path: root/data/Carcinogenicity-Rat.csv

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