-48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogen
-48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogen
-48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogen
-48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogen
-48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogen
-48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogen
-48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogen
-48413372,C1CCC(=O)NCC1,non-carcinogen
-48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogen
-48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogen
-48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
-48413376,C(=O)(N)NN.Cl,carcinogen
-48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogen
-48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogen
-48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogen
-48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogen
-48413382,C(Cl)(Cl)(Cl)Cl,carcinogen
-48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogen
-48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogen
-48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogen
-48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogen
-48413390,C1=CC=C(C(=C1)O)O,carcinogen
-48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogen
-48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogen
-48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogen
-48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogen
-48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogen
-48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413405,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],non-carcinogen
-48413407,ClCl,non-carcinogen
-48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogen
-48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogen
-48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogen
-48413413,CC(=C)CCl,carcinogen
-48413413,CC(=C)CCl,carcinogen
-48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogen
-48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogen
-48413417,C1=CC(=C(C=C1N)N)Cl,carcinogen
-48413418,C1=CC(=C(C=C1Cl)N)N,carcinogen
-48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogen
-48413420,CC(CCl)O,non-carcinogen
-48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogen
-48413422,CC1=C(C=C(C=C1)Cl)N,carcinogen
-48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogen
-48413424,C(C(F)(F)F)Cl,carcinogen
-48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogen
-48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogen
-48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogen
-48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogen
-48413430,C1=CC(=CC=C1N)Cl,non-carcinogen
-48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogen
-48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogen
-48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogen
-48413436,C(F)(F)Cl,non-carcinogen
-48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogen
-48413440,C(F)Cl,carcinogen
-48413441,C(Cl)(Cl)Cl,carcinogen
-48413442,COCCl,carcinogen
-48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogen
-48413444,C1=CC(=CN=C1)CCl.Cl,carcinogen
-48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
-48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogen
-48413447,CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C,non-carcinogen
-48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogen
-48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogen
-48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogen
-48413451,C=CC(=C)Cl,carcinogen
-48413451,C=CC(=C)Cl,carcinogen
-48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogen
-48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogen
-48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogen
-48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogen
-48413461,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+],non-carcinogen
-48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogen
-48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogen
-48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogen
-48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogen
-48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogen
-48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogen
-48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogen
-48413470,CC(=CCCC(=CC=O)C)C,non-carcinogen
-48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogen
-48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogen
-48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogen
-48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogen
-48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogen
-48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogen
-48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogen
-48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogen
-48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogen
-48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogen
-48413488,CC1=C(C=CC(=C1)OC)N,carcinogen
-48413489,CC1=CC(=C(C=C1)OC)N,carcinogen
-48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogen
-48413494,C(#N)N=C(N)N,non-carcinogen
-48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogen
-48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogen
-48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogen
-48413499,C1CCC(=O)CC1,non-carcinogen
-48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogen
-48413501,C1CCC(CC1)N.Cl,non-carcinogen
-48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogen
-48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogen
-48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogen
-48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogen
-48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogen
-48413508,C(C(C(=O)O)N)S.Cl,non-carcinogen
-48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogen
-48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogen
-48413511,CN(C)NC(=O)CCC(=O)O,carcinogen
-48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogen
-48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogen
-48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogen
-48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogen
-48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogen
-48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogen
-48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogen
-48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogen
-48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogen
-48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogen
-48413532,CC(=O)NNC(=O)C,non-carcinogen
-48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogen
-48413535,C=CCN(CC=C)N,carcinogen
-48413536,C=CCNNCC=C.Cl.Cl,carcinogen
-48413537,C=CCN(CC=C)N=O,carcinogen
-48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogen
-48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogen
-48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogen
-48413544,CC1=C(C=C(C=C1)N)N,carcinogen
-48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogen
-48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogen
-48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogen
-48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogen
-48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogen
-48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogen
-48413554,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl,non-carcinogen
-48413555,C(C(CBr)Br)Cl,carcinogen
-48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
-48413557,C(CBr)Br,carcinogen
-48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
-48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogen
-48413560,CCCCNC(=O)N(CCCC)N=O,carcinogen
-48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogen
-48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogen
-48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogen
-48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogen
-48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogen
-48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogen
-48413570,C(C(=O)O)(Cl)Cl,carcinogen
-48413571,C(#CCl)Cl,carcinogen
-48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogen
-48413573,C1=CC(=CC=C1Cl)Cl,carcinogen
-48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48413576,C(C=CCCl)Cl,carcinogen
-48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogen
-48413579,C(F)(F)(Cl)Cl,non-carcinogen
-48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
-48413581,CC(Cl)Cl,non-carcinogen
-48413582,C(CCl)Cl,carcinogen
-48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogen
-48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogen
-48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogen
-48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
-48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogen
-48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogen
-48413592,CC(CCl)Cl,carcinogen
-48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogen
-48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogen
-48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogen
-48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogen
-48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogen
-48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogen
-48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogen
-48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogen
-48413612,CCNC(=S)NCC,carcinogen
-48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogen
-48413614,C(=O)NNC=O,carcinogen
-48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogen
-48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogen
-48413620,C1CC(=O)OC2=CC=CC=C21,carcinogen
-48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogen
-48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogen
-48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogen
-48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogen
-48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogen
-48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogen
-48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogen
-48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogen
-48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogen
-48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogen
-48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogen
-48413641,CO[P+](=O)OC,carcinogen
-48413643,COP(=O)(N1CCOCC1)OC,carcinogen
-48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogen
-48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogen
-48413647,CC(=O)N(C)C,non-carcinogen
-48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogen
-48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogen
-48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogen
-48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogen
-48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogen
-48413661,CN(C)C(=O)Cl,carcinogen
-48413662,CNC.CN(C)C(=S)S,non-carcinogen
-48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogen
-48413664,CN(C)C=O,non-carcinogen
-48413665,CN(C)N,carcinogen
-48413666,CNNC.Cl.Cl,carcinogen
-48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413668,CN(C)[N+](=O)[O-],carcinogen
-48413670,CC(=CCl)C,carcinogen
-48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413676,C1CN(CCN(C1)N=O)N=O,carcinogen
-48413678,C1CN(CCN1N=O)N=O,carcinogen
-48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogen
-48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogen
-48413684,C1COCCO1,carcinogen
-48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogen
-48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogen
-48413687,CCCCCN(CCCCC)N=O,carcinogen
-48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogen
-48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogen
-48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogen
-48413694,CCC(O)OC(CC)O,non-carcinogen
-48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogen
-48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogen
-48413697,C(=S)(N)NNC(=S)N,non-carcinogen
-48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogen
-48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogen
-48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogen
-48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogen
-48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogen
-48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogen
-48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogen
-48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogen
-48413719,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogen
-48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogen
-48413721,C1C(O1)CCl,carcinogen
-48413724,CCC1CO1,carcinogen
-48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogen
-48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogen
-48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogen
-48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,carcinogen
-48413734,CCSCCC(C(=O)O)N,carcinogen
-48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogen
-48413738,CCOC(=O)C=C,carcinogen
-48413739,CCO,carcinogen
-48413740,CCN=[N+](CC)[O-],carcinogen
-48413741,CC[N+](=NC)[O-],carcinogen
-48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogen
-48413745,CCN(C=O)N,carcinogen
-48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogen
-48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48413748,CCN(C(=O)N)N=O,carcinogen
-48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogen
-48413751,CCC1=CC=CC=C1,carcinogen
-48413752,C(CO)O,non-carcinogen
-48413754,C1CN1,carcinogen
-48413755,C1CO1,carcinogen
-48413756,C1CNC(=S)N1,carcinogen
-48413757,C1CNC(=O)N1,non-carcinogen
-48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogen
-48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogen
-48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogen
-48413763,CCNN.Cl,carcinogen
-48413764,CCN(C(=O)NCCO)N=O,carcinogen
-48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogen
-48413766,CCN(C#N)N=O,carcinogen
-48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogen
-48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogen
-48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogen
-48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogen
-48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogen
-48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogen
-48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogen
-48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogen
-48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogen
-48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogen
-48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogen
-48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogen
-48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogen
-48413785,[F-].[Na+],non-carcinogen
-48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogen
-48413789,C1=C(C(=O)NC(=O)N1)F,carcinogen
-48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogen
-48413792,C=O,carcinogen
-48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogen
-48413797,C(=O)NN,carcinogen
-48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogen
-48413801,C1=COC=C1,carcinogen
-48413802,C1=COC(=C1)C=O,carcinogen
-48413803,C1=COC(=C1)CO,carcinogen
-48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogen
-48413809,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],carcinogen
-48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogen
-48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogen
-48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogen
-48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogen
-48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogen
-48413818,C(CC=O)CC=O,non-carcinogen
-48413821,C(C(CCl)O)O,non-carcinogen
-48413823,C1C(O1)CO,carcinogen
-48413827,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Na+].[Na+],non-carcinogen
-48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],carcinogen
-48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogen
-48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogen
-48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413837,C1CCCNCCC1,non-carcinogen
-48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogen
-48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogen
-48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogen
-48413848,CC=CC=CC=O,carcinogen
-48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogen
-48413850,C1N2CN3CN1CN(C2)C3,non-carcinogen
-48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogen
-48413853,CCCCCC=NN(C)C=O,carcinogen
-48413857,CCCCCCN(C(=O)N)N=O,carcinogen
-48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogen
-48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogen
-48413861,NN,carcinogen
-48413862,NN.OS(=O)(=O)O,carcinogen
-48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogen
-48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogen
-48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogen
-48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogen
-48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogen
-48413871,C(C(F)(F)F)(Cl)Cl,carcinogen
-48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogen
-48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogen
-48413875,C1=CC(=CC=C1O)O,carcinogen
-48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogen
-48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogen
-48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogen
-48413884,CCNC(=O)N(CCO)N=O,carcinogen
-48413885,C(CO)N(C(=O)N)N=O,carcinogen
-48413888,C(CN(C(=O)N)N=O)CO,carcinogen
-48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogen
-48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogen
-48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogen
-48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogen
-48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogen
-48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogen
-48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogen
-48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogen
-48413900,CC(C1OCC(O1)CO)I,carcinogen
-48413902,C(I)(I)I,non-carcinogen
-48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogen
-48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogen
-48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogen
-48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogen
-48413910,CC(C)CON=O,carcinogen
-48413912,CC(C)C=O,non-carcinogen
-48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogen
-48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogen
-48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogen
-48413916,C1=CN=CC=C1C(=O)NN,carcinogen
-48413917,C1=CN=CC=C1C(=O)N,non-carcinogen
-48413918,C1=CN=CC=C1C(=O)O,non-carcinogen
-48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogen
-48413920,CC1=CC(=O)CC(C1)(C)C,carcinogen
-48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogen
-48413922,CC(=C)C=C,carcinogen
-48413923,CC(C)O,non-carcinogen
-48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogen
-48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogen
-48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogen
-48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogen
-48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogen
-48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogen
-48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogen
-48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413935,C1=C(OC=C(C1=O)O)CO,carcinogen
-48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogen
-48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogen
-48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogen
-48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogen
-48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogen
-48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogen
-48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogen
-48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogen
-48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogen
-48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogen
-48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogen
-48413951,CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O,carcinogen
-48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogen
-48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogen
-48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogen
-48413956,C1=CC(=O)NNC1=O,non-carcinogen
-48413957,C(=C[O-])C=O.[Na+],carcinogen
-48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogen
-48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
-48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogen
-48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogen
-48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogen
-48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogen
-48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogen
-48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogen
-48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogen
-48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogen
-48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogen
-48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogen
-48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogen
-48413980,CC(=C)C#N,non-carcinogen
-48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogen
-48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogen
-48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogen
-48413985,CN1C=CNC1=S,carcinogen
-48413986,CSCCC(C(=O)O)N,non-carcinogen
-48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogen
-48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogen
-48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogen
-48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogen
-48413993,COC1=CC=C(C=C1)O,carcinogen
-48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogen
-48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogen
-48413996,CCN=[N+](C)[O-],carcinogen
-48413997,CBr,non-carcinogen
-48413998,CC(C)(C)OC,carcinogen
-48413999,COC(=O)N,carcinogen
-48414000,COC(=O)NN,non-carcinogen
-48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogen
-48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogen
-48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogen
-48414006,CN(C=O)N,carcinogen
-48414007,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O,non-carcinogen
-48414010,CC(=C)C(=O)OC,non-carcinogen
-48414011,COS(=O)(=O)C,carcinogen
-48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogen
-48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogen
-48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogen
-48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogen
-48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414022,CN1CCCC1=O,carcinogen
-48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogen
-48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogen
-48414026,CC(C)CC=NN(C)C=O,carcinogen
-48414027,CC1=CC(=C(C=C1)O)O,carcinogen
-48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogen
-48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogen
-48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogen
-48414034,C(Cl)Cl,carcinogen
-48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogen
-48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogen
-48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
-48414038,CCC(=NO)C,carcinogen
-48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogen
-48414042,CNN,carcinogen
-48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogen
-48414045,CC1=NC=CN1,carcinogen
-48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogen
-48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogen
-48414048,CN[N+](=O)[O-],carcinogen
-48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogen
-48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogen
-48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogen
-48414054,C=CC(=O)NCO,carcinogen
-48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogen
-48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogen
-48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogen
-48414058,CC1=CC=C(C=C1)C=C,non-carcinogen
-48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogen
-48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogen
-48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogen
-48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogen
-48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogen
-48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogen
-48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogen
-48414069,O=[Mo](=O)=O,carcinogen
-48414070,CC(=O)NN,carcinogen
-48414071,C(C(=O)O)Cl,non-carcinogen
-48414073,C[As](=O)(O)O,non-carcinogen
-48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogen
-48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogen
-48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogen
-48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogen
-48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogen
-48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogen
-48414084,C1=CC=C2C=CC=CC2=C1,carcinogen
-48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogen
-48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogen
-48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogen
-48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogen
-48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogen
-48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogen
-48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogen
-48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogen
-48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogen
-48414096,[Ni],non-carcinogen
-48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogen
-48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogen
-48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogen
-48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogen
-48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogen
-48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogen
-48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogen
-48414104,C1=CC(=CN=C1)C(=O)NN,carcinogen
-48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogen
-48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogen
-48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogen
-48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogen
-48414112,N(=O)[O-].[Na+],carcinogen
-48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
-48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogen
-48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogen
-48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogen
-48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogen
-48414126,CCC=C(CC)[N+](=O)[O-],carcinogen
-48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogen
-48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogen
-48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
-48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogen
-48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogen
-48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogen
-48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogen
-48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogen
-48414140,CC[N+](=O)[O-],non-carcinogen
-48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogen
-48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogen
-48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414148,C[N+](=O)[O-],carcinogen
-48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogen
-48414151,CCC[N+](=O)[O-],non-carcinogen
-48414152,CC(C)[N+](=O)[O-],non-carcinogen
-48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogen
-48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogen
-48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogen
-48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogen
-48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogen
-48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogen
-48414160,C1CN(C(=O)NC1=O)N=O,carcinogen
-48414161,CC(CN(CC(CO)O)N=O)O,carcinogen
-48414162,CC(=O)CN(CC(CO)O)N=O,carcinogen
-48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogen
-48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogen
-48414168,CC(CN(CCO)N=O)O,carcinogen
-48414171,CCCCCCCCCCCCN(C)N=O,carcinogen
-48414174,CN(CCC1=CC=CC=C1)N=O,carcinogen
-48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogen
-48414176,CCCCCCCCCCN(C)N=O,carcinogen
-48414177,CN(C(=O)N)N=O,carcinogen
-48414178,C1COC(=O)N1N=O,carcinogen
-48414179,CC(=O)CN(CCO)N=O,carcinogen
-48414181,C1CN(CC=C1)N=O,carcinogen
-48414182,CCN(CC(F)(F)F)N=O,carcinogen
-48414184,CC1CN(CC(N1C)C)N=O,carcinogen
-48414185,C=CCN(CC(CO)O)N=O,carcinogen
-48414186,CC(CN(CC=C)N=O)O,carcinogen
-48414187,CC(=O)CN(CC=C)N=O,carcinogen
-48414188,C=CCN(CCO)N=O,carcinogen
-48414189,CCCCCN(C(=O)OCC)N=O,carcinogen
-48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogen
-48414192,CC(CN(CC(C)O)N=O)O,carcinogen
-48414193,CC(=O)CN(CC(=O)C)N=O,carcinogen
-48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogen
-48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogen
-48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogen
-48414197,CCCCN(CCCC)N=O,carcinogen
-48414198,C(CO)N(CCO)N=O,carcinogen
-48414199,CCN(CC)N=O,carcinogen
-48414200,CN(C)N=O,carcinogen
-48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogen
-48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogen
-48414203,CCCN(CCC)N=O,carcinogen
-48414205,C1CCCCCCN(CCCCC1)N=O,carcinogen
-48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogen
-48414207,CCN(C)N=O,carcinogen
-48414208,CCN(C(=O)OCC)N=O,carcinogen
-48414210,C1CCCN(CCC1)N=O,carcinogen
-48414211,C1CCCN(CC1)N=O,carcinogen
-48414212,C1C(=O)NC(=O)N1N=O,carcinogen
-48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogen
-48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogen
-48414216,CN(CC(CO)O)N=O,carcinogen
-48414217,CN(CCO)N=O,carcinogen
-48414218,CN(CCCO)N=O,carcinogen
-48414219,CC(CN(C)N=O)O,carcinogen
-48414220,CC(=O)CN(C)N=O,carcinogen
-48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogen
-48414225,CN(C1=CC=CC=C1)N=O,carcinogen
-48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogen
-48414227,CCCCCCCCCCCN(C)N=O,carcinogen
-48414228,C1COCCN1N=O,carcinogen
-48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogen
-48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogen
-48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogen
-48414232,C1CN(CCN1)N=O,carcinogen
-48414233,C1CCN(CC1)N=O,carcinogen
-48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogen
-48414235,C1CCN(C1)N=O,carcinogen
-48414236,CC1N(C(SC(S1)C)C)N=O,carcinogen
-48414237,C1CSCCN1N=O,carcinogen
-48414238,CC1=CC=CC=C1N=O,carcinogen
-48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414241,N#[N+][O-],non-carcinogen
-48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogen
-48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogen
-48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogen
-48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogen
-48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogen
-48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogen
-48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogen
-48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogen
-48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogen
-48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogen
-48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,carcinogen
-48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogen
-48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogen
-48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogen
-48414266,CC(=O)CN(C(=O)NCCCl)N=O,carcinogen
-48414267,CC(=O)CN(C(=O)N)N=O,carcinogen
-48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogen
-48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogen
-48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogen
-48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogen
-48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogen
-48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogen
-48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogen
-48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogen
-48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogen
-48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogen
-48414287,CCCCC=NN(C)C=O,carcinogen
-48414289,CCCCCNN.Cl,carcinogen
-48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogen
-48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogen
-48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogen
-48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogen
-48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogen
-48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogen
-48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogen
-48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogen
-48414301,C1=CC=C(C=C1)O,non-carcinogen
-48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogen
-48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogen
-48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogen
-48414306,C1=CC=C(C=C1)N=C=S,non-carcinogen
-48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogen
-48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogen
-48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogen
-48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogen
-48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogen
-48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogen
-48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogen
-48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogen
-48414315,C1=CC(=CC(=C1)N)N,non-carcinogen
-48414316,C1=CC(=CC=C1N)N,non-carcinogen
-48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogen
-48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogen
-48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogen
-48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogen
-48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogen
-48414323,C1C(O1)COC2=CC=CC=C2,carcinogen
-48414326,C1=CC=C(C=C1)NN.Cl,carcinogen
-48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogen
-48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogen
-48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogen
-48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogen
-48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogen
-48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogen
-48414336,P,non-carcinogen
-48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogen
-48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogen
-48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogen
-48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogen
-48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogen
-48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogen
-48414343,C1CNCCN1,non-carcinogen
-48414344,C1CCNCC1,non-carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogen
-48414350,CC1(COC1=O)C,carcinogen
-48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogen
-48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogen
-48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogen
-48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogen
-48414358,C(=O)(O)[O-].[K+],carcinogen
-48414359,[Cl-].[K+],non-carcinogen
-48414360,[K+].[I-],carcinogen
-48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogen
-48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogen
-48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogen
-48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogen
-48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogen
-48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogen
-48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogen
-48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogen
-48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogen
-48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogen
-48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogen
-48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogen
-48414378,C1COS(=O)(=O)C1,carcinogen
-48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogen
-48414380,C1COC1=O,carcinogen
-48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogen
-48414382,CCCCN(CC)C(=O)SCCC,non-carcinogen
-48414383,CCCN(C=O)N,carcinogen
-48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogen
-48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogen
-48414387,CCCN(C(=O)N)N=O,carcinogen
-48414388,CC=C,non-carcinogen
-48414389,CC(CO)O,non-carcinogen
-48414390,CC(COC(C)(C)C)O,carcinogen
-48414391,CC1CO1,carcinogen
-48414392,CCCNN.Cl,carcinogen
-48414393,CCCC1=CC(=O)NC(=S)N1,carcinogen
-48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogen
-48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogen
-48414400,C1=CC=NC=C1,carcinogen
-48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogen
-48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogen
-48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogen
-48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogen
-48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogen
-48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogen
-48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogen
-48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogen
-48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogen
-48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],carcinogen
-48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogen
-48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogen
-48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogen
-48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogen
-48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogen
-48414423,C1=CC(=CC(=C1)O)O,non-carcinogen
-48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogen
-48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogen
-48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogen
-48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogen
-48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogen
-48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogen
-48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogen
-48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogen
-48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogen
-48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogen
-48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogen
-48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogen
-48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogen
-48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogen
-48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogen
-48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogen
-48414450,S=[Se],carcinogen
-48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogen
-48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogen
-48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogen
-48414455,C(=O)(O)[O-].[Na+],non-carcinogen
-48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogen
-48414457,[Na+].[Cl-],non-carcinogen
-48414458,[O-]Cl=O.[Na+],non-carcinogen
-48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogen
-48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogen
-48414461,[O-]Cl.[Na+],non-carcinogen
-48414462,[O-]P(=O)=O.[Na+],non-carcinogen
-48414463,CC=CC=CC(=O)O,non-carcinogen
-48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogen
-48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogen
-48414467,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,non-carcinogen
-48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogen
-48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogen
-48414471,C=CC1=CC=CC=C1,carcinogen
-48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogen
-48414473,C1C(O1)C2=CC=CC=C2,carcinogen
-48414474,C1CC(=O)OC1=O,non-carcinogen
-48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogen
-48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogen
-48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogen
-48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogen
-48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogen
-48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
-48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogen
-48414483,C1C=CCS1(=O)=O,non-carcinogen
-48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogen
-48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogen
-48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogen
-48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogen
-48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogen
-48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogen
-48414494,C(CS(=O)(=O)O)N,non-carcinogen
-48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogen
-48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogen
-48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogen
-48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogen
-48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogen
-48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogen
-48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogen
-48414506,C(C(Cl)(Cl)Cl)Cl,carcinogen
-48414507,C(C(Cl)Cl)(Cl)Cl,carcinogen
-48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogen
-48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogen
-48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogen
-48414514,C(=C(F)F)(F)F,carcinogen
-48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogen
-48414517,C1CCOC1,carcinogen
-48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogen
-48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogen
-48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
-48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogen
-48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogen
-48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogen
-48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogen
-48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogen
-48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogen
-48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogen
-48414529,CC(=S)N,carcinogen
-48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogen
-48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogen
-48414532,C(#N)[S-].[Na+],non-carcinogen
-48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogen
-48414535,C(=S)(N)NN,non-carcinogen
-48414536,C1=CNC(=S)NC1=O,carcinogen
-48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogen
-48414540,[Cl-].[Cl-].[Sn+2],non-carcinogen
-48414541,O=[Ti]=O,non-carcinogen
-48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogen
-48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogen
-48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogen
-48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogen
-48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogen
-48414549,CC1=CC=CC=C1,carcinogen
-48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogen
-48414553,CC1=CC=CC=C1N.Cl,carcinogen
-48414554,CC1=CC=C(C=C1)N.Cl,carcinogen
-48414556,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen
-48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogen
-48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogen
-48414563,C(Br)(Br)Br,carcinogen
-48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogen
-48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogen
-48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogen
-48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogen
-48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogen
-48414570,C(C(Cl)Cl)Cl,carcinogen
-48414571,CC(Cl)(Cl)Cl,non-carcinogen
-48414572,C(=C(Cl)Cl)Cl,carcinogen
-48414572,C(=C(Cl)Cl)Cl,carcinogen
-48414574,C(F)(Cl)(Cl)Cl,non-carcinogen
-48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
-48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogen
-48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogen
-48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogen
-48414580,C(C(CCl)Cl)Cl,carcinogen
-48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogen
-48414582,C(CO)N(CCO)CCO,carcinogen
-48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogen
-48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogen
-48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogen
-48414588,CC1=CC(=C(C=C1C)N)C,carcinogen
-48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogen
-48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogen
-48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogen
-48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogen
-48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogen
-48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogen
-48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogen
-48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogen
-48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogen
-48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogen
-48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogen
-48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogen
-48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
-48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
-48414615,CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.CC(C(=O)O)O,non-carcinogen
-48414616,C1=CNC(=O)NC1=O,carcinogen
-48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogen
-48414618,C(=O)(N)N,non-carcinogen
-48414619,CCOC(=O)N,carcinogen
-48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogen
-48414621,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
-48414623,CC(=O)OC=C,carcinogen
-48414624,C=CBr,carcinogen
-48414625,C=COC(=O)N,carcinogen
-48414626,C=CCl,carcinogen
-48414627,C=CF,carcinogen
-48414628,CC1=CC=CC(=C1)C=C,non-carcinogen
-48414630,C=C(Cl)Cl,carcinogen
-48414631,C=C(F)F,non-carcinogen
-48414632,C=CN1CCCC1=O,carcinogen
-48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],carcinogen
-48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogen
-48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
-48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogen
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogen
-48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogen
-48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogen
-48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogen
-48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogen
-48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogen
-48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414650,CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O,non-carcinogen
-48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogen
-48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogen
-48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogen
-48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogen
-48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogen
-48414660,[B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N,non-carcinogen
-48414662,CN(C)CCN(C)N=O,carcinogen
-48414663,CC1CN(CC(O1)C)N=O,carcinogen
-48414665,CCOC(=O)N(C)N=O,carcinogen
-48414666,C1COCN1N=O,carcinogen
-48414667,C1=CC=C(C=C1)CCN(C(=O)N)N=O,carcinogen
-48414669,[B-](F)(F)(F)F.[Na+],non-carcinogen
-48414670,CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)C,non-carcinogen
-48414671,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,non-carcinogen
-48414672,C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-],carcinogen
+48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogenic
+48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogenic
+48413129,CC=O,carcinogenic
+48413130,CC=NN(C)C=O,carcinogenic
+48413132,CC(=O)N,carcinogenic
+48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
+48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
+48413136,CC#N,non-carcinogenic
+48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogenic
+48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogenic
+48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogenic
+48413142,CC(=O)NNC1=CC=CC=C1,carcinogenic
+48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
+48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
+48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogenic
+48413150,C=CC=O,non-carcinogenic
+48413151,CCOC(C=C)OCC,non-carcinogenic
+48413152,C=CC=NO,non-carcinogenic
+48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogenic
+48413154,C=CC(=O)N,carcinogenic
+48413155,C=CC(=O)O,non-carcinogenic
+48413156,C=CC#N,carcinogenic
+48413158,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,carcinogenic
+48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
+48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
+48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogenic
+48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
+48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogenic
+48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogenic
+48413171,C=CCO,non-carcinogenic
+48413172,C=CCCl,non-carcinogenic
+48413175,CC(C)CC(=O)OCC=C,carcinogenic
+48413176,C=CCN(C(=O)N)N=O,carcinogenic
+48413177,C=CCNN.Cl,carcinogenic
+48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
+48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
+48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
+48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
+48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogenic
+48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
+48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogenic
+48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogenic
+48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
+48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogenic
+48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogenic
+48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
+48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogenic
+48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogenic
+48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogenic
+48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogenic
+48413203,C1=NNC(=N1)N,carcinogenic
+48413204,C(CCCCCN)CCCCC(=O)O,carcinogenic
+48413207,[NH4+].[OH-],non-carcinogenic
+48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
+48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
+48413211,CCCCCN(C(=O)N)N=O,carcinogenic
+48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
+48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogenic
+48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
+48413218,C1=CC=C(C=C1)N.Cl,carcinogenic
+48413219,COC1=CC=CC=C1N.Cl,carcinogenic
+48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
+48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogenic
+48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
+48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogenic
+48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogenic
+48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
+48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413231,O[As](=O)(O)[O-].[Na+],non-carcinogenic
+48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogenic
+48413233,[O-][As]=O.[Na+],non-carcinogenic
+48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
+48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogenic
+48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
+48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
+48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogenic
+48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogenic
+48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogenic
+48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
+48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
+48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogenic
+48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogenic
+48413250,[N-]=[N+]=[N-].[Na+],non-carcinogenic
+48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
+48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
+48413253,CN=[N+](C)[O-],carcinogenic
+48413254,CCCN=[N+](CCC)[O-],carcinogenic
+48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
+48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
+48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
+48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogenic
+48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
+48413263,C1=CC=C(C=C1)C=O,carcinogenic
+48413264,C1=CC=CC=C1,carcinogenic
+48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogenic
+48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
+48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
+48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
+48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
+48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
+48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
+48413275,C1=CC(=O)C=CC1=O,carcinogenic
+48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogenic
+48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
+48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogenic
+48413279,C1=CC=C(C=C1)C(=O)NN,carcinogenic
+48413280,CC(=O)OCC1=CC=CC=C1,carcinogenic
+48413281,C1=CC=C(C=C1)CO,non-carcinogenic
+48413282,C1=CC=C(C=C1)CCl,carcinogenic
+48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
+48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
+48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogenic
+48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogenic
+48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogenic
+48413293,C(C(CO)(CBr)CBr)O,carcinogenic
+48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogenic
+48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogenic
+48413296,CC(CCl)OC(C)CCl,carcinogenic
+48413302,C(OCCl)Cl,carcinogenic
+48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogenic
+48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogenic
+48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
+48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogenic
+48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogenic
+48413314,C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogenic
+48413315,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogenic
+48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogenic
+48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogenic
+48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
+48413324,B(O)(O)O,non-carcinogenic
+48413325,[O-]Br(=O)=O.[K+],carcinogenic
+48413326,C(C=O)Br,non-carcinogenic
+48413328,C(Cl)(Cl)Br,carcinogenic
+48413329,CCBr,carcinogenic
+48413330,C(CBr)O,carcinogenic
+48413333,C=CC=C,carcinogenic
+48413334,CCCCOCCO,carcinogenic
+48413335,CC(C)(C)O,carcinogenic
+48413337,CCCCCl,non-carcinogenic
+48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413339,CCCCN(C=O)N,carcinogenic
+48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413341,CCCCN(CCCCO)N=O,carcinogenic
+48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogenic
+48413345,CCCCN(C(=O)N)N=O,carcinogenic
+48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
+48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogenic
+48413348,CCCCN(CCCC)N,carcinogenic
+48413349,CCCCNN.Cl,carcinogenic
+48413350,CCCCNNCCCC.Cl.Cl,carcinogenic
+48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogenic
+48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
+48413354,CCCCNC(=O)N,non-carcinogenic
+48413356,C1CC(=O)OC1,non-carcinogenic
+48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
+48413358,[Cl-].[Cl-].[Cd+2],carcinogenic
+48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogenic
+48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogenic
+48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogenic
+48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogenic
+48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
+48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
+48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogenic
+48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogenic
+48413372,C1CCC(=O)NCC1,non-carcinogenic
+48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogenic
+48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
+48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48413376,C(=O)(N)NN.Cl,carcinogenic
+48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogenic
+48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogenic
+48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogenic
+48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogenic
+48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
+48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogenic
+48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
+48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogenic
+48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogenic
+48413390,C1=CC=C(C(=C1)O)O,carcinogenic
+48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
+48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogenic
+48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
+48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogenic
+48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
+48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413405,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],non-carcinogenic
+48413407,ClCl,non-carcinogenic
+48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
+48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogenic
+48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogenic
+48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogenic
+48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
+48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
+48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
+48413420,CC(CCl)O,non-carcinogenic
+48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
+48413422,CC1=C(C=C(C=C1)Cl)N,carcinogenic
+48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogenic
+48413424,C(C(F)(F)F)Cl,carcinogenic
+48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
+48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
+48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
+48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
+48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
+48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogenic
+48413436,C(F)(F)Cl,non-carcinogenic
+48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
+48413440,C(F)Cl,carcinogenic
+48413441,C(Cl)(Cl)Cl,carcinogenic
+48413442,COCCl,carcinogenic
+48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
+48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
+48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogenic
+48413447,CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C,non-carcinogenic
+48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogenic
+48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogenic
+48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
+48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
+48413461,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+],non-carcinogenic
+48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
+48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
+48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
+48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
+48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
+48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
+48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
+48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
+48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogenic
+48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogenic
+48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
+48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
+48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
+48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
+48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogenic
+48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogenic
+48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
+48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
+48413488,CC1=C(C=CC(=C1)OC)N,carcinogenic
+48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
+48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
+48413494,C(#N)N=C(N)N,non-carcinogenic
+48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogenic
+48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogenic
+48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogenic
+48413499,C1CCC(=O)CC1,non-carcinogenic
+48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogenic
+48413501,C1CCC(CC1)N.Cl,non-carcinogenic
+48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
+48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogenic
+48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
+48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogenic
+48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogenic
+48413508,C(C(C(=O)O)N)S.Cl,non-carcinogenic
+48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogenic
+48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
+48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
+48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogenic
+48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
+48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogenic
+48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogenic
+48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogenic
+48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogenic
+48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogenic
+48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
+48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogenic
+48413532,CC(=O)NNC(=O)C,non-carcinogenic
+48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
+48413535,C=CCN(CC=C)N,carcinogenic
+48413536,C=CCNNCC=C.Cl.Cl,carcinogenic
+48413537,C=CCN(CC=C)N=O,carcinogenic
+48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
+48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogenic
+48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogenic
+48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
+48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
+48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
+48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
+48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
+48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
+48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
+48413554,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl,non-carcinogenic
+48413555,C(C(CBr)Br)Cl,carcinogenic
+48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413557,C(CBr)Br,carcinogenic
+48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogenic
+48413560,CCCCNC(=O)N(CCCC)N=O,carcinogenic
+48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
+48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogenic
+48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogenic
+48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogenic
+48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogenic
+48413570,C(C(=O)O)(Cl)Cl,carcinogenic
+48413571,C(#CCl)Cl,carcinogenic
+48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
+48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
+48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48413576,C(C=CCCl)Cl,carcinogenic
+48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
+48413579,C(F)(F)(Cl)Cl,non-carcinogenic
+48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413581,CC(Cl)Cl,non-carcinogenic
+48413582,C(CCl)Cl,carcinogenic
+48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
+48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogenic
+48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
+48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogenic
+48413592,CC(CCl)Cl,carcinogenic
+48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
+48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
+48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
+48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
+48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
+48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
+48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
+48413612,CCNC(=S)NCC,carcinogenic
+48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogenic
+48413614,C(=O)NNC=O,carcinogenic
+48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogenic
+48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
+48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
+48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
+48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
+48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogenic
+48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
+48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
+48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogenic
+48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
+48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogenic
+48413641,CO[P+](=O)OC,carcinogenic
+48413643,COP(=O)(N1CCOCC1)OC,carcinogenic
+48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
+48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
+48413647,CC(=O)N(C)C,non-carcinogenic
+48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogenic
+48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogenic
+48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogenic
+48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogenic
+48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
+48413661,CN(C)C(=O)Cl,carcinogenic
+48413662,CNC.CN(C)C(=S)S,non-carcinogenic
+48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413664,CN(C)C=O,non-carcinogenic
+48413665,CN(C)N,carcinogenic
+48413666,CNNC.Cl.Cl,carcinogenic
+48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413668,CN(C)[N+](=O)[O-],carcinogenic
+48413670,CC(=CCl)C,carcinogenic
+48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413676,C1CN(CCN(C1)N=O)N=O,carcinogenic
+48413678,C1CN(CCN1N=O)N=O,carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413684,C1COCCO1,carcinogenic
+48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
+48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogenic
+48413687,CCCCCN(CCCCC)N=O,carcinogenic
+48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
+48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogenic
+48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogenic
+48413694,CCC(O)OC(CC)O,non-carcinogenic
+48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogenic
+48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogenic
+48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
+48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogenic
+48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogenic
+48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
+48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogenic
+48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
+48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogenic
+48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
+48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogenic
+48413719,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogenic
+48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
+48413721,C1C(O1)CCl,carcinogenic
+48413724,CCC1CO1,carcinogenic
+48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
+48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogenic
+48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
+48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,carcinogenic
+48413734,CCSCCC(C(=O)O)N,carcinogenic
+48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogenic
+48413738,CCOC(=O)C=C,carcinogenic
+48413739,CCO,carcinogenic
+48413740,CCN=[N+](CC)[O-],carcinogenic
+48413741,CC[N+](=NC)[O-],carcinogenic
+48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
+48413745,CCN(C=O)N,carcinogenic
+48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogenic
+48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48413748,CCN(C(=O)N)N=O,carcinogenic
+48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
+48413751,CCC1=CC=CC=C1,carcinogenic
+48413752,C(CO)O,non-carcinogenic
+48413754,C1CN1,carcinogenic
+48413755,C1CO1,carcinogenic
+48413756,C1CNC(=S)N1,carcinogenic
+48413757,C1CNC(=O)N1,non-carcinogenic
+48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogenic
+48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogenic
+48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
+48413763,CCNN.Cl,carcinogenic
+48413764,CCN(C(=O)NCCO)N=O,carcinogenic
+48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogenic
+48413766,CCN(C#N)N=O,carcinogenic
+48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
+48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
+48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogenic
+48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
+48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
+48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogenic
+48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogenic
+48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogenic
+48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
+48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
+48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogenic
+48413785,[F-].[Na+],non-carcinogenic
+48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogenic
+48413789,C1=C(C(=O)NC(=O)N1)F,carcinogenic
+48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
+48413792,C=O,carcinogenic
+48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
+48413797,C(=O)NN,carcinogenic
+48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogenic
+48413801,C1=COC=C1,carcinogenic
+48413802,C1=COC(=C1)C=O,carcinogenic
+48413803,C1=COC(=C1)CO,carcinogenic
+48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogenic
+48413809,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],carcinogenic
+48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
+48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogenic
+48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
+48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
+48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogenic
+48413818,C(CC=O)CC=O,non-carcinogenic
+48413821,C(C(CCl)O)O,non-carcinogenic
+48413823,C1C(O1)CO,carcinogenic
+48413827,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Na+].[Na+],non-carcinogenic
+48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],carcinogenic
+48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogenic
+48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
+48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413837,C1CCCNCCC1,non-carcinogenic
+48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
+48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
+48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
+48413848,CC=CC=CC=O,carcinogenic
+48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogenic
+48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
+48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogenic
+48413853,CCCCCC=NN(C)C=O,carcinogenic
+48413857,CCCCCCN(C(=O)N)N=O,carcinogenic
+48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
+48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogenic
+48413861,NN,carcinogenic
+48413862,NN.OS(=O)(=O)O,carcinogenic
+48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
+48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
+48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
+48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogenic
+48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
+48413871,C(C(F)(F)F)(Cl)Cl,carcinogenic
+48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
+48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogenic
+48413875,C1=CC(=CC=C1O)O,carcinogenic
+48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogenic
+48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
+48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogenic
+48413884,CCNC(=O)N(CCO)N=O,carcinogenic
+48413885,C(CO)N(C(=O)N)N=O,carcinogenic
+48413888,C(CN(C(=O)N)N=O)CO,carcinogenic
+48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
+48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
+48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
+48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
+48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
+48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogenic
+48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogenic
+48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogenic
+48413900,CC(C1OCC(O1)CO)I,carcinogenic
+48413902,C(I)(I)I,non-carcinogenic
+48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
+48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogenic
+48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogenic
+48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413910,CC(C)CON=O,carcinogenic
+48413912,CC(C)C=O,non-carcinogenic
+48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogenic
+48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogenic
+48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogenic
+48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
+48413917,C1=CN=CC=C1C(=O)N,non-carcinogenic
+48413918,C1=CN=CC=C1C(=O)O,non-carcinogenic
+48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogenic
+48413920,CC1=CC(=O)CC(C1)(C)C,carcinogenic
+48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
+48413922,CC(=C)C=C,carcinogenic
+48413923,CC(C)O,non-carcinogenic
+48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogenic
+48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
+48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogenic
+48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogenic
+48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogenic
+48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogenic
+48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogenic
+48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413935,C1=C(OC=C(C1=O)O)CO,carcinogenic
+48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogenic
+48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
+48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
+48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
+48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
+48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogenic
+48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogenic
+48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
+48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogenic
+48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogenic
+48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogenic
+48413951,CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O,carcinogenic
+48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogenic
+48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
+48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
+48413956,C1=CC(=O)NNC1=O,non-carcinogenic
+48413957,C(=C[O-])C=O.[Na+],carcinogenic
+48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
+48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
+48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
+48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
+48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogenic
+48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
+48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogenic
+48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
+48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
+48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogenic
+48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogenic
+48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogenic
+48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogenic
+48413980,CC(=C)C#N,non-carcinogenic
+48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogenic
+48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogenic
+48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogenic
+48413985,CN1C=CNC1=S,carcinogenic
+48413986,CSCCC(C(=O)O)N,non-carcinogenic
+48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogenic
+48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogenic
+48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogenic
+48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
+48413993,COC1=CC=C(C=C1)O,carcinogenic
+48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogenic
+48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogenic
+48413996,CCN=[N+](C)[O-],carcinogenic
+48413997,CBr,non-carcinogenic
+48413998,CC(C)(C)OC,carcinogenic
+48413999,COC(=O)N,carcinogenic
+48414000,COC(=O)NN,non-carcinogenic
+48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
+48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogenic
+48414006,CN(C=O)N,carcinogenic
+48414007,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O,non-carcinogenic
+48414010,CC(=C)C(=O)OC,non-carcinogenic
+48414011,COS(=O)(=O)C,carcinogenic
+48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
+48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogenic
+48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogenic
+48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogenic
+48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414022,CN1CCCC1=O,carcinogenic
+48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogenic
+48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogenic
+48414026,CC(C)CC=NN(C)C=O,carcinogenic
+48414027,CC1=CC(=C(C=C1)O)O,carcinogenic
+48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogenic
+48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogenic
+48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogenic
+48414034,C(Cl)Cl,carcinogenic
+48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
+48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogenic
+48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48414038,CCC(=NO)C,carcinogenic
+48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
+48414042,CNN,carcinogenic
+48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogenic
+48414045,CC1=NC=CN1,carcinogenic
+48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogenic
+48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogenic
+48414048,CN[N+](=O)[O-],carcinogenic
+48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogenic
+48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogenic
+48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogenic
+48414054,C=CC(=O)NCO,carcinogenic
+48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogenic
+48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogenic
+48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogenic
+48414058,CC1=CC=C(C=C1)C=C,non-carcinogenic
+48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogenic
+48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
+48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
+48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
+48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
+48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogenic
+48414069,O=[Mo](=O)=O,carcinogenic
+48414070,CC(=O)NN,carcinogenic
+48414071,C(C(=O)O)Cl,non-carcinogenic
+48414073,C[As](=O)(O)O,non-carcinogenic
+48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogenic
+48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
+48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogenic
+48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogenic
+48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogenic
+48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogenic
+48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
+48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogenic
+48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogenic
+48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
+48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
+48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogenic
+48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogenic
+48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
+48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogenic
+48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
+48414096,[Ni],non-carcinogenic
+48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogenic
+48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogenic
+48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
+48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogenic
+48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogenic
+48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogenic
+48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogenic
+48414104,C1=CC(=CN=C1)C(=O)NN,carcinogenic
+48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
+48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogenic
+48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
+48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogenic
+48414112,N(=O)[O-].[Na+],carcinogenic
+48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
+48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
+48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogenic
+48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
+48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
+48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
+48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
+48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
+48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
+48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
+48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogenic
+48414140,CC[N+](=O)[O-],non-carcinogenic
+48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogenic
+48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414148,C[N+](=O)[O-],carcinogenic
+48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
+48414151,CCC[N+](=O)[O-],non-carcinogenic
+48414152,CC(C)[N+](=O)[O-],non-carcinogenic
+48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
+48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogenic
+48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogenic
+48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogenic
+48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogenic
+48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogenic
+48414160,C1CN(C(=O)NC1=O)N=O,carcinogenic
+48414161,CC(CN(CC(CO)O)N=O)O,carcinogenic
+48414162,CC(=O)CN(CC(CO)O)N=O,carcinogenic
+48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogenic
+48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogenic
+48414168,CC(CN(CCO)N=O)O,carcinogenic
+48414171,CCCCCCCCCCCCN(C)N=O,carcinogenic
+48414174,CN(CCC1=CC=CC=C1)N=O,carcinogenic
+48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogenic
+48414176,CCCCCCCCCCN(C)N=O,carcinogenic
+48414177,CN(C(=O)N)N=O,carcinogenic
+48414178,C1COC(=O)N1N=O,carcinogenic
+48414179,CC(=O)CN(CCO)N=O,carcinogenic
+48414181,C1CN(CC=C1)N=O,carcinogenic
+48414182,CCN(CC(F)(F)F)N=O,carcinogenic
+48414184,CC1CN(CC(N1C)C)N=O,carcinogenic
+48414185,C=CCN(CC(CO)O)N=O,carcinogenic
+48414186,CC(CN(CC=C)N=O)O,carcinogenic
+48414187,CC(=O)CN(CC=C)N=O,carcinogenic
+48414188,C=CCN(CCO)N=O,carcinogenic
+48414189,CCCCCN(C(=O)OCC)N=O,carcinogenic
+48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogenic
+48414192,CC(CN(CC(C)O)N=O)O,carcinogenic
+48414193,CC(=O)CN(CC(=O)C)N=O,carcinogenic
+48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogenic
+48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogenic
+48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
+48414197,CCCCN(CCCC)N=O,carcinogenic
+48414198,C(CO)N(CCO)N=O,carcinogenic
+48414199,CCN(CC)N=O,carcinogenic
+48414200,CN(C)N=O,carcinogenic
+48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogenic
+48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
+48414203,CCCN(CCC)N=O,carcinogenic
+48414205,C1CCCCCCN(CCCCC1)N=O,carcinogenic
+48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogenic
+48414207,CCN(C)N=O,carcinogenic
+48414208,CCN(C(=O)OCC)N=O,carcinogenic
+48414210,C1CCCN(CCC1)N=O,carcinogenic
+48414211,C1CCCN(CC1)N=O,carcinogenic
+48414212,C1C(=O)NC(=O)N1N=O,carcinogenic
+48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogenic
+48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogenic
+48414216,CN(CC(CO)O)N=O,carcinogenic
+48414217,CN(CCO)N=O,carcinogenic
+48414218,CN(CCCO)N=O,carcinogenic
+48414219,CC(CN(C)N=O)O,carcinogenic
+48414220,CC(=O)CN(C)N=O,carcinogenic
+48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogenic
+48414225,CN(C1=CC=CC=C1)N=O,carcinogenic
+48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogenic
+48414227,CCCCCCCCCCCN(C)N=O,carcinogenic
+48414228,C1COCCN1N=O,carcinogenic
+48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogenic
+48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogenic
+48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogenic
+48414232,C1CN(CCN1)N=O,carcinogenic
+48414233,C1CCN(CC1)N=O,carcinogenic
+48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogenic
+48414235,C1CCN(C1)N=O,carcinogenic
+48414236,CC1N(C(SC(S1)C)C)N=O,carcinogenic
+48414237,C1CSCCN1N=O,carcinogenic
+48414238,CC1=CC=CC=C1N=O,carcinogenic
+48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414241,N#[N+][O-],non-carcinogenic
+48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogenic
+48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogenic
+48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
+48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
+48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
+48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
+48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogenic
+48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogenic
+48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogenic
+48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogenic
+48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,carcinogenic
+48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
+48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogenic
+48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogenic
+48414266,CC(=O)CN(C(=O)NCCCl)N=O,carcinogenic
+48414267,CC(=O)CN(C(=O)N)N=O,carcinogenic
+48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
+48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
+48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogenic
+48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogenic
+48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogenic
+48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogenic
+48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogenic
+48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
+48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
+48414287,CCCCC=NN(C)C=O,carcinogenic
+48414289,CCCCCNN.Cl,carcinogenic
+48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogenic
+48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
+48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogenic
+48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
+48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
+48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
+48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogenic
+48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
+48414301,C1=CC=C(C=C1)O,non-carcinogenic
+48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
+48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogenic
+48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
+48414306,C1=CC=C(C=C1)N=C=S,non-carcinogenic
+48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
+48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
+48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
+48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
+48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
+48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
+48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogenic
+48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
+48414315,C1=CC(=CC(=C1)N)N,non-carcinogenic
+48414316,C1=CC(=CC=C1N)N,non-carcinogenic
+48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
+48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
+48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
+48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
+48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogenic
+48414323,C1C(O1)COC2=CC=CC=C2,carcinogenic
+48414326,C1=CC=C(C=C1)NN.Cl,carcinogenic
+48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogenic
+48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogenic
+48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogenic
+48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogenic
+48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
+48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogenic
+48414336,P,non-carcinogenic
+48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
+48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
+48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
+48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogenic
+48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogenic
+48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogenic
+48414343,C1CNCCN1,non-carcinogenic
+48414344,C1CCNCC1,non-carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
+48414350,CC1(COC1=O)C,carcinogenic
+48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
+48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
+48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
+48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
+48414358,C(=O)(O)[O-].[K+],carcinogenic
+48414359,[Cl-].[K+],non-carcinogenic
+48414360,[K+].[I-],carcinogenic
+48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
+48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogenic
+48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
+48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogenic
+48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogenic
+48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogenic
+48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogenic
+48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogenic
+48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
+48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
+48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogenic
+48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogenic
+48414378,C1COS(=O)(=O)C1,carcinogenic
+48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogenic
+48414380,C1COC1=O,carcinogenic
+48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
+48414382,CCCCN(CC)C(=O)SCCC,non-carcinogenic
+48414383,CCCN(C=O)N,carcinogenic
+48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
+48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogenic
+48414387,CCCN(C(=O)N)N=O,carcinogenic
+48414388,CC=C,non-carcinogenic
+48414389,CC(CO)O,non-carcinogenic
+48414390,CC(COC(C)(C)C)O,carcinogenic
+48414391,CC1CO1,carcinogenic
+48414392,CCCNN.Cl,carcinogenic
+48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
+48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogenic
+48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
+48414400,C1=CC=NC=C1,carcinogenic
+48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogenic
+48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
+48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogenic
+48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogenic
+48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
+48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
+48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogenic
+48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
+48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogenic
+48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],carcinogenic
+48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogenic
+48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogenic
+48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
+48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
+48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
+48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
+48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogenic
+48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
+48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
+48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
+48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogenic
+48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogenic
+48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
+48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
+48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogenic
+48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogenic
+48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
+48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
+48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
+48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
+48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48414450,S=[Se],carcinogenic
+48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
+48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
+48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogenic
+48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
+48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogenic
+48414457,[Na+].[Cl-],non-carcinogenic
+48414458,[O-]Cl=O.[Na+],non-carcinogenic
+48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogenic
+48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
+48414461,[O-]Cl.[Na+],non-carcinogenic
+48414462,[O-]P(=O)=O.[Na+],non-carcinogenic
+48414463,CC=CC=CC(=O)O,non-carcinogenic
+48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
+48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
+48414467,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,non-carcinogenic
+48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogenic
+48414471,C=CC1=CC=CC=C1,carcinogenic
+48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
+48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
+48414474,C1CC(=O)OC1=O,non-carcinogenic
+48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogenic
+48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogenic
+48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogenic
+48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
+48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogenic
+48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogenic
+48414483,C1C=CCS1(=O)=O,non-carcinogenic
+48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogenic
+48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogenic
+48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogenic
+48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogenic
+48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
+48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogenic
+48414494,C(CS(=O)(=O)O)N,non-carcinogenic
+48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
+48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogenic
+48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
+48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
+48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
+48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
+48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48414506,C(C(Cl)(Cl)Cl)Cl,carcinogenic
+48414507,C(C(Cl)Cl)(Cl)Cl,carcinogenic
+48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
+48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogenic
+48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
+48414514,C(=C(F)F)(F)F,carcinogenic
+48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
+48414517,C1CCOC1,carcinogenic
+48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
+48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogenic
+48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogenic
+48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
+48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
+48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogenic
+48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
+48414529,CC(=S)N,carcinogenic
+48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
+48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogenic
+48414532,C(#N)[S-].[Na+],non-carcinogenic
+48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
+48414535,C(=S)(N)NN,non-carcinogenic
+48414536,C1=CNC(=S)NC1=O,carcinogenic
+48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
+48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
+48414541,O=[Ti]=O,non-carcinogenic
+48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogenic
+48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogenic
+48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogenic
+48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
+48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
+48414549,CC1=CC=CC=C1,carcinogenic
+48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
+48414553,CC1=CC=CC=C1N.Cl,carcinogenic
+48414554,CC1=CC=C(C=C1)N.Cl,carcinogenic
+48414556,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
+48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogenic
+48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogenic
+48414563,C(Br)(Br)Br,carcinogenic
+48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
+48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
+48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogenic
+48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogenic
+48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogenic
+48414570,C(C(Cl)Cl)Cl,carcinogenic
+48414571,CC(Cl)(Cl)Cl,non-carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
+48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
+48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
+48414580,C(C(CCl)Cl)Cl,carcinogenic
+48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
+48414582,C(CO)N(CCO)CCO,carcinogenic
+48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
+48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogenic
+48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogenic
+48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
+48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
+48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
+48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogenic
+48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogenic
+48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogenic
+48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
+48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
+48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
+48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
+48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogenic
+48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
+48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
+48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+48414615,CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.CC(C(=O)O)O,non-carcinogenic
+48414616,C1=CNC(=O)NC1=O,carcinogenic
+48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogenic
+48414618,C(=O)(N)N,non-carcinogenic
+48414619,CCOC(=O)N,carcinogenic
+48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
+48414621,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414623,CC(=O)OC=C,carcinogenic
+48414624,C=CBr,carcinogenic
+48414625,C=COC(=O)N,carcinogenic
+48414626,C=CCl,carcinogenic
+48414627,C=CF,carcinogenic
+48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
+48414630,C=C(Cl)Cl,carcinogenic
+48414631,C=C(F)F,non-carcinogenic
+48414632,C=CN1CCCC1=O,carcinogenic
+48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],carcinogenic
+48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
+48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
+48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
+48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
+48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogenic
+48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogenic
+48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogenic
+48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogenic
+48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414650,CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O,non-carcinogenic
+48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
+48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogenic
+48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogenic
+48414660,[B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N,non-carcinogenic
+48414662,CN(C)CCN(C)N=O,carcinogenic
+48414663,CC1CN(CC(O1)C)N=O,carcinogenic
+48414665,CCOC(=O)N(C)N=O,carcinogenic
+48414666,C1COCN1N=O,carcinogenic
+48414667,C1=CC=C(C=C1)CCN(C(=O)N)N=O,carcinogenic
+48414669,[B-](F)(F)(F)F.[Na+],non-carcinogenic
+48414670,CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)C,non-carcinogenic
+48414671,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,non-carcinogenic
+48414672,C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-],carcinogenic
diff --git a/data/parts/toxicity_data.xlsx b/data/parts/toxicity_data.xlsx
new file mode 100644 (file)
index 0000000..19432dd
Binary files /dev/null and b/data/parts/toxicity_data.xlsx differ
index fd42828..7cd85e0 100644 (file)
@@ -5,7 +5,7 @@ require 'mkmf'
 main_dir = File.expand_path(File.join(File.dirname(__FILE__),"..",".."))
 
 # check for required programs
-programs = ["R","Rscript","mongod","java","getconf","wget","unzip","xls2csv"]
+programs = ["R","Rscript","mongod","java","getconf","wget","unzip","xls2csv","xlsx2csv"]
 programs.each do |program|
   abort "Please install #{program} on your system." unless find_executable program
 end
index 8719dca..e1761bc 100644 (file)
@@ -65,9 +65,7 @@ module OpenTox
       include ClassificationStatistics
       field :accept_values, type: Array
       field :confusion_matrix, type: Hash
-      field :weighted_confusion_matrix, type: Hash
       field :accuracy, type: Hash
-      field :weighted_accuracy, type: Hash
       field :true_rate, type: Hash
       field :predictivity, type: Hash
       field :nr_predictions, type: Hash
index 5467167..f17d060 100644 (file)
@@ -249,11 +249,17 @@ module OpenTox
     # Download Daphnia dataset from http://www.michem.unimib.it/download/data/acute-aquatic-toxicity-to-daphnia-magna/ into the public folder
     # The original file requires an email request, this is a temporary workaround
     def self.daphnia
-      url = "https://raw.githubusercontent.com/opentox/lazar-public-data/master/regression/daphnia_magna_mmol_log10.csv"
+      #url = "https://raw.githubusercontent.com/opentox/lazar-public-data/master/regression/daphnia_magna_mmol_log10.csv"
+      src = File.join(DATA,"parts","toxicity_data.xlsx")
       name = "Acute_toxicity-Daphnia_magna"
       $logger.debug name
       File.open(File.join(DATA,name+".csv"),"w+") do |f|
-        f.puts RestClientWrapper.get(url).to_s
+        i = 0
+        CSV.parse(`xlsx2csv #{src}`) do |row|
+          i == 0 ? v = "-log[LC50_mmol/L]" : v = -Math.log10(10**-row[3].to_f*1000)
+          f.puts [row[0],row[1],v].join(",")
+          i += 1
+        end
       end
       meta = { "species": "Daphnia magna",
         "endpoint": "Acute toxicity",
@@ -289,7 +295,7 @@ module OpenTox
           :qmrf => {:group => "QMRF 4.12. Carcinogenicity", :name => "OECD 451 Carcinogenicity Studies"}
         }
       ].each do |assay|
-        Download.pubchem_classification aid: assay[:aid], species: assay[:species], endpoint: assay[:endpoint], active: "carcinogen", inactive: "non-carcinogen", qmrf: assay[:qmrf]
+        Download.pubchem_classification aid: assay[:aid], species: assay[:species], endpoint: assay[:endpoint], active: "carcinogenic", inactive: "non-carcinogenic", qmrf: assay[:qmrf]
       end
       Download.mutagenicity
       Download.blood_brain_barrier
index caf8a6e..08ca07e 100644 (file)
@@ -32,7 +32,7 @@ module OpenTox
       # @param [OpenTox::Feature, nil] prediction_feature
       #   By default the first feature of the training dataset will be predicted, specify a prediction_feature if you want to predict another feature
       # @param [Hash, nil] algorithms
-      #   Default algorithms will be used, if no algorithms parameter is provided. The algorithms hash has the following keys: :descriptors (specifies the descriptors to be used for similarity calculations and local QSAR models), :similarity (similarity algorithm and threshold), :feature_selection (feature selection algorithm), :prediction (local QSAR algorithm). Default parameters are used for unspecified keys. 
+      #   Default algorithms will be used, if no algorithms parameter is provided. The algorithms hash has the following keys: :descriptors (specifies the descriptors to be used for similarity calculations and local QSAR models), :similarity (similarity algorithm and thresholds for predictions with high and low confidence), :feature_selection (feature selection algorithm), :prediction (local QSAR algorithm). Default parameters are used for unspecified keys. 
       #
       # @return [OpenTox::Model::Lazar]
       def self.create prediction_feature:nil, training_dataset:, algorithms:{}
@@ -80,7 +80,7 @@ module OpenTox
             }
             model.algorithms[:similarity] = {
               :method => "Algorithm::Similarity.tanimoto",
-              :min => 0.5,
+              :min => [0.5,0.2],
             }
           elsif model.class == LazarRegression
             model.algorithms[:prediction] = {
@@ -88,7 +88,7 @@ module OpenTox
             }
             model.algorithms[:similarity] = {
               :method => "Algorithm::Similarity.tanimoto",
-              :min => 0.5,
+              :min => [0.5,0.2],
             }
           end
 
@@ -100,7 +100,7 @@ module OpenTox
             },
             :similarity => {
               :method => "Algorithm::Similarity.weighted_cosine",
-              :min => 0.5,
+              :min => [0.5,0.2],
             },
             :prediction => {
               :method => "Algorithm::Caret.rf",
@@ -197,7 +197,7 @@ module OpenTox
       # Predict a substance (compound or nanoparticle)
       # @param [OpenTox::Substance]
       # @return [Hash]
-      def predict_substance substance, threshold = self.algorithms[:similarity][:min], prediction = nil
+      def predict_substance substance, threshold = self.algorithms[:similarity][:min].first, prediction = nil
         
         @independent_variables = Marshal.load $gridfs.find_one(_id: self.independent_variables_id).data
         case algorithms[:similarity][:method]
@@ -228,7 +228,7 @@ module OpenTox
         end
         
         prediction ||= {:warnings => [], :measurements => []}
-        prediction[:warnings] << "Similarity threshold #{threshold} < #{algorithms[:similarity][:min]}, prediction may be out of applicability domain." if threshold < algorithms[:similarity][:min]
+        prediction[:warnings] << "Similarity threshold #{threshold} < #{algorithms[:similarity][:min].first}, prediction may be out of applicability domain." if threshold < algorithms[:similarity][:min].first
         neighbor_ids = []
         neighbor_similarities = []
         neighbor_dependent_variables = []
@@ -238,7 +238,7 @@ module OpenTox
         substance_ids.each_with_index do |s,i|
           # handle query substance
           if substance.id.to_s == s
-            prediction[:measurements] << dependent_variables[i] unless threshold < algorithms[:similarity][:min] # add measurements only once at first pass
+            prediction[:measurements] << dependent_variables[i] unless threshold < algorithms[:similarity][:min].first # add measurements only once at first pass
             prediction[:info] = "Substance '#{substance.name}, id:#{substance.id}' has been excluded from neighbors, because it is identical with the query substance."
           else
             if fingerprints?
@@ -264,11 +264,19 @@ module OpenTox
         
         if neighbor_similarities.empty?
           prediction[:value] = nil
-          prediction[:warnings] << "Could not find similar substances with experimental data in the training dataset."
+          prediction[:warnings] << "Could not find similar substances for threshold #{threshold} with experimental data in the training dataset."
+          if threshold == algorithms[:similarity][:min].last
+            prediction[:confidence] = "Out of applicability domain: Could not find similar substances with experimental data in the training dataset (Threshold: #{algorithms[:similarity][:min].last})."
+            return prediction
+          end
         elsif neighbor_similarities.size == 1
           prediction[:value] = nil
-          prediction[:warnings] << "Cannot create prediction: Only one similar compound in the training set."
+          prediction[:warnings] << "Cannot create prediction: Only one similar compound for threshold #{threshold} in the training set (Threshold: #{algorithms[:similarity][:min].last})."
           prediction[:neighbors] = [{:id => neighbor_ids.first, :similarity => neighbor_similarities.first}]
+          if threshold == algorithms[:similarity][:min].last
+            prediction[:confidence] = "Out of applicability domain: Only one similar compound in the training set."
+            return prediction
+          end
         else
           query_descriptors.collect!{|d| d ? 1 : 0} if algorithms[:feature_selection] and algorithms[:descriptors][:method] == "fingerprint"
           # call prediction algorithm
@@ -276,11 +284,17 @@ module OpenTox
           prediction.merge! result
           prediction[:neighbors] = neighbor_ids.collect_with_index{|id,i| {:id => id, :measurement => neighbor_dependent_variables[i], :similarity => neighbor_similarities[i]}}
         end
-        if prediction[:warnings].empty? or threshold < algorithms[:similarity][:min] or threshold <= 0.2
-          prediction
-        else # try again with a lower threshold
-          prediction[:warnings] << "Lowering similarity threshold to 0.2."
-          predict_substance substance, 0.2, prediction
+        if threshold == algorithms[:similarity][:min].first
+          if prediction[:warnings].empty? 
+            prediction[:confidence] = "High (close to bioassay results)"
+            return prediction
+          else # try again with a lower threshold
+            prediction[:warnings] << "Lowering similarity threshold to #{algorithms[:similarity][:min].last}."
+            predict_substance substance, algorithms[:similarity][:min].last, prediction
+          end
+        elsif threshold < algorithms[:similarity][:min].first
+          prediction[:confidence] = "Low (lower than bioassay results)"
+          return prediction
         end
       end
 
index f3e3af8..8a8970e 100644 (file)
@@ -7,79 +7,55 @@ module OpenTox
       # @return [Hash]
       def statistics 
         self.accept_values = model.prediction_feature.accept_values
-        self.confusion_matrix = {:all => Array.new(accept_values.size){Array.new(accept_values.size,0)}, :without_warnings => Array.new(accept_values.size){Array.new(accept_values.size,0)}}
-        self.weighted_confusion_matrix = {:all => Array.new(accept_values.size){Array.new(accept_values.size,0)}, :without_warnings => Array.new(accept_values.size){Array.new(accept_values.size,0)}}
-        self.nr_predictions = {:all => 0,:without_warnings => 0}
+        self.confusion_matrix = {:all => Array.new(accept_values.size){Array.new(accept_values.size,0)}, :confidence_high => Array.new(accept_values.size){Array.new(accept_values.size,0)}, :confidence_low => Array.new(accept_values.size){Array.new(accept_values.size,0)}}
+        self.nr_predictions = {:all => 0,:confidence_high => 0,:confidence_low => 0}
         predictions.each do |cid,pred|
-          # TODO
-          # use predictions without probabilities (single neighbor)??
-          # use measured majority class??
+          # TODO: use measured majority class or all measurements??
           if pred[:measurements].uniq.size == 1 and pred[:probabilities]
             m = pred[:measurements].first
             if pred[:value] == m
-              if pred[:value] == accept_values[0]
-                confusion_matrix[:all][0][0] += 1
-                weighted_confusion_matrix[:all][0][0] += pred[:probabilities][pred[:value]]
-                self.nr_predictions[:all] += 1
-                if pred[:warnings].empty?
-                  confusion_matrix[:without_warnings][0][0] += 1
-                  weighted_confusion_matrix[:without_warnings][0][0] += pred[:probabilities][pred[:value]]
-                  self.nr_predictions[:without_warnings] += 1
-                end
-              elsif pred[:value] == accept_values[1]
-                confusion_matrix[:all][1][1] += 1
-                weighted_confusion_matrix[:all][1][1] += pred[:probabilities][pred[:value]]
-                self.nr_predictions[:all] += 1
-                if pred[:warnings].empty?
-                  confusion_matrix[:without_warnings][1][1] += 1
-                  weighted_confusion_matrix[:without_warnings][1][1] += pred[:probabilities][pred[:value]]
-                  self.nr_predictions[:without_warnings] += 1
+              accept_values.each_with_index do |v,i|
+                if pred[:value] == v
+                  confusion_matrix[:all][i][i] += 1
+                  self.nr_predictions[:all] += 1
+                  if pred[:confidence].match(/High/i)
+                    confusion_matrix[:confidence_high][i][i] += 1
+                    self.nr_predictions[:confidence_high] += 1
+                  elsif pred[:confidence].match(/Low/i)
+                    confusion_matrix[:confidence_low][i][i] += 1
+                    self.nr_predictions[:confidence_low] += 1
+                  end
                 end
               end
             elsif pred[:value] != m
-              if pred[:value] == accept_values[0]
-                confusion_matrix[:all][0][1] += 1
-                weighted_confusion_matrix[:all][0][1] += pred[:probabilities][pred[:value]]
-                self.nr_predictions[:all] += 1
-                if pred[:warnings].empty?
-                  confusion_matrix[:without_warnings][0][1] += 1
-                  weighted_confusion_matrix[:without_warnings][0][1] += pred[:probabilities][pred[:value]]
-                  self.nr_predictions[:without_warnings] += 1
-                end
-              elsif pred[:value] == accept_values[1]
-                confusion_matrix[:all][1][0] += 1
-                weighted_confusion_matrix[:all][1][0] += pred[:probabilities][pred[:value]]
-                self.nr_predictions[:all] += 1
-                if pred[:warnings].empty?
-                  confusion_matrix[:without_warnings][1][0] += 1
-                  weighted_confusion_matrix[:without_warnings][1][0] += pred[:probabilities][pred[:value]]
-                  self.nr_predictions[:without_warnings] += 1
+              accept_values.each_with_index do |v,i|
+                if pred[:value] == v
+                  confusion_matrix[:all][i][(i+1)%2] += 1
+                  self.nr_predictions[:all] += 1
+                  if pred[:confidence].match(/High/i)
+                    confusion_matrix[:confidence_high][i][(i+1)%2] += 1
+                    self.nr_predictions[:confidence_high] += 1
+                  elsif pred[:confidence].match(/Low/i)
+                    confusion_matrix[:confidence_low][i][(i+1)%2] += 1
+                    self.nr_predictions[:confidence_low] += 1
+                  end
                 end
               end
             end
           end
         end
-        self.true_rate = {:all => {}, :without_warnings => {}}
-        self.predictivity = {:all => {}, :without_warnings => {}}
+
+        self.true_rate = {:all => {}, :confidence_high => {}, :confidence_low => {}}
+        self.predictivity = {:all => {}, :confidence_high => {}, :confidence_low => {}}
         accept_values.each_with_index do |v,i|
-          [:all,:without_warnings].each do |a|
+          [:all,:confidence_high,:confidence_low].each do |a|
             self.true_rate[a][v] = confusion_matrix[a][i][i]/confusion_matrix[a][i].reduce(:+).to_f
             self.predictivity[a][v] = confusion_matrix[a][i][i]/confusion_matrix[a].collect{|n| n[i]}.reduce(:+).to_f
           end
         end
-        confidence_sum = {:all => 0, :without_warnings => 0}
-        [:all,:without_warnings].each do |a|
-          weighted_confusion_matrix[a].each do |r|
-            r.each do |c|
-              confidence_sum[a] += c
-            end
-          end
-        end
         self.accuracy = {}
-        self.weighted_accuracy = {}
-        [:all,:without_warnings].each do |a|
+        [:all,:confidence_high,:confidence_low].each do |a|
           self.accuracy[a] = (confusion_matrix[a][0][0]+confusion_matrix[a][1][1])/nr_predictions[a].to_f
-          self.weighted_accuracy[a] = (weighted_confusion_matrix[a][0][0]+weighted_confusion_matrix[a][1][1])/confidence_sum[a].to_f
         end
         $logger.debug "Accuracy #{accuracy}"
         $logger.debug "Nr Predictions #{nr_predictions}"
@@ -87,9 +63,7 @@ module OpenTox
         {
           :accept_values => accept_values,
           :confusion_matrix => confusion_matrix,
-          :weighted_confusion_matrix => weighted_confusion_matrix,
           :accuracy => accuracy,
-          :weighted_accuracy => weighted_accuracy,
           :true_rate => self.true_rate,
           :predictivity => self.predictivity,
           :nr_predictions => nr_predictions,
@@ -138,47 +112,27 @@ module OpenTox
     # Statistical evaluation of regression validations
     module RegressionStatistics
 
+      attr_accessor :x, :y
+
       # Get statistics
       # @return [Hash]
       def statistics
         self.warnings = []
-        self.rmse = {:all =>0,:without_warnings => 0}
-        self.r_squared  = {:all =>0,:without_warnings => 0}
-        self.mae = {:all =>0,:without_warnings => 0}
-        self.within_prediction_interval = {:all =>0,:without_warnings => 0}
-        self.out_of_prediction_interval = {:all =>0,:without_warnings => 0}
-        x = {:all => [],:without_warnings => []}
-        y = {:all => [],:without_warnings => []}
-        self.nr_predictions = {:all =>0,:without_warnings => 0}
+        self.rmse = {:all =>0,:confidence_high => 0,:confidence_low => 0}
+        self.r_squared  = {:all =>0,:confidence_high => 0,:confidence_low => 0}
+        self.mae = {:all =>0,:confidence_high => 0,:confidence_low => 0}
+        self.within_prediction_interval = {:all =>0,:confidence_high => 0,:confidence_low => 0}
+        self.out_of_prediction_interval = {:all =>0,:confidence_high => 0,:confidence_low => 0}
+        @x = {:all => [],:confidence_high => [],:confidence_low => []}
+        @y = {:all => [],:confidence_high => [],:confidence_low => []}
+        self.nr_predictions = {:all =>0,:confidence_high => 0,:confidence_low => 0}
         predictions.each do |cid,pred|
           !if pred[:value] and pred[:measurements] and !pred[:measurements].empty?
-            self.nr_predictions[:all] +=1
-            x[:all] << pred[:measurements].median
-            y[:all] << pred[:value]
-            error = pred[:value]-pred[:measurements].median
-            self.rmse[:all] += error**2
-            self.mae[:all] += error.abs
-            if pred[:prediction_interval]
-              if pred[:measurements].median >= pred[:prediction_interval][0] and pred[:measurements].median <= pred[:prediction_interval][1]
-                self.within_prediction_interval[:all] += 1
-              else
-                self.out_of_prediction_interval[:all] += 1
-              end
-            end
-            if pred[:warnings].empty?
-              self.nr_predictions[:without_warnings] +=1
-              x[:without_warnings] << pred[:measurements].median
-              y[:without_warnings] << pred[:value]
-              error = pred[:value]-pred[:measurements].median
-              self.rmse[:without_warnings] += error**2
-              self.mae[:without_warnings] += error.abs
-              if pred[:prediction_interval]
-                if pred[:measurements].median >= pred[:prediction_interval][0] and pred[:measurements].median <= pred[:prediction_interval][1]
-                  self.within_prediction_interval[:without_warnings] += 1
-                else
-                  self.out_of_prediction_interval[:without_warnings] += 1
-                end
-              end
+            insert_prediction pred, :all
+            if pred[:confidence].match(/High/i)
+              insert_prediction pred, :confidence_high
+            elsif pred[:confidence].match(/Low/i)
+              insert_prediction pred, :confidence_low
             end
           else
             trd_id = model.training_dataset_id
@@ -187,10 +141,10 @@ module OpenTox
             $logger.debug "No training activities for #{smiles} in training dataset #{trd_id}."
           end
         end
-        [:all,:without_warnings].each do |a|
-          if x[a].size > 2
-            R.assign "measurement", x[a]
-            R.assign "prediction", y[a]
+        [:all,:confidence_high,:confidence_low].each do |a|
+          if @x[a].size > 2
+            R.assign "measurement", @x[a]
+            R.assign "prediction", @y[a]
             R.eval "r <- cor(measurement,prediction,use='pairwise')"
             self.r_squared[a] = R.eval("r").to_ruby**2
           else
@@ -209,7 +163,6 @@ module OpenTox
         $logger.debug "MAE #{mae}"
         $logger.debug "Nr predictions #{nr_predictions}"
         $logger.debug "#{within_prediction_interval} measurements within prediction interval"
-        $logger.debug "#{warnings}"
         save
         {
           :mae => mae,
@@ -270,6 +223,24 @@ module OpenTox
         end
         worst_predictions.sort_by{|sid,p| p["distance_prediction_interval"] }.to_h
       end
+
+      private
+
+      def insert_prediction prediction, type
+        self.nr_predictions[type] +=1
+        @x[type] << prediction[:measurements].median
+        @y[type] << prediction[:value]
+        error = prediction[:value]-prediction[:measurements].median
+        self.rmse[type] += error**2
+        self.mae[type] += error.abs
+        if prediction[:prediction_interval]
+          if prediction[:measurements].median >= prediction[:prediction_interval][0] and prediction[:measurements].median <= prediction[:prediction_interval][1]
+            self.within_prediction_interval[type] += 1
+          else
+            self.out_of_prediction_interval[type] += 1
+          end
+        end
+      end
     end
   end
 end
index 1a3d4a8..8cbd4bb 100644 (file)
@@ -10,7 +10,7 @@ class ClassificationModelTest < MiniTest::Test
       },
       :similarity => {
         :method => "Algorithm::Similarity.tanimoto",
-        :min => 0.5
+        :min => [0.5,0.2]
       },
       :prediction => {
         :method => "Algorithm::Classification.weighted_majority_vote",
@@ -61,7 +61,7 @@ class ClassificationModelTest < MiniTest::Test
         :type => "MACCS"
       },
       :similarity => {
-        :min => 0.4
+        :min => [0.4,0.1]
       },
     }
     training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv")
@@ -77,7 +77,7 @@ class ClassificationModelTest < MiniTest::Test
   end
 
   def test_dataset_prediction
-    training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"multi_cell_call.csv")
+    training_dataset = Dataset.from_csv_file File.join(Download::DATA,"Carcinogenicity-Rodents.csv")
     test_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv")
     model = Model::Lazar.create training_dataset: training_dataset
     result = model.predict test_dataset
@@ -85,16 +85,16 @@ class ClassificationModelTest < MiniTest::Test
     assert_equal 7, result.features.size
     assert_equal 85, result.compounds.size
     prediction_feature = result.prediction_features.first
-    assert_equal ["yes"], result.values(result.compounds[1], prediction_feature)
-    assert_equal ["no"], result.values(result.compounds[5], prediction_feature)
+    assert_equal ["carcinogenic"], result.values(result.compounds[1], prediction_feature)
+    assert_equal ["non-carcinogenic"], result.values(result.compounds[5], prediction_feature)
     assert_nil result.predictions[result.compounds.first][:value]
-    assert_equal "yes", result.predictions[result.compounds[1]][:value]
+    assert_equal "carcinogenic", result.predictions[result.compounds[1]][:value]
     assert_equal 0.27, result.predictions[result.compounds[1]][:probabilities]["no"].round(2)
   end
 
   def test_carcinogenicity_rf_classification
     skip "Caret rf may run into a (endless?) loop for some compounds."
-    dataset = Dataset.from_csv_file "#{DATA_DIR}/multi_cell_call.csv"
+    dataset = Dataset.from_csv_file File.join(Download::DATA,"Carcinogenicity-Rodents.csv")
     algorithms = {
       :prediction => {
         :method => "Algorithm::Caret.rf",
index 302b2c8..33f0353 100644 (file)
@@ -6,12 +6,10 @@ class ClassificationValidationTest < MiniTest::Test
   # defaults
 
   def test_default_classification_crossvalidation
-    #dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv"
-    dataset = Dataset.from_csv_file "#{DATA_DIR}/multi_cell_call.csv"
+    dataset = Dataset.from_csv_file File.join(Download::DATA,"Carcinogenicity-Rodents.csv")
     model = Model::Lazar.create training_dataset: dataset
     cv = ClassificationCrossValidation.create model
-    assert cv.accuracy[:without_warnings] > 0.65, "Accuracy (#{cv.accuracy[:without_warnings]}) should be larger than 0.65, this may occur due to an unfavorable training/test set split"
-    assert cv.weighted_accuracy[:all] > cv.accuracy[:all], "Weighted accuracy (#{cv.weighted_accuracy[:all]}) should be larger than accuracy (#{cv.accuracy[:all]})."
+    assert cv.accuracy[:all] > 0.65, "Accuracy (#{cv.accuracy[:all]}) should be larger than 0.65, this may occur due to an unfavorable training/test set split"
     File.open("/tmp/tmp.pdf","w+"){|f| f.puts cv.probability_plot(format:"pdf")}
     assert_match "PDF", `file -b /tmp/tmp.pdf`
     File.open("/tmp/tmp.png","w+"){|f| f.puts cv.probability_plot(format:"png")}
@@ -23,13 +21,14 @@ class ClassificationValidationTest < MiniTest::Test
   def test_classification_crossvalidation_parameters
     dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv"
     algorithms = {
-      :similarity => { :min => 0.3, },
+      :similarity => { :min => [0.9,0.8] },
       :descriptors => { :type => "FP3" }
     }
     model = Model::Lazar.create training_dataset: dataset, algorithms: algorithms
     cv = ClassificationCrossValidation.create model
     params = model.algorithms
     params = JSON.parse(params.to_json) # convert symbols to string
+    p cv
     
     cv.validations.each do |validation|
       validation_params = validation.model.algorithms
@@ -47,8 +46,7 @@ class ClassificationValidationTest < MiniTest::Test
     model = Model::Lazar.create training_dataset: dataset
     loo = ClassificationLeaveOneOut.create model
     refute_empty loo.confusion_matrix
-    assert loo.accuracy[:without_warnings] > 0.650
-    assert loo.weighted_accuracy[:all] > loo.accuracy[:all], "Weighted accuracy (#{loo.weighted_accuracy[:all]}) should be larger than accuracy (#{loo.accuracy[:all]})."
+    assert loo.accuracy[:all] > 0.650
   end
 
   # repeated CV
@@ -58,7 +56,7 @@ class ClassificationValidationTest < MiniTest::Test
     model = Model::Lazar.create training_dataset: dataset
     repeated_cv = RepeatedCrossValidation.create model
     repeated_cv.crossvalidations.each do |cv|
-      assert_operator cv.accuracy[:without_warnings], :>, 0.65, "model accuracy < 0.65, this may happen by chance due to an unfavorable training/test set split"
+      assert_operator cv.accuracy[:all], :>, 0.65, "model accuracy < 0.65, this may happen by chance due to an unfavorable training/test set split"
     end
   end
   
@@ -71,7 +69,7 @@ class ClassificationValidationTest < MiniTest::Test
     assert m.classification?
     refute m.regression?
     m.crossvalidations.each do |cv|
-      assert cv.accuracy[:without_warnings] > 0.65, "Crossvalidation accuracy (#{cv.accuracy[:without_warnings]}) should be larger than 0.65. This may happen due to an unfavorable training/test set split."
+      assert cv.accuracy[:all] > 0.65, "Crossvalidation accuracy (#{cv.accuracy[:all]}) should be larger than 0.65. This may happen due to an unfavorable training/test set split."
     end
     prediction = m.predict Compound.from_smiles("OCC(CN(CC(O)C)N=O)O")
     assert_equal "false", prediction[:value]
@@ -80,7 +78,7 @@ class ClassificationValidationTest < MiniTest::Test
 
   def test_carcinogenicity_rf_classification
     skip "Caret rf classification may run into a (endless?) loop for some compounds."
-    dataset = Dataset.from_csv_file "#{DATA_DIR}/multi_cell_call.csv"
+    dataset = Dataset.from_csv_file File.join(Download::DATA,"Carcinogenicity-Rodents.csv")
     algorithms = {
       :prediction => {
         :method => "Algorithm::Caret.rf",
@@ -98,9 +96,9 @@ class ClassificationValidationTest < MiniTest::Test
     skip "Caret rf classification may run into a (endless?) loop for some compounds."
     source_feature = Feature.where(:name => "Ames test categorisation").first
     target_feature = Feature.where(:name => "Mutagenicity").first
-    kazius = Dataset.from_sdf_file "#{DATA_DIR}/cas_4337.sdf"
-    hansen = Dataset.from_csv_file "#{DATA_DIR}/hansen.csv"
-    efsa = Dataset.from_csv_file "#{DATA_DIR}/efsa.csv"
+    kazius = Dataset.from_sdf_file "#{Download::DATA}/parts/cas_4337.sdf"
+    hansen = Dataset.from_csv_file "#{Download::DATA}/parts/hansen.csv"
+    efsa = Dataset.from_csv_file "#{Download::DATA}/parts/efsa.csv"
     dataset = Dataset.merge [kazius,hansen,efsa], {source_feature => target_feature}, {1 => "mutagen", 0 => "nonmutagen"}
     model = Model::Lazar.create training_dataset: dataset
     repeated_cv = RepeatedCrossValidation.create model
diff --git a/test/data/EPAFHM.csv b/test/data/EPAFHM.csv
deleted file mode 100644 (file)
index 9092abc..0000000
+++ /dev/null
@@ -1,618 +0,0 @@
-"STRUCTURE_SMILES","LC50_mmol"
-"C1=CC(C=O)=CC(OC)=C1OCCCCCC",1.13E-02
-"C1(OC)=C([N+]([O-])=O)C(C=O)=CC(Br)=C1O",2.66E-01
-"CCCCCCCCOC(=O)C1=CC=CC(C(=O)OCCCCCCCC)=C1",
-"C1=CC(Cl)=CC=C1OC2=C([N+](=O)[O-])C=CC=C2",7.69E-03
-"CC1=C(NC=O)C=CC=C1Cl",2.75E-01
-"CCCCOC(=O)C1=CC=CC(C(=O)OCCCC)=C1",3.23E-03
-"C(C1=CC=CC=C1)(C2=CC=CC=C2)(O)C#C",5.33E-02
-"CCCSCCSCCC",4.22E-02
-"CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1",
-"OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO",
-"CCCSCCCCSCCC",1.45E-02
-"C1([N+](=O)[O-])=CC=C(C)C=C1OP(=O)(OC2=C([N+](=O)[O-])C=CC(C)=C2)OC3=C([N+]([O-])=O)C=CC(C)=C3",
-"C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3",
-"ClCCOC(=O)NC1CCCCC1",1.70E-01
-"O=C1C(C2=CC=CC=C2)(C(=O)NC(=O)N1)CC",2.08E+00
-"OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]",5.92E-02
-"NC(=O)OCC",5.88E+01
-"[O-]C(C1=CC=CC=C1O)=O.[Na+]",1.25E+01
-"C1=CC=CC=C1C(=O)N",5.46E+00
-"CC[N+](CC)(CC)CC1(=CC=CC=C1).[Cl-]",7.07E-01
-"CN(C)N",1.31E-01
-"CC(C(C(NC([O-])=N1)=O)(C1=O)CC)CCC.[Na+]",1.99E-01
-"N1C(=O)C(CC)(CCC(C)C)C(=O)NC1=O",3.77E-01
-"O=C1C2=C(N=CN2C)N(C(=O)N1C)C",7.78E-01
-"C1=CC=C2C(=C1)C(=O)C(C)=CC2=O",6.39E-04
-"OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl",4.44E-03
-"OC1=CC(C)=C(Cl)C=C1",3.84E-02
-"[H]Cl.C1=CC=CC=C1CC2=NCCN2",1.80E+00
-"O=S(O)(O)=O.C1(=CC=CC=C1CC(N)C).C2=CC=CC=C2CC(N)C",7.82E-02
-"O(CC)CC",3.45E+01
-"O=C2N5[C@@]3([H])[C@@]1([H])[C@](C[C@]4([H])N(C7)CC[C@]34C6=C5C=CC=C6)([H])C7=CCO[C@]([H])1C2.O=C9N%12[C@@]%10([H])[C@@]8([H])[C@](C[C@]%11([H])N(C%14)CC[C@]%10%11C%13=C%12C=CC=C%13)([H])C%14=CCO[C@]([H])8C9.O=S(O)(O)=O",1.11E-03
-"NC1=CC=CC=C1",1.13E+00
-"O=C(OC1=C2C(=CC=C1)C=CC=C2)NC",4.35E-02
-"CCO",3.19E+02
-"C1(=NC=CC=C1C2CCCN2C).OS(O)(=O)=O",5.30E-02
-"C1(O)=CC=CC=C1C(=O)N",7.36E-01
-"O=C1NC(=O)NC=C1",
-"CCCCCC=O",1.75E-01
-"O=C1OC2=CC=CC=C2C(O)=C1CC3=C(O)C4=CC=CC=C4OC3=O",1.52E-02
-"C1(C=O)=CC=C(OC2=CC=CC=C2)C=C1",2.32E-02
-"CO",9.17E+02
-"OC(C)C",1.44E+02
-"CC(=O)C",1.23E+02
-"ClC(Cl)Cl",5.92E-01
-"CS(=O)C",4.35E+02
-"ClC(C(Cl)(Cl)Cl)(Cl)Cl",6.00E-03
-"OC1=C(C=C(C(=C1CC2=C(C(=CC(=C2Cl)Cl)Cl)O)Cl)Cl)Cl",5.16E-05
-"C1=CC(=CC=C1N)C(=O)CC",9.79E-01
-"OCCC",7.57E+01
-"CCCCO",2.33E+01
-"CCCCCO",5.36E+00
-"C1=CC=CC=C1",2.25E-01
-"CC(Cl)(Cl)Cl",3.55E-01
-"[S-]C1=NC(C(C(C)CCC)(CC)C(N1)=O)=O.[Na+]",9.91E-02
-"CC#N",4.01E+01
-"CC=O",7.67E-01
-"ClCCl",3.89E+00
-"IC(I)I",7.42E-03
-"[N+](C)(C)(C)C.[Cl-]",4.22E+00
-"CC(C)(C)O",8.65E+01
-"C(F)(F)(F)CO",1.19E+00
-"CC(=O)C(C)(C)C",8.69E-01
-"ClC(C(Cl)Cl)(Cl)Cl",3.72E-02
-"CC1(C)NC(=O)NC1=O",1.29E+02
-"CCC(O)(C)CC",6.58E+00
-"C#CC(O)(C)CC",1.24E+01
-"C1CCCC(C#C)(O)C1",2.06E+00
-"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC",2.81E-02
-"OCC(C)C",1.93E+01
-"CC(Cl)CCl",1.12E+00
-"NCC(N)C",1.36E+01
-"CC(O)CC",4.95E+01
-"CCC(=O)C",4.47E+01
-"OC(C)CN",3.36E+01
-"ClC(CCl)Cl",6.12E-01
-"ClC(=CCl)Cl",3.36E-01
-"CC(=O)OC",4.82E+00
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diff --git a/test/data/EPAFHM.medi.csv b/test/data/EPAFHM.medi.csv
deleted file mode 100644 (file)
index 9f8205a..0000000
+++ /dev/null
@@ -1,100 +0,0 @@
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diff --git a/test/data/EPAFHM.mini.csv b/test/data/EPAFHM.mini.csv
deleted file mode 100644 (file)
index a0de32f..0000000
+++ /dev/null
@@ -1,22 +0,0 @@
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diff --git a/test/data/EPAFHM_log10.csv b/test/data/EPAFHM_log10.csv
deleted file mode 100644 (file)
index 9294f24..0000000
+++ /dev/null
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-[Na+].[N-]=[N+]=[N-],1.0757207139381184
-C[N+](C1=CC=CC=C1)(C)C.[O-]S(=O)(=O)OC,-0.0
-CC(C)(O)C(F)(C(F)F)F,-0.5611013836490559
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diff --git a/test/data/LOAEL_mmol_corrected_smiles.csv b/test/data/LOAEL_mmol_corrected_smiles.csv
deleted file mode 100644 (file)
index c6d858b..0000000
+++ /dev/null
@@ -1,568 +0,0 @@
-SMILES,LOAEL mmol/kg_bw/day
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diff --git a/test/data/batch_prediction.csv b/test/data/batch_prediction.csv
deleted file mode 100644 (file)
index c9c45e1..0000000
+++ /dev/null
@@ -1,25 +0,0 @@
-SMILES, batch
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diff --git a/test/data/cas_4337.sdf b/test/data/cas_4337.sdf
deleted file mode 100644 (file)
index 997ccc6..0000000
+++ /dev/null
@@ -1,306261 +0,0 @@
-1728-95-6\r
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
-\r
- 43 46                          1 V2000\r
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