diff options
| author | Christoph Helma <helma@in-silico.ch> | 2020-10-13 11:25:51 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2020-10-13 11:25:51 +0200 |
| commit | 59509099257225b068a13626d3a42eac2f4244ab (patch) | |
| tree | fd1ad3fbbaa96d5926e1bc2ef8a15146f7660b56 /models/mutagenicity/parts/hansen.csv | |
| parent | 791398c12af4f8290095425dac87e3c852905ab6 (diff) | |
mutagenicity downloads moved, PaDEL metadata
Diffstat (limited to 'models/mutagenicity/parts/hansen.csv')
| -rw-r--r-- | models/mutagenicity/parts/hansen.csv | 6513 |
1 files changed, 0 insertions, 6513 deletions
diff --git a/models/mutagenicity/parts/hansen.csv b/models/mutagenicity/parts/hansen.csv deleted file mode 100644 index 7a80d06..0000000 --- a/models/mutagenicity/parts/hansen.csv +++ /dev/null @@ -1,6513 +0,0 @@ -ID,SMILES,Mutagenicity -2475-33-4,O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5c6C(=O)c7ccccc7C(=O)c6c8[nH]c9c%10C(=O)c%11ccccc%11C(=O)c%10ccc9c8c45,non-mutagenic -820-75-7,NNC(=O)CNC(=O)\C=N\#N,mutagenic -2435-76-9,O=C1NC(=O)\C(=N/#N)\C=N1,mutagenic -817-99-2,NC(=O)CNC(=O)\C=N\#N,mutagenic -116539-70-9,CCCCN(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O,mutagenic -115-02-6,NC(COC(=O)\C=N/#N)C(=O)O,mutagenic -122341-55-3,CCN(CC(O)C1=CC(=O)\C(=N\#N)\C=C1)N=O,mutagenic -105149-00-6,CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC12C)C(=O)C,non-mutagenic -108-78-1,Nc1nc(N)nc(N)n1,non-mutagenic -2425-85-6,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)[N+](=O)[O-],mutagenic -67019-24-3,CC(C)CC(=O)Nc1snc2ccccc12,non-mutagenic -83-41-0,Cc1cccc(c1C)[N+](=O)[O-],mutagenic -3836-23-5,CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,non-mutagenic -108-03-2,CCC[N+](=O)[O-],non-mutagenic -70585-52-3,OC(=O)c1cc(cc2cccnc12)[N+](=O)[O-],mutagenic -87425-68-1,OC1C=Cc2c(ccc3c(Br)c4ccccc4cc23)C1O,mutagenic -24370-25-0,NC(=O)Nc1nc2ccccc2[nH]1,mutagenic -NOCAS_M453,C[C@@H](O)CCC(=O)c1cocc1,non-mutagenic -4106-66-5,Nc1ccc2c(oc3ccccc23)c1,mutagenic -1576-67-6,Cc1ccc2ccc3ccc(C)cc3c2c1,mutagenic -146177-65-3,Cc1cc2c(nc(N)n2C)c3ncc(nc13)c4ccccc4,mutagenic -112380-29-7,CCN(N=O)\C(=N\O)\C=O,mutagenic -484-23-1,NNc1nnc(NN)c2ccccc12,mutagenic -110-26-9,C=CC(=O)NCNC(=O)C=C,mutagenic -88020-91-1,OCc1cc2c3ccccc3c4cccc(c1)c24,non-mutagenic -28652-72-4,Cc1ccccc1c2ccccc2,non-mutagenic -67278-88-0,CC1C2C3C(C)C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C35C1C(=O)C68C(=O)c9c(O)cc(C)cc9C(=O)C248,non-mutagenic -542-02-9,Cc1nc(N)nc(N)n1,non-mutagenic -1007-28-9,CCNc1nc(N)nc(Cl)n1,non-mutagenic -64188-65-4,C1CCC(CC1)N2C3C2c4ccccc4c5ccccc35,mutagenic -122-56-5,CCCCB(CCCC)CCCC,mutagenic -111348-61-9,CC(=O)NC(CSC(=C(Cl)Cl)Cl)C(=O)O,mutagenic -29350-73-0,CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12,mutagenic -63980-20-1,CCNN=NCC,mutagenic -554-84-7,Oc1cccc(c1)[N+](=O)[O-],mutagenic -13177-32-7,[O-][N+](=O)c1ccc2c(c1)c3cccc4cccc2c34,mutagenic -98-00-0,OCc1occc1,non-mutagenic -NOCAS_M204,C(Cc1ccc(cc1)c2ccccc2)[C@H]3CO3,mutagenic -37515-51-8,Oc1cc2c3ccccc3ccc2c4ccccc14,mutagenic -842-07-9,Oc1ccc2ccccc2c1N=Nc3ccccc3,mutagenic -NOCAS_M566,N[C@@H]1CC[C@@H](C[C@@H]2CC[C@@H](N)CC2)CC1,non-mutagenic -2213-00-5,COC(=O)C12CC1(C=O)C(=CC3CC(C)(C)CC23)C=O,mutagenic -535-11-5,CCOC(=O)C(C)Br,mutagenic -21362-69-6,COC1(CCCC1)OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C,non-mutagenic -92280-01-8,CCN(CCCl)CCCNc1c2CCCCc2nc3ccccc13,mutagenic -145763-35-5,C\C(=C/C(=C/C1=CCOC1=O)/C)\C=C\C=C(/C)\C(=O)C23OC2C(O)(CCO)NC3=O,mutagenic -944-22-9,CCO[P@](=S)(CC)Sc1ccccc1,non-mutagenic -5131-58-8,Nc1ccc(c(N)c1)[N+](=O)[O-],mutagenic -919-86-8,CCSCCSP(=O)(OC)OC,non-mutagenic -118-90-1,Cc1ccccc1C(=O)O,non-mutagenic -26002-80-2,CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,mutagenic -108-86-1,Brc1ccccc1,non-mutagenic -88-53-9,Cc1cc(N)c(cc1Cl)S(=O)(=O)O,non-mutagenic -6088-51-3,Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,non-mutagenic -112022-06-7,CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic -60877-79-4,Nc1snc2c(Cl)cc(Cl)cc12,mutagenic -154159-06-5,ClCC1(C(Cl)Cl)C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl,non-mutagenic -602-06-2,Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)c4c(O)cc(O)c5C(=O)c6c(O)cc(C)cc6C(=O)c45,non-mutagenic -107-30-2,COCCl,non-mutagenic -59-89-2,O=NN1CCOCC1,mutagenic -2479-46-1,Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1,mutagenic -101-54-2,Nc1ccc(Nc2ccccc2)cc1,non-mutagenic -2849-98-1,CCCCCOC(=O)C(=C)C,non-mutagenic -65-85-0,OC(=O)c1ccccc1,non-mutagenic -5134-49-6,Nc1ncnc2c1ncn2Cc3ccc(cc3)[N+](=O)[O-],mutagenic -203-64-5,C1c2cccc3ccc4cccc1c4c23,mutagenic -321-60-8,Fc1ccccc1c2ccccc2,non-mutagenic -11097-69-1,Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl,non-mutagenic -58775-50-1,CC(=CCc1ccc(O)c2C(=O)c3c(O)c4c(OC5OC=CC45O)cc3Oc12)C,mutagenic -1222-05-5,CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,non-mutagenic -50892-23-4,Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,non-mutagenic -3025-77-2,Nc1ccc2ccccc2c1N=Nc3ccc(cc3)[N+](=O)[O-],mutagenic -25316-40-9,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic -2467-03-0,Oc1ccc(Cc2ccccc2O)cc1,non-mutagenic -2517-43-3,COC(C)CCO,non-mutagenic -71708-92-4,CC(=O)N(O)c1ccc(Oc2ccccc2)cc1,mutagenic -25058-17-7,CC(C)(c1ccc(OP(O)O)cc1)c2ccc(OP(O)O)cc2,non-mutagenic -111-64-8,CCCCCCCC(=O)Cl,mutagenic -5344-87-6,CC(C)(C)C(Br)C(=O)Nc1ccccc1,non-mutagenic -138154-40-2,CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23,mutagenic -139-94-6,CCNC(=O)Nc1ncc(s1)[N+](=O)[O-],mutagenic -22897-08-1,COc1ccc(O)c2C(=O)c3c(OC)cc4O[C@@H]5OC=C[C@H]5c4c3Oc12,mutagenic -71712-70-4,[O-][N+](=O)c1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,mutagenic -80-62-6,COC(=O)C(=C)C,non-mutagenic -102694-32-6,Oc1ccc2c3ccc(O)c4C(=O)C=C[C@@](O)([C@@H]5[C@H]6O[C@H]6C(=O)c1c25)c34,mutagenic -598-55-0,COC(=O)N,non-mutagenic -135561-93-2,Cc1cc(C)n(n1)c2[nH]nc(NN)c3c4ccccc4nc23,non-mutagenic -191861-17-3,Fc1cnc2ccc3cccnc3c2c1,mutagenic -64216-20-2,SC(NC(=O)NC(S)c1nc2ccccc2s1)c3nc4ccccc4s3,mutagenic -34331-95-8,Cc1c2ccccc2c(CBr)c3ccccc13,mutagenic -3198-41-2,Nc1cccc2cc3CCCCc3nc12,mutagenic -96-33-3,COC(=O)C=C,non-mutagenic -192705-52-5,CC(=O)Nc1c(O)cc2c3ccccc3c4cccc1c24,mutagenic -94339-56-7,OC1Cc2cc3ccc4cccc5ccc(c2C=C1)c3c45,mutagenic -115664-59-0,Oc1ccc2c(c1)c3ccc(c4cccc2c34)[N+](=O)[O-],mutagenic -97509-29-0,OC1C=Cc2cc3ccccc3c(c2C1O)[N+](=O)[O-],non-mutagenic -5858-81-1,Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O,non-mutagenic -1733-13-7,CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,non-mutagenic -56986-36-8,CCCCN(COC(=O)C)N=O,mutagenic -93285-74-6,C1CCC2=C(C1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic -22788-18-7,NP(=O)(OCCC(=O)O)N(CCCl)CCCl,mutagenic -94887-71-5,Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl,non-mutagenic -15980-15-1,C1CSCCO1,non-mutagenic -636-21-5,Cc1ccccc1N,mutagenic -486-25-9,O=C1c2ccccc2c3ccccc13,non-mutagenic -286-62-4,C1CCCC2OC2CC1,non-mutagenic -106589-50-8,C1Cc2c(C=C1)ccc3nc4ccc5ccccc5c4cc23,mutagenic -110004-96-1,CS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4ccc(cc24)N=N#N)N=N#N)cc1,non-mutagenic -154-69-8,CN(C)CCN(Cc1ccccc1)c2ccccn2,non-mutagenic -64356-85-0,C\C=C(/Cl)\C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,mutagenic -59-05-2,CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,non-mutagenic -103-69-5,CCNc1ccccc1,non-mutagenic -52411-33-3,Nc1ccccc1SCCSc2ccccc2N,mutagenic -89-73-6,ONC(=O)c1ccccc1O,mutagenic -603-85-0,Nc1c(O)cccc1[N+](=O)[O-],non-mutagenic -74518-99-3,CC(C)(C)c1ccc(\C=C\c2ccc(N)cc2)cc1,non-mutagenic -1703-58-8,OC(=O)C[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)O,mutagenic -83-32-9,C1Cc2cccc3cccc1c23,non-mutagenic -107210-40-2,CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(CCO)CCO,mutagenic -7696-62-0,CCCCOc1ccc(cc1)N=O,mutagenic -88-51-7,Cc1cc(c(N)cc1Cl)S(=O)(=O)O,mutagenic -63-75-2,COC(=O)C1=CCCN(C)C1,mutagenic -27108-42-5,CNC(=O)ON,mutagenic -79-10-7,OC(=O)C=C,non-mutagenic -141-82-2,OC(=O)CC(=O)O,non-mutagenic -110-62-3,CCCCC=O,non-mutagenic -21711-71-7,O=Nc1ccccc1c2ccccc2,mutagenic -108612-45-9,CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)c5nccc(O)n5,non-mutagenic -74407-29-7,CSC(C)(C)C(=O)NC(CS)C(=O)O,non-mutagenic -4685-14-7,C[n+]1ccc(cc1)c2cc[n+](C)cc2,non-mutagenic -66927-03-5,OC(CN=N#N)C(O)C(O)C(O)C=O,mutagenic -149862-56-6,CCCCCNc1snc2ccccc12,non-mutagenic -105-74-8,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,non-mutagenic -1325-37-7,Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],non-mutagenic -98-47-5,OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],non-mutagenic -121-00-6,COc1ccc(O)c(c1)C(C)(C)C,non-mutagenic -54455-37-7,[O-][N+](=O)c1ccc2C(=O)N(CCl)C(=O)c2c1,mutagenic -21145-77-7,CC1CC(C)(C)c2cc(C(=O)C)c(C)cc2C1(C)C,non-mutagenic -24471-48-5,OCc1cc2ccc3cccc4ccc(c1)c2c34,mutagenic -145142-70-7,CCCCON(OC(=O)C)C(=O)c1ccc(cc1)c2ccccc2,mutagenic -68-23-5,C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@H]1CC[C@@]2(O)C#C,non-mutagenic -91-15-6,N#Cc1ccccc1C#N,non-mutagenic -142783-37-7,CC(=O)Nc1cc(ccc1C)N=[N+]([O-])c2ccc(C)c(NC(=O)C)c2,non-mutagenic -123524-52-7,CC(C)OC(=O)C1=C(C)N=C(N)C(=C(O)OC2CN(C2)C(c3ccccc3)c4ccccc4)C1c5cccc(c5)[N+](=O)[O-],non-mutagenic -64431-93-2,C1CN=C(N1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)C5=NCCN5,non-mutagenic -569-26-6,CC1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1,mutagenic -2499-95-8,CCCCCCOC(=O)C=C,non-mutagenic -70055-49-1,CN(C)N=Nc1ccc(cc1)C(=O)O,non-mutagenic -98-07-7,ClC(Cl)(Cl)c1ccccc1,mutagenic -10094-45-8,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC\C=C\CCCCCCCC,non-mutagenic -2880-49-1,CC1(C)OC1COc2c3OC(=O)C=Cc3cc4ccoc24,non-mutagenic -551-88-2,CCC(CC)[N+](=O)[O-],non-mutagenic -106532-63-2,CCCC(=O)\N=C\1/SN(C(=O)CCC)c2ccc(cc12)[N+](=O)[O-],mutagenic -104-85-8,Cc1ccc(cc1)C#N,non-mutagenic -120812-49-9,[O-][N+](=O)c1ccc2ccc3ccc(c4c5ccccc5c1c2c34)[N+](=O)[O-],non-mutagenic -148193-35-5,COc1nsc2cc(OCC3CO3)ccc12,mutagenic -21811-73-4,OC(=O)c1c(Cl)c(Cl)c(Cl)c2Oc3c(Br)c(O)c(Br)cc3C(=O)c12,non-mutagenic -13010-08-7,CCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic -543-67-9,CCCON=O,mutagenic -1085-98-9,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,non-mutagenic -151378-33-5,OC1C2OC2C3=C(C=CC4C3c5cccc6cccc4c56)C1O,mutagenic -117-08-8,Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,non-mutagenic -7258-52-8,C1Cc2ccc3ccc4ccccc4c3c2C1,mutagenic -151-18-8,NCCC#N,non-mutagenic -84761-86-4,Clc1cccc2oc3ccccc3c12,non-mutagenic -3353-08-0,C[C@@H]1C=Cc2c1ccc3c2ccc4ccccc34,mutagenic -109-66-0,CCCCC,non-mutagenic -108-39-4,Cc1cccc(O)c1,non-mutagenic -119979-38-3,CCCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic -100-39-0,BrCc1ccccc1,mutagenic -120042-14-0,NC(CCN=N#N)C(=O)O,mutagenic -109143-19-3,COc1ccc2oc(cc2c1N(CCCl)CCCl)[N+](=O)[O-],mutagenic -7779-65-9,CC(C)CCOC(=O)\C=C/c1ccccc1,non-mutagenic -88-16-4,FC(F)(F)c1ccccc1Cl,non-mutagenic -1576-35-8,Cc1ccc(cc1)S(=O)(=O)NN,mutagenic -354-33-6,FC(F)C(F)(F)F,non-mutagenic -88-19-7,Cc1ccccc1S(=O)(=O)N,non-mutagenic -636-26-0,Cc1cnc(S)nc1O,non-mutagenic -97-00-7,[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],mutagenic -193-98-6,c1cc2ccc3cncc4ccc(c1)c2c34,mutagenic -165606-93-9,ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,mutagenic -84-56-0,c1ccc2cc3c(ccc4cccnc34)cc2c1,mutagenic -2303-17-5,CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,mutagenic -95-68-1,Cc1ccc(N)c(C)c1,mutagenic -NOCAS_M243,CN(C[C@H](O)CO)N=O,mutagenic -56341-08-3,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F,non-mutagenic -118-75-2,ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,mutagenic -15625-89-5,CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,mutagenic -114488-79-8,CC12CCCC(C)(C1CCC34CC(O)(CCC23)C5(CO5)C4)C(=O)O,non-mutagenic -NOCAS_M25,O[C@H]1C=Cc2c(ccc3c4cccc5cccc(c23)c45)[C@@H]1O,mutagenic -125157-96-2,CC1C2C(=Nc3ccccc23)N(C)c4ccc(C)cc14,mutagenic -1615-02-7,OC(=O)\C=C\c1ccc(Cl)cc1,non-mutagenic -100-12-9,CCc1ccc(cc1)[N+](=O)[O-],non-mutagenic -628-94-4,NC(=O)CCCCC(=O)N,non-mutagenic -159092-66-7,[O-][N+](=O)c1cccc2c1ccc3cccc(c23)[N+](=O)[O-],mutagenic -84-74-2,CCCCOC(=O)c1ccccc1C(=O)OCCCC,non-mutagenic -6052-68-2,OC(=O)C1Cc2c(CN1)[nH]c3ccccc23,non-mutagenic -60254-83-3,CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)O,non-mutagenic -115453-72-0,NC(CS\C(=C(/Cl)\C(Cl)(Cl)Cl)\Cl)C(=O)O,mutagenic -220168-55-8,[O-][N+](=O)c1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -536-90-3,COc1cccc(N)c1,mutagenic -90147-31-2,CCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -4081-23-6,O=P1(Oc2ccccc2)OCc3ccccc3O1,mutagenic -2150-54-1,Cc1cc(ccc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6c(O)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(C)c4,non-mutagenic -138-89-6,CN(C)c1ccc(cc1)N=O,mutagenic -7239-21-6,CN(C)N=Nc1ccc(Br)cc1,mutagenic -585-07-9,CC(=C)C(=O)OC(C)(C)C,non-mutagenic -100-41-4,CCc1ccccc1,non-mutagenic -3868-31-3,Nc1nc(O)c2nc(O)n(C3OC(CO)C(O)C3O)c2n1,non-mutagenic -2693-46-1,Nc1ccc2c3ccccc3c4cccc1c24,mutagenic -NOCAS_M387,CNCc1oc(CSCCN=C(NC[C@H](O)c2ccc(O)cc2)NS(=O)(=O)C)cc1,non-mutagenic -17420-30-3,Nc1ccc(cc1C#N)[N+](=O)[O-],mutagenic -2687-25-4,Cc1cccc(N)c1N,mutagenic -NOCAS_M514,CCOC(=O)C[C@H](SP(=S)(OC)OC)C(=O)OCC,non-mutagenic -578-66-5,Nc1cccc2cccnc12,mutagenic -5102-83-0,CC(=O)C(N=Nc1ccc(cc1Cl)c2ccc(N=NC(C(=O)C)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)C(=O)Nc4ccc(C)cc4C,non-mutagenic -111-94-4,N#CCCNCCC#N,non-mutagenic -78-84-2,CC(C)C=O,non-mutagenic -24072-75-1,Nc1nc2cc(Cl)c(Cl)cc2s1,non-mutagenic -637-69-4,COc1ccc(C=C)cc1,non-mutagenic -66734-13-2,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC12C,non-mutagenic -611-35-8,Clc1ccnc2ccccc12,mutagenic -126983-60-6,COC1=CC(=O)c2c([nH]cc3c4cnccc4nc23)C1=O,mutagenic -199536-84-0,ClCC1=C(Br)C(=O)OC1,mutagenic -27833-64-3,CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,non-mutagenic -518-34-3,COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc(c1)c23)c67)ccc5OC)cc4,mutagenic -23491-44-3,CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6,non-mutagenic -5908-27-0,OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,mutagenic -92569-06-7,Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ncc(s2)[N+](=O)[O-],non-mutagenic -1758-73-2,NC(=N)S(=O)O,non-mutagenic -63017-87-8,Cc1c(ccc2ccccc12)[N+](=O)[O-],mutagenic -139259-97-5,CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c2ccccc2,mutagenic -6607-30-3,CP1(C)NP(C)(C)NP(C)(C)N1,non-mutagenic -67634-00-8,CC(C)CCOCC(=O)OCC=C,non-mutagenic -NOCAS_M498,Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H]1Cl,non-mutagenic -93780-95-1,OC1C2OC2c3c(ccc4cc5ccc6ccccc6c5nc34)C1O,mutagenic -50-28-2,C[C@]12CC[C@@H]3[C@@H](CCc4cc(O)ccc34)[C@H]1CC[C@@H]2O,non-mutagenic -139-40-2,CC(C)Nc1nc(Cl)nc(NC(C)C)n1,non-mutagenic -60-51-5,CNC(=O)CSP(=S)(OC)OC,mutagenic -54484-90-1,CC[N+]([O-])(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,mutagenic -30835-61-1,COc1cc2C(=O)CCc2c3c(C)cc4ccccc4c13,mutagenic -938-73-8,CCOc1ccccc1C(=O)N,non-mutagenic -61551-82-4,OS(=O)(=O)c1ccc2cc(Oc3ccc4cc(ccc4c3)S(=O)(=O)O)ccc2c1,non-mutagenic -934-73-6,CS(=O)c1ccc(Cl)cc1,non-mutagenic -99400-75-6,CCCCCCCC\C=C/CCCCCCCCN,mutagenic -56-18-8,NCCCNCCCN,non-mutagenic -111-41-1,NCCNCCO,mutagenic -NOCAS_M134,COC(=O)[C@]12O[C@@]1(C)[C@@](O)(NC2=O)C(C)C,mutagenic -64-67-5,CCOS(=O)(=O)OCC,mutagenic -3571-31-1,COc1cc(O)c2C(=O)c3c(O)cc(C)cc3Cc2c1,mutagenic -NOCAS_M488,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C,non-mutagenic -NOCAS_M133,Cc1ccc(OC[C@H]2CO2)cc1,mutagenic -159092-71-4,[O-][N+](=O)c1ccc2c3ccccc3cc(c2c1)[N+](=O)[O-],mutagenic -58-27-5,CC1=CC(=O)c2ccccc2C1=O,mutagenic -101-67-7,CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1,non-mutagenic -89-59-8,Cc1ccc(Cl)cc1[N+](=O)[O-],non-mutagenic -59901-89-2,O=C([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic -1551-44-6,CCCC(=O)OC1CCCCC1,non-mutagenic -71424-66-3,CC1Cc2c(O)c(C)c3C4C(CCC(=C)c3c2C1=O)C4(C)C,non-mutagenic -63710-09-8,CCC1(O)CC(OC2CC(C(OC3CC(O)C(O)C(C)O3)C(C)O2)N(C)C)c4c(O)c5C(=O)c6c(O)ccc(O)c6C(=O)c5cc4C1C(=O)OC,mutagenic -124-19-6,CCCCCCCCC=O,non-mutagenic -1982-67-8,CS(=N)(=O)CCC(N)C(=O)O,non-mutagenic -98499-60-6,COc1ccccc1NCSC,mutagenic -587-04-2,Clc1cccc(C=O)c1,non-mutagenic -115217-02-2,CCC1=C(C(C)c2cc(O)ccc12)c3ccc(O)cc3,non-mutagenic -26530-20-1,CCCCCCCCN1SC=CC1=O,non-mutagenic -58-95-7,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,non-mutagenic -20702-77-6,COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O,non-mutagenic -253-52-1,c1ccc2cnncc2c1,non-mutagenic -68041-18-9,OS(=O)(=O)OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -1074-12-0,O=CC(=O)c1ccccc1,mutagenic -66041-61-0,Oc1ccc(cc1[N+](=O)[O-])c2ccc(O)c(c2)[N+](=O)[O-],non-mutagenic -38612-16-7,[O-][N+](=O)c1cccc(COC(=O)c2ccccc2)c1,non-mutagenic -109460-96-0,COC(=O)\C(=C\c1ccccc1Br)\C#N,non-mutagenic -5408-55-9,[O-][N+](=O)c1ccc2c(oc3ccc(cc23)[N+](=O)[O-])c1,mutagenic -35212-01-2,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N=[N+]([O-])c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-],mutagenic -504-78-9,C1CSCN1,mutagenic -120314-14-9,OCCc1cn(N=O)c2ccccc12,mutagenic -62783-49-7,CN(Cc1cccc(C)c1)N=O,mutagenic -126-30-7,CC(C)(CO)CO,non-mutagenic -2893-78-9,ClN1C(=O)NC(=O)N(Cl)C1=O,non-mutagenic -3695-86-1,COC(=O)\C(=C\c1occc1)\C#N,non-mutagenic -14078-41-2,COc1cc(c(O)c(c1)C(C)(C)C)c2cc(OC)cc(c2O)C(C)(C)C,non-mutagenic -150-13-0,Nc1ccc(cc1)C(=O)O,non-mutagenic -13684-63-4,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,mutagenic -140-10-3,OC(=O)\C=C\c1ccccc1,non-mutagenic -619-24-9,[O-][N+](=O)c1cccc(c1)C#N,mutagenic -55898-15-2,COc1cc2CCN(C)c3cc4cc5OCOc5cc4c(c1OC)c23,non-mutagenic -51630-58-1,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,non-mutagenic -2216-15-1,CCN(CC)c1ccc(cc1)[N+](=O)[O-],mutagenic -145142-71-8,CCCCON(OC(=O)C)C(=O)c1ccc(cc1)C(C)(C)C,mutagenic -13417-43-1,C\C=C(/C)\CCl,mutagenic -53940-49-1,COc1cc(CC2CO2)ccc1O,mutagenic -64625-66-7,Cc1c2ccccc2cc3c4C5OC5C(O)C(O)c4ccc13,mutagenic -109-86-4,COCCO,non-mutagenic -163275-58-9,Fc1cc2ccccc2c3ncccc13,mutagenic -56-49-5,Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,mutagenic -104953-00-6,CC1(CO1)c2ccc(cc2)C#N,mutagenic -55302-96-0,Cc1ccc(NCCO)cc1O,non-mutagenic -496-14-0,C1OCc2ccccc12,mutagenic -125369-82-6,Fc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N,mutagenic -133762-82-0,COC1=NC(=O)N(CC(O)CN=N#N)C=C1,mutagenic -19881-18-6,[O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,mutagenic -79-29-8,CC(C)C(C)C,non-mutagenic -215-62-3,c1ccc2nc3c4ccccc4c5ccccc5c3cc2c1,mutagenic -70-00-8,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F,mutagenic -100-61-8,CNc1ccccc1,non-mutagenic -473-90-5,OC(=O)C(=O)C(=O)O,non-mutagenic -202-98-2,C1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -128753-90-2,CC(=O)Oc1ccc2c(OC3(C)OOC23C)c1,mutagenic -1777-84-0,CCOc1ccc(NC(=O)C)cc1[N+](=O)[O-],mutagenic -16219-75-3,C\C=C\1/C[C@H]2C[C@@H]1C=C2,non-mutagenic -132742-01-9,[O-][N+](=O)c1ccc2ccc3c4CCC=Cc4cc5ccc1c2c35,mutagenic -136112-71-5,Nc1ncnc2c1nc(c3ccc(cc3)[N+](=O)[O-])n2c4ccc(cc4)[N+](=O)[O-],mutagenic -100-64-1,ON=C1CCCCC1,mutagenic -113124-70-2,COC1=CC(=O)c2c([nH]cc3c4ccccc4nc23)C1=O,mutagenic -539-21-9,NC(=N)NNc1ccc(cc1)N=NC(=S)N,mutagenic -3697-30-1,CCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -78411-56-0,Cc1cnc2c(ccc3c2nc(N)n3C)n1,mutagenic -14925-39-4,BrC(=C)C=O,mutagenic -3741-15-9,[O-][N+](=O)c1ccnc2ccccc12,mutagenic -166664-83-1,Cn1c(N)nc2nc3ncccc3cc12,non-mutagenic -57-27-2,CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35,non-mutagenic -78448-08-5,Oc1ccc2ccc3[nH]c4ccc5ccccc5c4c3c2c1,mutagenic -112-30-1,CCCCCCCCCCO,non-mutagenic -36712-35-3,[O-][N+](=O)c1ccc(c2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic -1711-06-4,Cc1cccc(c1)C(=O)Cl,mutagenic -90301-59-0,OCC1OC(CC1O)N2C=C(CCCl)C(=O)NC2=O,mutagenic -89795-79-9,Nc1cccc2cnsc12,mutagenic -226237-61-2,COc1c2ccoc2[n+]([O-])c3ccccc13,non-mutagenic -NOCAS_M104,COc1cc2O[C@@H]3OC=C[C@H]3c2c4Oc5cccc(O)c5C(=O)c14,mutagenic -107-64-2,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,non-mutagenic -49792-23-6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(=O)O)C2C1)C(=O)O,non-mutagenic -17722-52-0,OC(=O)CCC(=O)Nc1ccc(Cl)cc1,non-mutagenic -73931-96-1,OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,non-mutagenic -126-73-8,CCCCOP(=O)(OCCCC)OCCCC,non-mutagenic -56656-97-4,COC(=O)\C(=C\c1oc(Br)cc1)\C#N,non-mutagenic -137-08-6,CC(C)(CO)C(O)C(=O)NCCC(=O)O,non-mutagenic -1086-00-6,ClCc1ccc2ccc3cccc4ccc1c2c34,mutagenic -97576-08-4,O[C@@H]1C=Cc2c(cc3ccc4c(ccc5ccc2c3c45)[N+](=O)[O-])[C@H]1O,mutagenic -91-19-0,c1ccc2nccnc2c1,mutagenic -39653-72-0,N#CC1=Cc2cccc3cccc1c23,mutagenic -548-08-3,CN1CCc2cc3OCOc3c4c5ccccc5CC1c24,mutagenic -18172-67-3,CC1(C)C2CCC(=C)C1C2,non-mutagenic -57-67-0,NC(=N)NS(=O)(=O)c1ccc(N)cc1,non-mutagenic -6257-64-3,CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C,non-mutagenic -1250-95-9,CC(C)CCCC(C)C1CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C,mutagenic -136861-00-2,Nc1cc(c(c2ccccc2)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -540-51-2,OCCBr,mutagenic -2846-29-9,CC(C)CCCC(C)C1CCC2C3C(OO)C=C4CC(O)CCC4(C)C3CCC12C,mutagenic -NOCAS_M36,C[C@@H](O)CN(C)c1ccc(NN)nn1,mutagenic -92-69-3,Oc1ccc(cc1)c2ccccc2,mutagenic -14901-07-6,CC(=O)\C=C/C1=C(C)CCCC1(C)C,non-mutagenic -67508-87-6,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@@H](O)[C@H](C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)C,mutagenic -97-52-9,COc1cc(ccc1N)[N+](=O)[O-],mutagenic -NOCAS_M411,C\C=C/1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23,non-mutagenic -84305-41-9,COC1(NC(=O)CSCC(N)C(=O)O)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,non-mutagenic -131206-89-8,CN(C)CCCN1C=CN(C)C1\C=N\O,non-mutagenic -129812-29-9,CC12OOC1(C)c3c(O2)ccc4ccccc34,non-mutagenic -131862-19-6,CN(C)CCNC(=O)c1cccc2nc(oc12)c3ccccc3,non-mutagenic -627-30-5,OCCCCl,mutagenic -40180-04-9,OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,non-mutagenic -26446-35-5,CC(=O)OC[C@H](O)CO,mutagenic -625-45-6,COCC(=O)O,non-mutagenic -131-91-9,Oc1ccc2ccccc2c1N=O,non-mutagenic -143922-97-8,Cc1c(N)cccc1N=Nc2cccc(N)c2C,mutagenic -51-28-5,Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -5216-25-1,Clc1ccc(cc1)C(Cl)(Cl)Cl,mutagenic -32116-25-9,CC(=O)c1ccc([nH]1)[N+](=O)[O-],mutagenic -133762-78-4,Nc1ncnc2c1cnn2CC(O)CN=N#N,mutagenic -98-96-4,NC(=O)c1cnccn1,non-mutagenic -67737-62-6,OC1C2OC2c3c(ccc4ccccc34)C1O,mutagenic -17831-71-9,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,non-mutagenic -27746-63-0,Clc1cc(cc(Cl)c1Cl)N2C(=O)CCC2=O,non-mutagenic -106264-79-3,CSc1cc(SC)c(N)c(C)c1N,mutagenic -644-21-3,CCN(N)c1ccccc1,mutagenic -112-36-7,CCOCCOCCOCC,non-mutagenic -99675-03-3,COP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,non-mutagenic -110-05-4,CC(C)(C)OOC(C)(C)C,non-mutagenic -77-46-3,CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)C)cc2,non-mutagenic -117760-93-7,Nc1cc2c3C=C[C@@H](O)[C@H](O)c3ccc2c4ccccc14,mutagenic -332397-22-5,N\C(=N/OS(=O)(=O)O)\c1ccccc1,non-mutagenic -29852-26-4,ClCc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -138-59-0,O[C@H]1CC(=C[C@@H](O)[C@@H]1O)C(=O)O,non-mutagenic -96563-09-6,CC1c2cc(C)ccc2c3ccc(C)cc13,non-mutagenic -105708-68-7,CC(=O)OC1Cc2ccc3ccc4cccc5cc1c2c3c45,mutagenic -2832-40-8,CC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O,mutagenic -4543-63-9,CNC(=O)NOC(=O)NC,mutagenic -1120-71-4,O=S1(=O)CCCO1,mutagenic -147293-14-9,Cn1c(N)nc2c3cnccc3ccc12,mutagenic -132059-51-9,OC1OC(=O)C(=C1C(Cl)Br)Cl,mutagenic -126420-94-8,Cc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic -1135-14-4,Nc1ccc(Sc2ccccc2)cc1,mutagenic -2508-23-8,CC(=O)N(O)c1ccc2ccccc2c1,mutagenic -14308-65-7,CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -128714-76-1,[O-][N+](=O)c1ccc2ccc3c4ccccc4c(c5ccc1c2c35)[N+](=O)[O-],mutagenic -5410-97-9,[O-][N+](=O)c1ccc2c(oc3ccccc23)c1,mutagenic -628-02-4,CCCCCC(=O)N,non-mutagenic -161696-98-6,CNc1ccc2nccnc2c1C,mutagenic -2403-28-3,O=C(\C=C\c1ccc(cc1)c2ccccc2)c3ccccc3,non-mutagenic -56961-79-6,Cc1c(Cl)cnc2ccccc12,non-mutagenic -42011-48-3,[O-][N+](=O)c1oc(cc1)c2csc(NC(=O)C(F)(F)F)n2,mutagenic -55-98-1,CS(=O)(=O)OCCCCOS(=O)(=O)C,mutagenic -39965-42-9,CC(C)(C)NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -NOCAS_M229,CCOC[C@H]1CO1,mutagenic -36504-65-1,O1[C@@H]2C=Cc3c(cc4ccc5cccc6ccc3c4c56)[C@H]12,mutagenic -80-07-9,Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,non-mutagenic -512-56-1,COP(=O)(OC)OC,mutagenic -3308-64-3,Cc1ccc2cc3c(ccc4ccccc34)c5CC(O)c1c25,non-mutagenic -99523-58-7,Cc1ccc2nsc(NC(=O)C(Cl)Cl)c2c1,mutagenic -626-16-4,ClCc1cccc(CCl)c1,non-mutagenic -67019-29-8,O=C(Nc1ccccc1)Nc2snc3ccccc23,non-mutagenic -25973-55-1,CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,non-mutagenic -17455-26-4,C1CCC2OCCOCCOCCOCCOC3CCCCC3OCCOCCOCCOCCOC2C1,non-mutagenic -19785-01-4,COc1ccc(OC)c(\C=C\C)c1,non-mutagenic -599-79-1,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,non-mutagenic -253-53-2,c1cc2cnncc2cn1,non-mutagenic -25377-72-4,CC\C=C\C,non-mutagenic -13345-23-8,Oc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic -6606-59-3,CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,non-mutagenic -93-08-3,CC(=O)c1ccc2ccccc2c1,non-mutagenic -532-27-4,ClCC(=O)c1ccccc1,non-mutagenic -105735-71-5,[O-][N+](=O)c1cccc2c3ccc(c4cccc(c12)c34)[N+](=O)[O-],mutagenic -115340-67-5,OC(=O)\C(=C(/C=O)\C(Cl)Cl)\Cl,mutagenic -521-31-3,Nc1cccc2c(O)nnc(O)c12,non-mutagenic -99523-60-1,CCC(=O)Nc1snc2ccc(C)cc12,non-mutagenic -39638-73-8,NC1=NC(=O)N(C=C1O)C2OC(CO)C(O)C2O,non-mutagenic -81-11-8,Nc1ccc(\C=C/c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,non-mutagenic -569-57-3,COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,non-mutagenic -38777-13-8,CC(C)Oc1ccccc1OC(=O)N(C)N=O,mutagenic -115664-55-6,Oc1ccc2c(ccc3c4ccccc4c1c23)[N+](=O)[O-],mutagenic -NOCAS_M493,CC(C)[C@@H]1CC=C(C)[C@H]2CC=C(C)C[C@H]12,non-mutagenic -614-00-6,CN(N=O)c1ccccc1,mutagenic -131862-20-9,CN(C)CCNC(=O)c1cccc2oc(nc12)c3ccccc3,non-mutagenic -NOCAS_M103,CCCC[C@@H](CC)COC(=O)c1ccc(N(C)C)c(c1)[N+](=O)[O-],mutagenic -35367-38-5,Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,non-mutagenic -38134-58-6,NC(CCC(=O)NC(CSC(=O)NCCCl)C(=O)NCC(=O)O)C(=O)O,mutagenic -96918-15-9,o1ccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic -3365-85-3,Nc1ccc(cc1)c2ccc(cc2)c3ccc(N)cc3,mutagenic -480-19-3,COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,non-mutagenic -107-46-0,C[Si](C)(C)O[Si](C)(C)C,non-mutagenic -124-26-5,CCCCCCCCCCCCCCCCCC(=O)N,non-mutagenic -115781-42-5,Cc1cnc2ccc3c(nc(NC4OC(C(O)C(O)C4O)C(=O)O)n3C)c2n1,non-mutagenic -1719-53-5,CC[Si](Cl)(Cl)CC,non-mutagenic -1024-41-5,Cc1ccc(cc1)S(=O)(=O)OCc2ccccc2,non-mutagenic -497-56-3,Cc1c(O)cc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -5003-48-5,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,non-mutagenic -1165-39-5,COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14,mutagenic -118517-21-8,CC(C)CCCC(C)C1CCC2C3CC4N(N5C(=O)c6ccccc6C5=O)C47CC(Cl)CCC7(C)C3CCC12C,non-mutagenic -111017-06-2,COc1cc2CCN(C=O)c3cc4ccccc4c(c1OC)c23,mutagenic -286-99-7,C1CCCCCC2OC2CCCC1,non-mutagenic -50438-75-0,CN(C)c1ccc(CCO)cc1,mutagenic -101489-26-3,Oc1cccc2Oc3cc4OC5OCCC5c4c(O)c3C(=O)c12,non-mutagenic -155798-37-1,CCN(CCCl)c1ccc(OCCCCCNc2c3ccccc3nc4ccccc24)cc1,mutagenic -17526-33-9,CC(=O)OCc1c2ccccc2cc3ccc4ccccc4c13,mutagenic -59-00-7,OC(=O)c1cc(O)c2cccc(O)c2n1,non-mutagenic -872-50-4,CN1CCCC1=O,non-mutagenic -573-56-8,Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -75-86-5,CC(C)(O)C#N,non-mutagenic -NOCAS_M481,CC(C)C[C@@H](C)N,non-mutagenic -51-45-6,NCCc1c[nH]cn1,non-mutagenic -1596-84-5,CN(C)NC(=O)CCC(=O)O,non-mutagenic -575-44-0,Oc1ccc2c(O)cccc2c1,mutagenic -314-13-6,Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,mutagenic -151751-83-6,CCOC(=O)N(CCC=O)N=O,mutagenic -27762-78-3,CCOC(C)C(=O)C(O)O,mutagenic -25584-83-2,CC(O)COC(=O)C=C,non-mutagenic -87436-71-3,OC1C=Cc2c(Br)c3ccc4ccccc4c3cc2C1O,non-mutagenic -93-45-8,Oc1ccc(Nc2ccc3ccccc3c2)cc1,non-mutagenic -6358-53-8,COc1ccc(OC)c(c1)N=Nc2c(O)ccc3ccccc23,mutagenic -26538-44-3,C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,non-mutagenic -602-38-0,[O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],mutagenic -309-36-4,CCC#C[C@@H](C)[C@@]1(CC=C)C(=O)NC(=O)N(C)C1=O,non-mutagenic -139259-94-2,CC(=O)ON(OCc1ccc(C)cc1)C(=O)c2ccccc2,mutagenic -114451-08-0,Cn1c(nc2c3cccnc3ccc12)[N+](=O)[O-],mutagenic -2784-86-3,CC(=O)Nc1ccc2c(Cc3ccccc23)c1O,non-mutagenic -50834-39-4,CSCCC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic -111753-73-2,COc1ccc(cc1)C(=C(CCC(=O)O)C#N)c2ccc(OC)cc2,non-mutagenic -27602-80-8,COc1ccc(CC2CO2)cc1OC,mutagenic -117760-95-9,[O-][N+](=O)c1ccccc1SS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl,mutagenic -173428-76-7,CC(=O)c1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,mutagenic -NOCAS_M528,O=C(C1CCCCC1)N2C[C@H]3N(CCc4ccccc34)C(=O)C2,non-mutagenic -96563-10-9,CC1c2cc(F)ccc2c3ccc(F)cc13,mutagenic -1892-54-2,Nc1ccc2ccc3ccccc3c2c1,mutagenic -139259-95-3,CC(=O)ON(OCc1ccc(cc1)c2ccccc2)C(=O)c3ccccc3,mutagenic -1174-72-7,O(c1ccccc1)[Si](Oc2ccccc2)(Oc3ccccc3)Oc4ccccc4,non-mutagenic -187585-43-9,COc1ccc(cc1[N+](=O)[O-])C2=C(C(=O)c3ccccc3O2)[N+](=O)[O-],mutagenic -1912-31-8,CCCOS(=O)(=O)C,mutagenic -603-83-8,Cc1c(N)cccc1[N+](=O)[O-],mutagenic -580-17-6,Nc1cnc2ccccc2c1,mutagenic -58-85-5,OC(=O)CCCCC1SCC2NC(=O)NC12,non-mutagenic -614-45-9,CC(C)(C)OOC(=O)c1ccccc1,mutagenic -34798-80-6,CC(=O)C1(CCNCC1)c2ccccc2,non-mutagenic -38579-27-0,NCCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)O,non-mutagenic -87-90-1,ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,non-mutagenic -122367-97-9,CC1CC2C(Cc3cn(CC4CC4)c5cc(Br)cc2c35)N(C)C1,non-mutagenic -14692-41-2,Cn1cnc2c3cccnc3ccc12,mutagenic -126370-96-5,Clc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic -51787-75-8,Nc1cc(ccc1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],mutagenic -74-85-1,C=C,non-mutagenic -130-17-6,Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,mutagenic -NOCAS_M137,OCN1[C@H](O)[C@@H](O)N(CO)C1=O,mutagenic -97851-14-4,Oc1ccc(cc1[N+](=O)[O-])c2cccc(c2)[N+](=O)[O-],mutagenic -102000-59-9,Nc1cccc(N)c1C(=O)O,mutagenic -113058-38-1,Oc1ccc2c3ccccc3c4cc5ccccc5cc4c2c1,mutagenic -106-38-7,Cc1ccc(Br)cc1,non-mutagenic -3375-84-6,CC(O)CN1CC(C)OC1=O,non-mutagenic -8047-99-2,CCNS(=O)(=O)c1ccccc1C,mutagenic -85-84-7,Nc1ccc2ccccc2c1N=Nc3ccccc3,non-mutagenic -612-57-7,Clc1ccc2ncccc2c1,mutagenic -59901-90-5,CC(=O)O[C@H]([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic -141-32-2,CCCCOC(=O)C=C,non-mutagenic -2921-88-2,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic -2107-76-8,CC1=CC(=O)Oc2cc(O)cc(O)c12,non-mutagenic -117-02-2,Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -122365-36-0,Nc1c2ncn(c2nc[n+]1[O-])C(c3ccccc3)(c4ccccc4)c5ccccc5,mutagenic -1672-88-4,[O-][N+](=O)c1oc(\C=C\C=N\N2CC(=O)NC2=O)cc1,mutagenic -21229-99-2,ONc1ccc(Sc2ccccc2)cc1,mutagenic -294-93-9,C1COCCOCCOCCO1,non-mutagenic -2417-77-8,BrCc1c2ccccc2cc3ccccc13,mutagenic -42397-65-9,[O-][N+](=O)c1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic -3845-76-9,CN(C)CCCNC(=O)C=C,non-mutagenic -23043-60-9,Nc1cccc2nc3ccccc3c(N)c12,mutagenic -101043-65-6,[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)N=O,mutagenic -100-01-6,Nc1ccc(cc1)[N+](=O)[O-],mutagenic -4531-49-1,COc1ccccc1NC(=O)C(N=Nc2ccc(cc2Cl)c3ccc(N=NC(C(=O)C)C(=O)Nc4ccccc4OC)c(Cl)c3)C(=O)C,non-mutagenic -541-73-1,Clc1cccc(Cl)c1,non-mutagenic -18868-66-1,CCc1c2ccccc2cc3ccc4ccccc4c13,non-mutagenic -60687-93-6,CC(=O)NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(=O)O)c(C(=O)O)c4C(=O)c3c2O,non-mutagenic -2373-98-0,Nc1ccc(cc1O)c2ccc(N)c(O)c2,mutagenic -33301-41-6,CS(=O)(=O)OC1CN(C1)C(c2ccccc2)c3ccccc3,mutagenic -60-23-1,NCCS,non-mutagenic -35077-51-1,CN(C(=O)C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,non-mutagenic -299-11-6,C[n+]1c2ccccc2nc3ccccc13,mutagenic -5275-46-7,CC(C)(N=O)[N+](=O)[O-],mutagenic -111-49-9,C1CCCNCC1,non-mutagenic -591-17-3,Cc1cccc(Br)c1,non-mutagenic -120-32-1,Oc1ccc(Cl)cc1Cc2ccccc2,non-mutagenic -104-94-9,COc1ccc(N)cc1,mutagenic -NOCAS_M122,CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O,mutagenic -3062-57-5,[O-][N+](=O)c1ccc2[nH]c3c(cccc3c2c1)[N+](=O)[O-],mutagenic -NOCAS_M440,C[C@@H](O)C(=O)O,non-mutagenic -139953-77-8,OC(=O)c1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic -95-19-2,CCCCCCCCCCCCCCCCCC1=NCCN1CCO,non-mutagenic -2243-47-2,Nc1cccc(c1)c2ccccc2,mutagenic -495-18-1,ONC(=O)c1ccccc1,mutagenic -140-31-8,NCCN1CCNCC1,non-mutagenic -1204-68-8,Cc1ccc(cc1)N(CCCl)CCCl,non-mutagenic -132172-58-8,OC1C=Cc2c(C1O)c3ccccc3c4cc5ccccc5cc24,mutagenic -146724-32-5,COC(=O)c1cc2ccc3cccnc3c2[nH]1,non-mutagenic -120812-46-6,[O-][N+](=O)c1ccc2ccc3cccc4c5CCCCc5c1c2c34,mutagenic -608-93-5,Clc1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -965-52-6,Oc1ccc(cc1)C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-],mutagenic -138805-32-0,CC(=O)Nc1ccc(C)c(c1)N=[N+]([O-])c2cc(NC(=O)C)ccc2C,non-mutagenic -315-22-0,C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,non-mutagenic -135673-14-2,CC(=O)Nc1ccc(Oc2ccc(cc2)N=O)cc1,mutagenic -302-70-5,C[N+]([O-])(CCCl)CCCl,mutagenic -136-85-6,Cc1ccc2[nH]nnc2c1,non-mutagenic -185376-54-9,Cc1c(NO)cc(NO)cc1[N+](=O)[O-],mutagenic -143603-81-0,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(C)cc3,non-mutagenic -71382-49-5,N1C2C1c3cc4c(ccc5ccccc45)cc3c6ccccc26,mutagenic -19190-80-8,COC(=O)C1OC1c2ccccc2,mutagenic -98-94-2,CN(C)C1CCCCC1,non-mutagenic -42308-20-3,CC(Br)C(=O)Nc1ccccc1,mutagenic -96687-77-3,OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N2C(CSC2c3ccccc3O)C(=O)O)c4ccccc4O,non-mutagenic -NOCAS_M314,CN1C[C@@H](C=C2[C@@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(C)O[C@]6(O)[C@H]7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O,non-mutagenic -607-57-8,[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,mutagenic -34834-67-8,CN1C(CC(O)C1=O)c2cccnc2,non-mutagenic -19337-19-0,CC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic -892-21-7,[O-][N+](=O)c1ccc2c3ccccc3c4cccc1c24,mutagenic -111-84-2,CCCCCCCCC,non-mutagenic -128531-59-9,CCN(CC)C(=S)SSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,non-mutagenic -603-50-9,CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,non-mutagenic -5850-89-5,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)S(=O)(=O)O,non-mutagenic -104499-47-0,CNCCN(Cc1ccc(OC)cc1)c2ccccn2,non-mutagenic -139953-95-0,CCCO\C=C\C=C\C=C\C=C\C=C\CC,mutagenic -13551-87-6,COC[C@H](O)Cn1ccnc1[N+](=O)[O-],mutagenic -3648-20-2,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,non-mutagenic -89300-15-2,CC\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic -5166-35-8,CC(Cl)C(=C)C,mutagenic -523-61-5,COc1c(C(=O)O)c(O)nc2ccccc12,non-mutagenic -60-13-9,CC(N)Cc1ccccc1,non-mutagenic -108-30-5,O=C1CCC(=O)O1,non-mutagenic -495-48-7,[O-][N+](=Nc1ccccc1)c2ccccc2,mutagenic -69245-38-1,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=CC4=N)O)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC,mutagenic -97461-41-1,CC(C)(C)CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -90-12-0,Cc1cccc2ccccc12,non-mutagenic -3411-58-3,CCOC(=O)C(N)CS,mutagenic -53737-95-4,O1C=C[C@H]2[C@@H]1Oc3ccccc23,mutagenic -50-29-3,Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,non-mutagenic -53478-38-9,CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic -62-56-6,NC(=S)N,non-mutagenic -95-83-0,Nc1ccc(Cl)cc1N,mutagenic -77784-22-6,COc1ccc2c(cc3N(C)CCc4cc5OCOc5c2c34)c1OC,mutagenic -23077-88-5,OCCOc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(OCCO)c(OCCO)c3)O,non-mutagenic -10125-76-5,O=Nc1ccc(cc1)c2ccccc2,mutagenic -102-70-5,C=CCN(CC=C)CC=C,non-mutagenic -79-36-7,ClC(Cl)C(=O)Cl,mutagenic -3722-54-1,COc1ccc2Oc3cc(OC)cc(OC)c3C(=O)c2c1,mutagenic -1122-62-9,CC(=O)c1ccccn1,non-mutagenic -139259-98-6,CC(=O)ON(OCc1ccc(cc1)[N+](=O)[O-])C(=O)c2ccccc2,mutagenic -8062-14-4,Nc1cc(N)c(cc1N=Nc2ccc(cc2)S(=O)(=O)N)N=Nc3ccc(cc3)S(=O)(=O)N,mutagenic -84506-41-2,COC(=O)C(C)CN=N#N,mutagenic -66842-41-9,C1O[C@@H]1c2cc3c4ccccc4ccc3c5ccccc25,mutagenic -100-75-4,O=NN1CCCCC1,mutagenic -83473-93-2,CSCCC(=O)N1C(CSC1c2ccccc2O)C(=O)O,non-mutagenic -101688-02-2,[O-][N+](=O)c1oc2ccc3cc(ccc3c2c1)N(CCCl)CCCl,mutagenic -138331-98-3,OC1OC(CN=N#N)C(O)C(O)C1O,mutagenic -26675-46-7,FC(F)OC(Cl)C(F)(F)F,non-mutagenic -121-57-3,Nc1ccc(cc1)S(=O)(=O)O,non-mutagenic -155164-60-6,ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccc(Cl)cc2,non-mutagenic -104-40-5,CCCCCCCCCc1ccc(O)cc1,non-mutagenic -37597-20-9,COc1cc2CCN(Cc2cc1OC)N=O,mutagenic -6379-69-7,C\C=C\C(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C24CO4,non-mutagenic -52101-49-2,CC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic -599-07-5,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(=O)O)C2C1)C(=O)O,non-mutagenic -491-64-5,COc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1,mutagenic -130-80-3,CCC(=O)Oc1ccc(cc1)\C(=C(/CC)\c2ccc(OC(=O)CC)cc2)\CC,non-mutagenic -710-25-8,NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -124858-35-1,CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,non-mutagenic -111-02-4,CC(=CCC\C(=C/CC\C(=C/CC\C=C(\C)/CC\C=C(\C)/CCC=C(C)C)\C)\C)C,non-mutagenic -58-15-1,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,mutagenic -96-29-7,CC\C(=N/O)\C,mutagenic -136-95-8,Nc1nc2ccccc2s1,non-mutagenic -4813-50-7,CCCCOO,mutagenic -24777-14-8,COc1cc(ccc1O)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic -396-01-0,Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,non-mutagenic -585-08-0,O1C2C1c3ccccc3c4ccccc24,mutagenic -NOCAS_M94,C[C@@H]1[C@H](O)CCC2=CC(=O)[C@]3(O[C@H]3[C@@]12C)[C@H]4O[C@H]4CO,mutagenic -89415-69-0,BrCCOC(=O)C(=O)OCCBr,mutagenic -30461-65-5,Oc1cccc2Oc3c4[C@@H]5C=CO[C@H]5Oc4cc(O)c3C(=O)c12,mutagenic -48134-75-4,C[n+]1ccc(cc1)c2ccccc2,non-mutagenic -118-79-6,Oc1c(Br)cc(Br)cc1Br,non-mutagenic -73536-69-3,COC(=O)c1cc(OC)c2OCOc2c1c3c4OCOc4c(OC)cc3C(=O)OC,non-mutagenic -150446-00-7,Cc1c(\C=N\OCc2cccc(c2)[N+](=O)[O-])c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],mutagenic -4514-19-6,Cc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic -280-57-9,C1CN2CCN1CC2,non-mutagenic -458-37-7,COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O,non-mutagenic -7576-88-7,Cc1nc2ccc(N)cc2nc1C,mutagenic -NOCAS_M376,Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl,non-mutagenic -106532-77-8,[O-][N+](=O)c1cccc(c1)C(=O)\N=C\2/SN(C(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(cc24)[N+](=O)[O-],mutagenic -532-82-1,Nc1ccc(N=Nc2ccccc2)c(N)c1,mutagenic -NOCAS_M326,C[C@@H](O)CO,non-mutagenic -40809-41-4,CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O,non-mutagenic -2148-31-4,CC(=O)NC(CS\C(=C\Cl)\Cl)C(=O)O,mutagenic -106-63-8,CC(C)COC(=O)C=C,non-mutagenic -345667-60-9,CCc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -606-22-4,Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -75-99-0,CC(Cl)(Cl)C(=O)O,non-mutagenic -133-07-3,ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,mutagenic -147-24-0,CN(C)CCOC(c1ccccc1)c2ccccc2,non-mutagenic -219-08-9,C1C=Cc2c1ccc3c2ccc4ccccc34,mutagenic -16430-32-3,CC(=O)OCc1c2ccccc2cc3ccccc13,mutagenic -3121-61-7,COCCOC(=O)C=C,non-mutagenic -35282-68-9,CN(C)c1ccc(cc1)N=Nc2ccccc2CO,mutagenic -107-18-6,OCC=C,non-mutagenic -4901-51-3,Oc1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -121-60-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,non-mutagenic -84434-42-4,Cc1c(N)ccc(N=Nc2ccccc2)c1N,mutagenic -111-24-0,BrCCCCCBr,mutagenic -75-04-7,CCN,non-mutagenic -107-07-3,OCCCl,mutagenic -112-53-8,CCCCCCCCCCCCO,non-mutagenic -1785-51-9,O=C1C=Cc2ccc3C(=O)C=Cc4ccc1c2c34,mutagenic -149418-41-7,BrC1=C(Br)C(=O)OC1,mutagenic -634-93-5,Nc1c(Cl)cc(Cl)cc1Cl,non-mutagenic -191-30-0,c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45,mutagenic -110-96-3,CC(C)CNCC(C)C,non-mutagenic -88741-67-7,COc1ccc2C(=O)c3c(O)c(OC)cc4ccnc(c2c1)c34,mutagenic -61-82-5,Nc1nc[nH]n1,non-mutagenic -25413-02-9,CCOC(=O)CNC(=O)C(C)Br,mutagenic -145531-22-2,NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4ccc(cc24)N=N#N)N=N#N)cc1,mutagenic -74367-78-5,[O-][N+](=O)c1cc(CCl)cc(c1)[N+](=O)[O-],mutagenic -NOCAS_M188,C[C@@H](O)[C@H](NC(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN[C@H](C)c7ccccc7,mutagenic -7756-96-9,CCCCOC(=O)c1ccccc1N,non-mutagenic -16354-50-0,CCc1c2ccccc2c(C)c3c1ccc4ccccc34,non-mutagenic -93673-32-6,C1C2=C3C=CC=CC3=CC4=C5OC5=C(C24)c6ccccc16,mutagenic -2998-23-4,CCCCCOC(=O)C=C,non-mutagenic -926-06-7,CC(C)OS(=O)(=O)C,mutagenic -2422-79-9,Cc1c2ccccc2cc3ccc4ccccc4c13,mutagenic -86853-97-6,O=C1c2ccc3ccccc3c2c4c1ccc5ccccc45,mutagenic -59405-31-1,OS(=O)(=O)CNc1ccc(cc1)N=Nc2cccnc2,non-mutagenic -477-73-6,Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N,mutagenic -69-09-0,CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,non-mutagenic -NOCAS_M393,COC(=C1[C@@H](C(=C(COC(=O)N)N=C1C)C(=O)OC(C)C)c2cccc(Cl)c2Cl)O,non-mutagenic -16238-56-5,Cc1c2ccccc2c(CBr)c3ccc4ccccc4c13,mutagenic -61788-44-1,C(=C\c1cccc(\C=C\c2ccccc2)c1)/c3ccccc3,non-mutagenic -17024-19-0,[O-][N+](=O)c1ccc2ccc3ccccc3c2c1,mutagenic -96287-03-5,Cc1cccn2c1nc3c(C)c(N)cnc23,mutagenic -71422-67-8,Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2,non-mutagenic -NOCAS_M419,CCCCCCCCCCCCOC[C@H]1CO1,non-mutagenic -114414-79-8,CC1C2C(=Nc3ccccc23)N(C)c4ccccc14,mutagenic -3697-24-3,Cc1cc2ccccc2c3ccc4ccccc4c13,mutagenic -844-26-8,Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,mutagenic -14160-38-4,CC(C)(C)C1=CC(=O)C=C(C1=O)C2=CC(=O)C=C(C2=O)C(C)(C)C,mutagenic -2444-36-2,OC(=O)Cc1ccccc1Cl,non-mutagenic -26266-68-2,CCC(CCC=C)C=O,non-mutagenic -1698-60-8,NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,non-mutagenic -20830-81-3,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C,mutagenic -67464-46-4,N1C2C1c3ccccc3c4ccccc24,mutagenic -NOCAS_M125,O1[C@@H]2[C@H]1c3c4ccccc4cc5c6ccccc6cc2c35,mutagenic -60-93-5,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,non-mutagenic -91687-67-1,CC(Br)C(=O)NCc1ccc(Cl)cc1,mutagenic -70955-02-1,NNC(=O)CNc1ccc2ccccc2c1,non-mutagenic -138542-40-2,[O-][N+](=O)c1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic -105427-01-8,CC1(CO1)C(=O)Nc2ccccc2,mutagenic -66-22-8,Oc1ccnc(O)n1,non-mutagenic -162050-11-5,COC(=O)C1O\C(=N/O)\C(=C1Cl)Cl,non-mutagenic -97546-74-2,CC1(C)CC(C(=O)NC(CO)C(O)CO)C(C)(C)[N+]1=O,non-mutagenic -88492-34-6,Nc1ncnc2c1ncn2CC(O)CN=N#N,mutagenic -17528-53-9,OC(=O)COc1ccc(cc1)N(CCCl)CCCl,mutagenic -103616-17-7,OC(=O)C1=C(O)C(=O)C=CO1,non-mutagenic -602-01-7,Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],mutagenic -128753-91-3,CC(=O)Oc1ccc2OC3(C)OOC3(C)c2c1,mutagenic -107097-80-3,CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,non-mutagenic -30418-53-2,C=CC(=O)c1ccc2OCOc2c1,non-mutagenic -469-83-0,C[C@@]12CCc3occc3C1CC[C@@]45CC(CCC24)C(O)(CO)C5,non-mutagenic -65847-03-2,COc1c2ccoc2nc3c(O)c4OCOc4c(CC=C(C)C)c13,non-mutagenic -696-54-8,O\N=C\c1ccncc1,non-mutagenic -33979-15-6,CC1\C=C(\C=C)/C(=O)OC2CC[N+]3(C)CC=C(COC(=O)C1(C)OC(=O)C)C23O,mutagenic -142-84-7,CCCNCCC,non-mutagenic -NOCAS_M37,N[C@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,mutagenic -33203-82-6,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,mutagenic -109143-20-6,COc1ccc(N(CCCl)CCCl)c2cc(oc12)[N+](=O)[O-],mutagenic -124617-85-2,CCCCCCCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic -6795-16-0,COc1cc2OC3OCCC3c2c4Oc5cccc(O)c5C(=O)c14,non-mutagenic -531-85-1,Nc1ccc(cc1)c2ccc(N)cc2,mutagenic -625-86-5,Cc1oc(C)cc1,non-mutagenic -16339-05-2,CCCCCN(CCCC)N=O,mutagenic -98046-72-1,Cc1cccn2c1nc3c(C)c(NO)cnc23,mutagenic -303-47-9,C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,non-mutagenic -97606-15-0,N1C2C1c3cscc3c4cscc24,mutagenic -NOCAS_M191,Clc1ccc(CC[C@H]2CO2)cc1,mutagenic -134959-60-7,Cc1ccc(\N=C\c2cccc3cccnc23)c(c1)C(=O)O,non-mutagenic -121-69-7,CN(C)c1ccccc1,non-mutagenic -253-73-6,c1cnc2cnncc2c1,non-mutagenic -96-26-4,OCC(=O)CO,mutagenic -100-21-0,OC(=O)c1ccc(cc1)C(=O)O,non-mutagenic -20927-95-1,[O-][N+](=O)c1ccc2oc3ccccc3c2c1,mutagenic -553-24-2,CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1,mutagenic -114020-51-8,COc1cccc2c1CC(c3ccc4OCOc4c23)[N+](=O)[O-],mutagenic -528-75-6,[O-][N+](=O)c1ccc(C=O)c(c1)[N+](=O)[O-],mutagenic -6217-19-2,CCN(CC)c1ccc(cc1)[N+]#N,mutagenic -121-14-2,Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -1912-24-9,CCNc1nc(Cl)nc(NC(C)C)n1,non-mutagenic -162022-91-5,COc1nncc2ccncc12,non-mutagenic -NOCAS_M308,N[C@@H](Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O,non-mutagenic -69658-91-9,CN(N=O)c1cccnc1,non-mutagenic -101-72-4,CC(C)Nc1ccc(Nc2ccccc2)cc1,non-mutagenic -151910-75-7,OC1C=Cc2c(ccc3cc4c(cc23)C(O)C(O)c5ccccc45)C1O,non-mutagenic -4399-80-8,CC1(C)CC(C(=O)N)C(C)(C)N1O,non-mutagenic -159092-69-0,[O-][N+](=O)c1ccc2c(ccc3ccc(cc23)[N+](=O)[O-])c1,mutagenic -127-90-2,ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,mutagenic -1222-98-6,[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1,mutagenic -194-03-6,c1cc2ccc3cccc4ncc(c1)c2c34,mutagenic -67411-86-3,OCc1cc2ccccc2c3ccc4ccccc4c13,mutagenic -150446-03-0,Cc1c(\C=N\OCc2ccccc2)c3cc(ccc3n1Cc4cccc(c4)[N+](=O)[O-])[N+](=O)[O-],mutagenic -92-06-8,c1ccc(cc1)c2cccc(c2)c3ccccc3,non-mutagenic -110-72-5,CCNCCN,non-mutagenic -130942-88-0,Cc1c2ccccc2c(COS(=O)(=O)O)c3ccccc13,mutagenic -113163-24-9,C1Cc2ccc3cccnc3c2C4OC14,mutagenic -2045-52-5,CN(C)CCN(Cc1ccccc1)c2ccccc2,non-mutagenic -112-92-5,CCCCCCCCCCCCCCCCCCO,non-mutagenic -187585-11-1,COc1ccc(cc1N)C2=C(N)C(=O)c3ccccc3O2,mutagenic -6807-96-1,Oc1cc(O)c2C(=O)c3c(O)c4[C@@H]5C=CO[C@@H]5Oc4cc3C(=O)c2c1,mutagenic -98499-61-7,CSCNc1ccccc1C(=O)C,non-mutagenic -531-75-9,OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,non-mutagenic -117-79-3,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,mutagenic -98-30-6,CS(=O)(=O)c1ccc(O)c(N)c1,non-mutagenic -118244-44-3,CC(=CCC\C(=C\CC\C(=C\C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)\C)\C)C,non-mutagenic -27729-95-9,COc1ccc(cc1)[C@H]2O[C@@H]2C(=O)c3ccccc3,mutagenic -384-22-5,[O-][N+](=O)c1ccccc1C(F)(F)F,non-mutagenic -16650-32-1,Fc1ccc(F)c2ncccc12,mutagenic -24167-40-6,CCN(CC)CCn1nc2c3ccc(Cl)cc3Sc4c(CO)ccc1c24,mutagenic -129665-16-3,[O-][n+]1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -128669-18-1,CN1C=CN(CCOCC#C)C1\C=N\O,non-mutagenic -105708-73-4,CC(=O)OCc1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,mutagenic -6795-27-3,CC(=O)N\N=C\C1=CN(O)c2ccccc2N1O,mutagenic -NOCAS_M153,Cl[C@@H]1CN(C[C@H]1Cl)N=O,mutagenic -2243-62-1,Nc1cccc2c(N)cccc12,mutagenic -14919-77-8,NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,mutagenic -611-23-4,Cc1ccccc1N=O,mutagenic -60877-91-0,Oc1cccc(\C=N\c2snc3ccccc23)c1,mutagenic -835-71-2,Cc1ccc(cc1)c2oc3ccccc3n2,non-mutagenic -14204-98-9,CNc1ccc2ncccc2c1N,non-mutagenic -16169-16-7,ONc1ccc(cc1)[N+](=O)[O-],mutagenic -122-80-5,CC(=O)Nc1ccc(N)cc1,mutagenic -716-53-0,Clc1c2ccccc2cc3ccccc13,mutagenic -NOCAS_M295,CCCCOC[C@H]1CO1,mutagenic -85-98-3,CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,non-mutagenic -128-37-0,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic -58-19-5,CC1CC2(C)C(CCC3C4CCC(O)C4(C)CCC23)CC1=O,non-mutagenic -NOCAS_M559,CC[C@@H](C)N,non-mutagenic -62573-57-3,CCC(CC)c1cccc(OC(=O)N(C)N=O)c1,mutagenic -147974-61-6,CC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)C)ccc1N,mutagenic -97-18-7,Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,non-mutagenic -25413-64-3,CCCCN(CCC)N=O,mutagenic -116169-87-0,Cn1ccnc1N=O,mutagenic -130536-37-7,O1C2C=Cc3ncccc3C12,non-mutagenic -3688-79-7,COc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic -35945-34-7,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],mutagenic -57-92-1,CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O,mutagenic -26093-31-2,CC1=CC(=O)Oc2cc(N)ccc12,non-mutagenic -95331-48-9,CC(=O)N(O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic -90243-66-6,CC1SCC(NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)N,non-mutagenic -3366-61-8,CC(=O)Nc1ccc(cc1)c2ccc(N)cc2,mutagenic -834-28-6,NC(=N)N=C(N)NCCc1ccccc1,non-mutagenic -1155-38-0,Cc1c2C3OC3c4ccccc4c2cc5ccccc15,mutagenic -132172-57-7,OC1C=Cc2c(C1O)c3cc4ccccc4cc3c5ccccc25,mutagenic -NOCAS_M486,CCCC[C@@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@H](CC)CCCC,non-mutagenic -18024-11-8,Cc1ccc(C)c2c1c3ccccc3n2C,mutagenic -36099-26-0,C1O[C@@H]1c2ccc(cc2)c3ccccc3,mutagenic -527-17-3,CC1=C(C)C(=O)C(=C(C)C1=O)C,non-mutagenic -106-42-3,Cc1ccc(C)cc1,non-mutagenic -146-22-5,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,non-mutagenic -6325-54-8,ClCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -498-02-2,COc1cc(ccc1O)C(=O)C,non-mutagenic -95-87-4,Cc1ccc(C)c(O)c1,non-mutagenic -13345-62-5,Cc1c2ccccc2c(CCl)c3ccc4ccccc4c13,mutagenic -314084-63-4,CCc1cc(cc(CC)c1N)c2ccccc2,non-mutagenic -121625-58-9,CC1=CC2CCCCC2c3ccccc13,mutagenic -110044-40-1,Cc1cc2c3C4OC4C(O)C(O)c3ccc2c5ccccc15,non-mutagenic -71-23-8,CCCO,non-mutagenic -2798-25-6,COc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1,mutagenic -99-09-2,Nc1cccc(c1)[N+](=O)[O-],mutagenic -16757-81-6,Cc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic -11042-64-1,COc1cc(\C=C\C(=O)OC2CCC34CC35CCC6(C)C(CCC6(C)C5CCC4C2(C)C)C(C)CCC=C(C)C)ccc1O,non-mutagenic -7319-59-7,CC(=O)OC1Cc2c(C)ccc3cc4c(ccc5ccccc45)c1c23,mutagenic -NOCAS_M186,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@@H](O)[C@@H](C)NC(=O)[C@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCN=C(N)N,mutagenic -22181-94-8,CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2ncnc12,non-mutagenic -NOCAS_M412,CCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic -70-34-8,[O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],mutagenic -5381-79-3,Cn1cnc2ccc(cc12)[N+](=O)[O-],mutagenic -57541-73-8,Br[C@H]1CCN(C[C@@H]1Br)N=O,mutagenic -67019-20-9,CCC(=O)Nc1snc2ccccc12,non-mutagenic -86-42-0,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,non-mutagenic -69686-05-1,C[C@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic -67-66-3,ClC(Cl)Cl,non-mutagenic -142713-63-1,COc1ccc(CNC(=O)C(C)Br)cc1,mutagenic -477-30-5,CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,non-mutagenic -118-74-1,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -67587-52-4,OC1CN(CCO1)N=O,mutagenic -6943-00-6,Clc1ccc(cc1)N2C(=O)CCC2=O,non-mutagenic -220168-45-6,Clc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -6483-86-9,OS(=O)(=O)c1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1,mutagenic -10087-89-5,O=C(NC1CCCCC1)OC(C#C)(c2ccccc2)c3ccccc3,mutagenic -10387-13-0,ClCc1c2ccccc2c(CCl)c3ccccc13,mutagenic -55380-34-2,C[C@@H]1CN(C[C@H](C)N1N=O)N=O,mutagenic -98-46-4,[O-][N+](=O)c1cccc(c1)C(F)(F)F,non-mutagenic -111955-22-7,OC1COC(NCCc2c[nH]c3ccccc23)C(O)C1O,mutagenic -327-97-9,O[C@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O,non-mutagenic -116-66-5,Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],non-mutagenic -133960-22-2,COC(=O)c1oc(N(O)C(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic -NOCAS_M235,O[C@H]1CO[C@H]([C@H](O)[C@@H]1O)N(N=O)c2ccc(cc2)[N+](=O)[O-],mutagenic -484-78-6,NC(CC(=O)c1cccc(O)c1N)C(=O)O,non-mutagenic -50-00-0,C=O,mutagenic -56222-35-6,O[C@@H]1CCN(C1)N=O,mutagenic -132-27-4,Oc1ccccc1c2ccccc2,non-mutagenic -18172-33-3,CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O,mutagenic -107673-65-4,[O-][N+](=O)C1=Cc2c3c1cccc3cc4ccc5ccccc5c24,mutagenic -24930-41-4,c1ccc2c(c1)nc3ccc4cccc5ccc2c3c45,mutagenic -52021-61-1,CC(=O)OCC[C@@H](C=O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O,mutagenic -146795-26-8,COc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic -116-31-4,C\C(=C\C=O)\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C,mutagenic -115655-93-1,CC(=CCC[C@@](C)(O)[C@H]1CCC=CC1=O)C,mutagenic -43047-59-2,CCN(CC)CCn1nc2ccc(CO)c3c4ccc(Cl)cc4Sc1c23,mutagenic -94-45-1,CCOc1ccc2nc(N)sc2c1,mutagenic -1260-17-9,Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(O)c3C(=O)c12,mutagenic -1918-00-9,COc1c(Cl)ccc(Cl)c1C(=O)O,non-mutagenic -56980-94-0,CC(=O)c1cc(N)ccc1OCC(O)CNC(C)(C)C,non-mutagenic -16423-68-0,Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,non-mutagenic -1468-95-7,OCc1c2ccccc2cc3ccccc13,mutagenic -75-75-2,CS(=O)(=O)O,non-mutagenic -2050-92-2,CCCCCNCCCCC,non-mutagenic -146-56-5,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic -23043-62-1,Nc1ccc2nc3ccccc3c(N)c2c1,mutagenic -7790-98-9,[O-]Cl(=O)(=O)=O,non-mutagenic -98-55-5,CC1=CCC(CC1)C(C)(C)O,non-mutagenic -2226-96-2,CC1(C)CC(O)CC(C)(C)N1O,mutagenic -126370-99-8,COc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic -154-41-6,C[C@@H](N)[C@@H](O)c1ccccc1,non-mutagenic -106-23-0,CC(CCC=C(C)C)CC=O,non-mutagenic -6850-22-2,Cn1cc2ccc(cc2n1)[N+](=O)[O-],mutagenic -73936-27-3,Fc1ccc(cc1)C(=O)[C@H]2O[C@@H]2c3ccccc3,mutagenic -117-84-0,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,non-mutagenic -17924-92-4,C[C@H]1CCCC(=O)CCC\C=C/c2cc(O)cc(O)c2C(=O)O1,non-mutagenic -135-51-3,Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -89641-97-4,[O-][N+](=O)c1cccc2cnsc12,mutagenic -852-20-0,Oc1c(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-],non-mutagenic -70021-99-7,[O-][N+](=O)c1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic -139953-78-9,COC(=O)c1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic -2746-81-8,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic -96918-27-3,[O-][N+](=O)c1oc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic -86831-65-4,CCN(CC)N(O)N=O,mutagenic -6287-38-3,Clc1ccc(C=O)cc1Cl,non-mutagenic -75965-74-1,COc1ccc2c(ccc3oc(cc23)[N+](=O)[O-])c1,mutagenic -16339-07-4,CN1CCN(CC1)N=O,mutagenic -34049-50-8,CNc1ccc(cc1)N=Nc2ccc(NC)cc2,non-mutagenic -6149-34-4,Nc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -94-81-5,Cc1cc(Cl)ccc1OCCCC(=O)O,non-mutagenic -110-80-5,CCOCCO,non-mutagenic -632-79-1,Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,non-mutagenic -94-52-0,[O-][N+](=O)c1ccc2[nH]cnc2c1,mutagenic -552-89-6,[O-][N+](=O)c1ccccc1C=O,mutagenic -99-96-7,OC(=O)c1ccc(O)cc1,non-mutagenic -68-22-4,CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,non-mutagenic -99-34-3,OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -24938-64-5,Nc1ccc(NC(=O)c2ccc(cc2)C(=O)O)cc1,non-mutagenic -6029-82-9,C\C=C(/C)\C(=O)OC1CCN2CC=C(CO)C12,non-mutagenic -79-01-6,ClC=C(Cl)Cl,non-mutagenic -23245-64-9,[O-][N+](=O)c1cccc2c(cccc12)C#N,mutagenic -41069-00-5,[O-][N+](=O)c1ccc(cc1)C(=O)[C@H]2O[C@@H]2c3ccccc3,mutagenic -67-48-1,C[N+](C)(C)CCO,non-mutagenic -130796-74-6,OCC1OC(C(O)C1O)n2cnc3c(NCC(O)COc4cccc5ccccc45)ncnc23,non-mutagenic -58430-01-6,Cc1cc2nc3c(ccc4ccccc34)c(C)c2cc1C,mutagenic -107-86-8,CC(=CC=O)C,non-mutagenic -2648-51-3,ClC(=CC=O)Cl,mutagenic -23703-14-2,C(C1CO1)c2ccc(cc2)c3ccccc3,mutagenic -NOCAS_M539,CCCCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic -11012-59-2,C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C=C(\C)/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O,non-mutagenic -118517-20-7,CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H]4N(N5C(=O)c6ccccc6C5=O)[C@@]47C[C@H](CC[C@]7(C)[C@H]3CC[C@]12C)OC(=O)C,mutagenic -89-57-6,Nc1ccc(O)c(c1)C(=O)O,non-mutagenic -603-34-9,c1ccc(cc1)N(c2ccccc2)c3ccccc3,non-mutagenic -57333-96-7,CC(C)C(O)CCC(C)C1CCC2\C(=C\C=C\3/CC(O)CC(O)C3=C)\CCCC12C,non-mutagenic -824-69-1,Oc1cc(Cl)c(O)cc1Cl,non-mutagenic -77-99-6,CCC(CO)(CO)CO,non-mutagenic -4861-85-2,CC(C)OC(=O)Cc1ccccc1,non-mutagenic -104010-37-9,CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3)\c4csc(N)n4,non-mutagenic -7119-89-3,[O-][N+](=O)C(Cl)Cl,mutagenic -87-25-2,CCOC(=O)c1ccccc1N,non-mutagenic -38915-58-1,ClCCNCCCNc1c2ccccc2nc3c1ccc4cccnc34,mutagenic -123442-39-7,COc1cc2OC(=C(O)C(=O)c2cc1OC)c3ccc(O)cc3,non-mutagenic -120-66-1,CC(=O)Nc1ccccc1C,mutagenic -143-67-9,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,non-mutagenic -110004-69-8,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccc(cc3nc4c(C)cccc24)N=N#N,mutagenic -17902-23-7,FC1=CN(C2CCCO2)C(=O)NC1=O,non-mutagenic -151-56-4,C1CN1,mutagenic -116355-84-1,CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic -92116-66-0,Cc1cnc2ccc3c(ncn3C)c2n1,non-mutagenic -134109-02-7,OC1C=Cc2cc3c(ccc4ccccc34)c(Cl)c2C1O,non-mutagenic -132-64-9,o1c2ccccc2c3ccccc13,non-mutagenic -874-60-2,Cc1ccc(cc1)C(=O)Cl,mutagenic -123-75-1,C1CCNC1,non-mutagenic -4075-79-0,CC(=O)Nc1ccc(cc1)c2ccccc2,mutagenic -2085-88-3,CC1(CO1)c2ccccc2,mutagenic -1516-71-8,Cn1c(N=N#N)nc2c3ccccc3ccc12,mutagenic -101821-43-6,NC(=N)c1ccc2c(N)c([nH]c2c1)C(=N)N,non-mutagenic -NOCAS_M475,O[C@H]1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,non-mutagenic -64099-27-0,COc1nsc2c(N)cccc12,mutagenic -592-62-1,CC(=O)OCN=[N+](C)[O-],non-mutagenic -187537-22-0,CC(=O)NCC(O)COc1cccc2ccccc12,non-mutagenic -17075-03-5,Nc1cc2cccc3ccc4cccc1c4c23,mutagenic -463-04-7,CCCCCON=O,mutagenic -109-21-7,CCCCOC(=O)CCC,non-mutagenic -25013-16-5,COc1ccc(O)cc1C(C)(C)C,non-mutagenic -87185-24-8,[O-][N+](=O)c1cc2cccc(c2cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -57409-54-8,CC(Br)(CO)CBr,non-mutagenic -3033-77-0,C[N+](C)(C)CC1CO1,mutagenic -128753-99-1,CC12OOC1(COC(=O)Nc3ccc(Cl)cc3)Oc4ccccc24,mutagenic -109-02-4,CN1CCOCC1,non-mutagenic -39781-21-0,Cc1ccc(cc1C)N=Nc2c(O)ccc3ccccc23,non-mutagenic -58336-35-9,O=C1Oc2c3CCCN4CCCc(cc2C=C1)c34,mutagenic -541-59-3,O=C1NC(=O)C=C1,mutagenic -103393-70-0,ClCc1cc2c3ccccc3c4cccc(c1)c24,mutagenic -125369-79-1,Clc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N,mutagenic -2586-60-9,Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(N)ccc6cc(cc(O)c56)S(=O)(=O)O)S(=O)(=O)O,mutagenic -534-07-6,ClCC(=O)CCl,mutagenic -134308-13-7,Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-],non-mutagenic -1239-45-8,CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,mutagenic -159092-74-7,[O-][N+](=O)c1cccc2cc(c3ccccc3c12)[N+](=O)[O-],mutagenic -502-65-8,CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)\C)\C)\C)C,non-mutagenic -64808-48-6,OC(=O)c1ccccc1Nc2cc(Cl)ccc2C(=O)O,non-mutagenic -108-73-6,Oc1cc(O)cc(O)c1,non-mutagenic -72-14-0,Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,non-mutagenic -13164-04-0,CC(C)(O)C1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C,mutagenic -2457-47-8,Clc1cncc(Cl)c1,non-mutagenic -100129-07-5,CC(Br)C(=O)N(C)Cc1ccccc1,non-mutagenic -756-79-6,COP(=O)(C)OC,non-mutagenic -67-64-1,CC(=O)C,non-mutagenic -31698-14-3,OC[C@H]1O[C@H]2[C@@H](OC3=NC(=N)C=CN23)[C@@H]1O,non-mutagenic -60-24-2,OCCS,non-mutagenic -736-31-2,[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -70786-65-1,CC(=O)N(O)c1ccccc1C,mutagenic -64810-99-7,OS(=O)(=O)Oc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic -NOCAS_M247,CC(C)(C)OC(=O)[C@H](N)CN=[N+]=[N-],mutagenic -16452-01-0,COc1cc(N)ccc1C,mutagenic -110520-17-7,c1ccc2c(c1)c3ccccc3c4cc5cnccc5cc24,mutagenic -132663-51-5,CCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic -158729-22-7,Clc1ccccc1NS(=O)(=O)c2cccc3cccnc23,non-mutagenic -148193-30-0,Nc1ccc2snc(Cl)c2c1,mutagenic -26921-17-5,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,non-mutagenic -106671-91-4,Clc1ccc(cc1)c2nc3sccn3c2N=O,mutagenic -128753-94-6,OCC12OOC1(CO)c3ccccc3O2,non-mutagenic -NOCAS_M136,CC[C@@H](C)NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -84-65-1,O=C1c2ccccc2C(=O)c3ccccc13,mutagenic -64201-63-4,O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)C(=O)O)N(O)c2ccc(cc2)c3ccccc3,mutagenic -484-29-7,COc1c2ccoc2nc3ccccc13,mutagenic -121010-10-4,CC(C)(C)NCC(O)COc1ccccc1C2=CCCC2,non-mutagenic -4635-87-4,C\C=C\CC#N,non-mutagenic -41093-60-1,C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)O,non-mutagenic -74-96-4,CCBr,mutagenic -10228-40-7,Cc1cc(O)c2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c1,non-mutagenic -NOCAS_M168,C[C@@H](O)CBr,mutagenic -109875-47-0,Nc1nc(nc2c1ncn2C3OC(CO)C(O)C3O)c4cccc(c4)[N+](=O)[O-],mutagenic -188699-57-2,COc1nc2cccc(CBr)c2nc1OC,mutagenic -51938-12-6,CCCN(CCCCO)N=O,mutagenic -32066-79-8,Cc1ccc(cc1)[N+]#N,mutagenic -23282-20-4,CC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(CO)C(O)C1=O,non-mutagenic -612-23-7,[O-][N+](=O)c1ccccc1CCl,mutagenic -24385-10-2,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(O)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic -166546-20-9,CN1CCN(CC1)c2ccc3[nH]c(Cc4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl)nc3c2,non-mutagenic -624-83-9,CN=C=O,non-mutagenic -64-69-7,OC(=O)CI,mutagenic -13345-21-6,Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic -106-97-8,CCCC,non-mutagenic -161696-99-7,CNc1ccc2nc(C)cnc2c1C,mutagenic -1488-21-7,C1CC23OC2(C1)C=CC=C3,mutagenic -135086-91-8,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(cc4)[N+](=O)[O-],mutagenic -83-44-3,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,mutagenic -92-66-0,Brc1ccc(cc1)c2ccccc2,non-mutagenic -19331-27-2,[O-][N+](=O)c1ccc2c(Cl)nsc2c1,mutagenic -4298-16-2,CN[C@@H](C)Cc1ccccc1,non-mutagenic -99-99-0,Cc1ccc(cc1)[N+](=O)[O-],non-mutagenic -173450-39-0,CCOCCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCCOCC)ccc1N,non-mutagenic -25917-90-2,COc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic -2580-78-1,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O,mutagenic -78-97-7,CC(O)C#N,non-mutagenic -98931-07-8,CC1CC2C(Cc3cn(CC=C)c4cccc2c34)N(C1)C#N,mutagenic -56183-12-1,OC1C(O)c2cccc3ccc4cccc1c4c23,non-mutagenic -3688-53-7,NC(=O)\C(=C/c1oc(cc1)[N+](=O)[O-])\c2occc2,mutagenic -127923-98-2,OC(C(O)C(=O)OCCBr)C(=O)OCCBr,mutagenic -50-70-4,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,non-mutagenic -119143-43-0,C1Cc2ccc3ncccc3c2C4OC14,mutagenic -61203-01-8,CC(=O)C(=C)Br,mutagenic -538-74-9,C(SCc1ccccc1)c2ccccc2,non-mutagenic -163275-62-5,Fc1cnc2c(c1)cc(F)c3ccccc23,non-mutagenic -34424-65-2,CC(O)\C=C\C=O,mutagenic -150446-02-9,Cc1c(\C=N\OCc2ccc(Cl)cc2)c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],non-mutagenic -63019-40-9,Oc1cccc2ccc3c4ccccc4ccc3c12,mutagenic -50-18-0,ClCCN(CCCl)[P@]1(=O)NCCCO1,mutagenic -108670-79-7,CC\C=C\C=C\C=C\C=C\C=O,non-mutagenic -134-29-2,COc1ccccc1N,mutagenic -NOCAS_M93,C[C@H]1CS(=O)(=O)CCN1\N=C\c2oc(cc2)[N+](=O)[O-],mutagenic -145-49-3,Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,mutagenic -30095-63-7,CCC1(C)CO1,non-mutagenic -922-63-4,CCC(=C)C=O,mutagenic -60877-83-0,Oc1ccc(\C=N\c2snc3c(Cl)cc(Cl)cc23)cc1,mutagenic -87-29-6,Nc1ccccc1C(=O)OC\C=C\c2ccccc2,non-mutagenic -91-63-4,Cc1ccc2ccccc2n1,mutagenic -124-48-1,ClC(Br)Br,non-mutagenic -91137-28-9,Cc1ccc2ccc(cc2c1)[N+](=O)[O-],mutagenic -80909-78-0,CC1(CO1)c2ccc(Br)cc2,non-mutagenic -548-04-9,Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56,non-mutagenic -108-18-9,CC(C)NC(C)C,non-mutagenic -2016-88-8,NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,mutagenic -4403-61-6,C\C=C(\C)/C#N,non-mutagenic -27776-01-8,Cc1ccc(Cc2ccccc2)cc1,non-mutagenic -98736-47-1,CN(Cc1cccc(Br)c1)N=O,mutagenic -116505-02-3,CC(=O)ON(C(=O)C)c1ccc(Sc2ccccc2)cc1,mutagenic -NOCAS_M464,CCC[C@@H](O)[C@@H](CC)CO,non-mutagenic -13114-72-2,CNC(=O)N(c1ccccc1)c2ccccc2,non-mutagenic -NOCAS_M139,C1C[C@@H]2O[C@@H]2C[C@@H]1[C@H]3CO3,mutagenic -108-90-7,Clc1ccccc1,non-mutagenic -97-32-5,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,mutagenic -81-20-9,Cc1cccc(C)c1[N+](=O)[O-],non-mutagenic -133831-60-4,[O-][N+](=O)c1ccccc1SSC(=C(Cl)Cl)Cl,mutagenic -6369-59-1,Cc1cc(NOS(=O)(=O)O)ccc1N,mutagenic -69-74-9,NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,non-mutagenic -4873-56-7,CC(C)COS(=O)(=O)c1ccc(C)cc1,non-mutagenic -112022-07-8,CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Sc12,mutagenic -55256-53-6,CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4c(OC5OC=CC45O)cc3Oc12,mutagenic -91-13-4,BrCc1ccccc1CBr,non-mutagenic -119-36-8,COC(=O)c1ccccc1O,mutagenic -110-52-1,BrCCCCBr,mutagenic -4238-71-5,C(c1ccccc1)n2ccnc2,mutagenic -1464-53-5,CCC12OC1O2,mutagenic -67-03-8,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,non-mutagenic -50-89-5,CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,non-mutagenic -105802-11-7,Cc1c(c2ccccc2c3ccc4ccccc4c13)[N+](=O)[O-],mutagenic -494-90-6,CC1CCc2c(C)coc2C1,non-mutagenic -32828-84-5,CN(C)C1Cc2cccc3cccc(C1)c23,mutagenic -131841-09-3,COCCOCCOP1(NP(NP(N1)(OCCOCCOC)OCCOCCOC)(OCCOCCOC)OCCOCCOC)OCCOCCOC,non-mutagenic -99766-47-9,CCc1cccc(CC)c1N=O,mutagenic -118-55-8,Oc1ccccc1C(=O)Oc2ccccc2,non-mutagenic -118354-50-0,COc1ccc2C3OC3C4CCCCC4c2c1,non-mutagenic -NOCAS_M156,CC[C@@H](O)\C=C\C=C\C=C\C=C\C=O,mutagenic -581-28-2,Nc1ccc2nc3ccccc3cc2c1,mutagenic -10184-51-7,Cn1cnc2C(=N)[N+](=O)[CH-]Nc12,mutagenic -394-68-3,Fc1cccc2cccnc12,mutagenic -142044-41-5,OC1CC=Cc2cccnc12,non-mutagenic -115664-50-1,Oc1ccc2c3ccccc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic -119584-53-1,O=C(CN1C(=O)Sc2ccccc12)OCc3ccccc3,non-mutagenic -1795-83-1,CC(=O)N(O)c1ccccc1,non-mutagenic -20020-02-4,Clc1c(Cl)c(Cl)c2ccccc2c1Cl,non-mutagenic -1805-02-3,COc1ccc2c(c1)nc(N)n2C,mutagenic -110207-65-3,CCOC(=O)c1c2c(nn[n+]1[O-])c3ccccc3n2C,mutagenic -64188-64-3,C(N1C2C1c3ccccc3c4ccccc24)c5ccccc5,mutagenic -6051-98-5,O=C1c2ccccc2c3c1ccc4ccccc34,mutagenic -1120-21-4,CCCCCCCCCCC,non-mutagenic -611-53-0,NC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2,non-mutagenic -56719-24-5,COC(=O)\C(=C(/OP(=O)(OC)OC)\c1cc(Cl)ccc1Cl)\Cl,non-mutagenic -73-03-0,Nc1ncnc2c1ncn2C3OC(CO)CC3O,mutagenic -93943-58-9,CC(CC1=C(COC1O)C=O)C2=CCC(C)(C)C2,non-mutagenic -NOCAS_M264,OC[C@H](Cl)CCl,mutagenic -1609-47-8,CCOC(=O)OC(=O)OCC,non-mutagenic -4816-14-2,NC(=N)c1ccc(cc1)c2cc3ccc(cc3s2)C(=N)N,non-mutagenic -6926-47-2,N#N=NC(c1ccccc1)c2ccccc2,mutagenic -108-50-9,Cc1cncc(C)n1,mutagenic -106532-70-1,CCCCCCCCCC(=O)\N=C\1/SN(C(=O)CCCCCCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic -NOCAS_M294,FC[C@H]1CO1,mutagenic -17372-87-1,OC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,mutagenic -108319-06-8,CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,mutagenic -163275-66-9,Fc1cccc2c1ccc3ncccc23,mutagenic -51-52-5,CCCc1cc(O)nc(S)n1,non-mutagenic -134998-79-1,[O-][N+](=O)c1cc2cccc3c4CCCCc4c5cccc1c5c23,mutagenic -2416-94-6,Cc1ccc(C)c(O)c1C,non-mutagenic -125701-97-5,COc1ccc(cc1)c2nc([nH]c2c3ccc(OC)cc3)c4ccc(C)cc4C,mutagenic -125974-01-8,ClCC1=C(Cl)C(=O)OC1,mutagenic -2277-92-1,Oc1c(Cl)cc(Cl)cc1NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl,non-mutagenic -98-92-0,NC(=O)c1cccnc1,non-mutagenic -151109-62-5,O[C@H]1C=Cc2c(ccc3c4CCC(=O)c4cc(c23)C(F)(F)F)[C@@H]1O,mutagenic -140-03-4,CCCCCCC(C\C=C\CCCCCCCC(=O)OC)OC(=O)C,non-mutagenic -563-12-2,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,non-mutagenic -111-83-1,CCCCCCCCBr,non-mutagenic -57074-49-4,CCO[C@@H]1C[C@@H]2[C@@H](C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@]2(C)[C@H](OCC)O1,mutagenic -3031-74-1,CCOO,mutagenic -575-43-9,Cc1ccc2c(C)cccc2c1,non-mutagenic -1152-48-3,[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccccc2,mutagenic -96-64-0,CC(OP(=O)(C)F)C(C)(C)C,non-mutagenic -NOCAS_M345,C[C@@H](CN1c2ccccc2Sc3ccccc13)N(C)C,non-mutagenic -16306-16-4,Oc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic -60991-01-7,[O-][N+](=O)c1cccc(\C=N\c2snc3ccccc23)c1,mutagenic -139259-92-0,CC(=O)ON(OCc1ccc(Oc2ccccc2)cc1)C(=O)c3ccccc3,mutagenic -76-15-3,FC(F)(F)C(F)(F)Cl,non-mutagenic -97389-17-8,Cc1cnc2c(cc(C)c3c2nc(N)n3C)n1,mutagenic -86854-01-5,O=C1c2c(ccc3ccccc23)c4ccc5ccccc5c14,non-mutagenic -92279-99-7,COc1cccc2c(NCCCNCCCl)c3ccccc3nc12,mutagenic -480-81-9,C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,mutagenic -6638-64-8,[O-][N+](=O)c1ccc2c(OC(=O)c3ccccc23)c1,mutagenic -298-81-7,COc1c2OC(=O)C=Cc2cc3ccoc13,mutagenic -70-18-8,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,mutagenic -933-75-5,Oc1c(Cl)ccc(Cl)c1Cl,non-mutagenic -63785-41-1,OS(=O)(=O)Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,non-mutagenic -NOCAS_M282,C(Oc1cccc(OC[C@H]2CO2)c1)[C@H]3CO3,mutagenic -133-49-3,Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -NOCAS_M19,O1[C@H]2C=Cc3cccnc3[C@@H]12,mutagenic -530-75-6,CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O,non-mutagenic -78-38-6,CCOP(=O)(CC)OCC,non-mutagenic -140-66-9,CC(C)(C)CC(C)(C)c1ccc(O)cc1,non-mutagenic -13104-21-7,COP(=O)(OC)O\C(=C/Br)\c1ccc(Cl)cc1Cl,non-mutagenic -137-17-7,Cc1cc(C)c(N)cc1C,mutagenic -81-49-2,Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,mutagenic -NOCAS_M500,CCCCCCCC[C@H]1CO1,non-mutagenic -126-33-0,O=S1(=O)CCCC1,non-mutagenic -119613-62-6,CCc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic -94574-56-8,CC(=O)OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -69657-89-2,CCc1ccccc1Nc2ccc(Nc3ccccc3CC)c4C(=O)c5c(O)ccc(O)c5C(=O)c24,mutagenic -28352-32-1,C1CCC2C(C1)C3OC3c4ccccc24,non-mutagenic -522-19-0,COc1cc(OC)c2nc3occc3c(OC)c2c1,mutagenic -18028-56-3,Cc1ccc2[nH]c3c(C)ccc(C)c3c2c1,mutagenic -6441-91-4,Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,non-mutagenic -3058-37-5,CN=NO,mutagenic -159092-79-2,[O-][N+](=O)c1ccc2c3cccc(c3cc(c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -101-77-9,Nc1ccc(Cc2ccc(N)cc2)cc1,mutagenic -124-09-4,NCCCCCCN,non-mutagenic -3029-19-4,O=Cc1ccc2ccc3cccc4ccc1c2c34,mutagenic -109-57-9,NC(=S)NCC=C,non-mutagenic -55256-57-0,CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4C5C=COC5Oc4cc3Oc12,mutagenic -1030-27-9,CN(C)c1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic -17526-17-9,CCOCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -NOCAS_M533,CCO[P@](=O)(NC(C)C)Oc1ccc(SC)c(C)c1,non-mutagenic -98601-02-6,Cc1cc2c(O)cccc2c3cc4C(O)C(O)C=Cc4cc13,mutagenic -885-11-0,CN1N(C(=O)C(=C1C)N=O)c2ccccc2,mutagenic -5234-68-4,CC1=C(SCCO1)C(=O)Nc2ccccc2,non-mutagenic -823-40-5,Cc1c(N)cccc1N,mutagenic -120042-13-9,CC(N)(CN=[N+]=[N-])C(=O)O,mutagenic -66552-77-0,Cc1cc2c(C)c3ccccc3c(C)c2cc1C,mutagenic -5557-27-7,COc1cc(OC)c2C(=O)c3c(O)ccc(OC)c3Oc2c1,mutagenic -434-07-1,C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=C(C[C@]4(C)[C@H]3CC[C@]12C)C=O)O,non-mutagenic -3179-90-6,OCCNc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic -117929-14-3,[O-][N+](=O)c1cc2CCc3cccc4ccc(c1)c2c34,mutagenic -56856-83-8,CN(COC(=O)C)N=O,mutagenic -68162-37-8,COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\[N+](=O)[O-],mutagenic -13810-83-8,OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,non-mutagenic -134959-55-0,O=C(OCc1ccccc1)c2cccc3cccnc23,non-mutagenic -138580-48-0,CN1CCN(CC1)C2=CC(=O)c3[nH]c(C)c4c5ccccc5nc4c3C2=O,mutagenic -NOCAS_M30,O1[C@@H]2C=CC=C[C@H]12,mutagenic -2922-83-0,NC(CC(=O)c1ccccc1N)C(=O)O,non-mutagenic -57-68-1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,non-mutagenic -212-54-4,C1c2ccccc2c3ccc4ccc5ccccc5c4c13,mutagenic -91-59-8,Nc1ccc2ccccc2c1,mutagenic -613-47-8,ONc1ccc2ccccc2c1,mutagenic -199536-82-8,ClC1=C(COC1=O)C(Br)Br,mutagenic -99-76-3,COC(=O)c1ccc(O)cc1,non-mutagenic -27451-21-4,CC(=O)N(O)c1ccc(C)cc1,non-mutagenic -111-92-2,CCCCNCCCC,non-mutagenic -62641-68-3,CCOC(=O)N(CCO)N=O,mutagenic -173450-36-7,CCCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCCC)ccc1N,non-mutagenic -135-19-3,Oc1ccc2ccccc2c1,non-mutagenic -87-82-1,Brc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic -91549-71-2,CN(C)CCNC(=O)c1ccc2c(N)c3ccccc3nc2c1,non-mutagenic -57471-01-9,CC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1OCC(O)CNC(C)(C)C,non-mutagenic -19111-89-8,CN(C)C(N(C)C)(c1ccccc1)c2ccccc2,non-mutagenic -144-82-1,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,non-mutagenic -580-20-1,Oc1ccc2cccnc2c1,non-mutagenic -NOCAS_M467,CC(C)(Oc1ccc(cc1)[C@H]2CCCc3ccccc23)C(=O)O,non-mutagenic -91379-15-6,CCCC\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic -6217-22-7,O=C1C(=O)c2cccc3ccc4cccc1c4c23,non-mutagenic -55984-51-5,CN(CC(=O)C)N=O,mutagenic -26444-49-5,Cc1cccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)c1,non-mutagenic -6926-44-9,[N-]=[N+]=NCCc1ccccc1,mutagenic -1211-40-1,Nc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],mutagenic -112022-10-3,CN(C)CCNC(=O)c1cccc2Oc3ccccc3Oc12,mutagenic -144-83-2,Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic -2122-77-2,OCCOc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -75-21-8,C1CO1,mutagenic -84174-22-1,CN(Cc1ccc(Cl)cc1)N=O,mutagenic -152-18-1,COP(=S)(OC)OC,non-mutagenic -83-46-5,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,non-mutagenic -94740-40-6,CC(=O)N1CCC[C@H]1C(=O)N(CC(=O)O)N=O,mutagenic -50656-61-6,CC1C=C(C=O)C(=CC2CC(C)(C)CC12)C=O,non-mutagenic -124390-37-0,Cc1cc2ccccc2c3cc(c4ccccc4c13)[N+](=O)[O-],mutagenic -126370-98-7,COc1cccc(CN2C3C2c4ccccc4c5ccccc35)c1,mutagenic -128-39-2,CC(C)(C)c1cccc(c1O)C(C)(C)C,non-mutagenic -14628-90-1,COC1=CC=C(C=CC1=O)[N+](=O)[O-],mutagenic -23355-97-7,C[C@@H]1O[C@H]1c2ccccc2,non-mutagenic -1214-39-7,C(Nc1[nH]cnc2ncnc12)c3ccccc3,non-mutagenic -38861-78-8,CC(C)Cc1ccc(cc1)C(=O)C,non-mutagenic -61477-96-1,CCN1CCN(C(=O)NC(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,non-mutagenic -98911-08-1,CC(=O)N(O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic -525-64-4,Nc1ccc2c(Cc3cc(N)ccc23)c1,mutagenic -53693-68-8,CCN(CC)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(cc4)N(CC)CC,non-mutagenic -80115-73-7,CCC(=O)N(O)c1ccc(cc1)c2ccccc2,mutagenic -79560-36-4,COCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -36193-75-6,Nc1cnc2ccc3ccccc3c2c1,mutagenic -55-55-0,CNc1ccc(O)cc1,mutagenic -142-83-6,C\C=C/C=C\C=O,mutagenic -524-42-5,O=C1C=Cc2ccccc2C1=O,mutagenic -132832-26-9,OC1C2OC2c3cc4c5ccccc5c6ccccc6c4cc3C1O,mutagenic -NOCAS_M535,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@H]1NC(=O)C)C(=O)N)C(=O)O,non-mutagenic -2314-61-6,S=C1SC=C(S1)c2ccccc2,non-mutagenic -71-43-2,c1ccccc1,non-mutagenic -4938-72-1,CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -933-78-8,Oc1cc(Cl)cc(Cl)c1Cl,non-mutagenic -105553-32-0,CN(N=O)N(C(=O)\C(=N/O)\C(=O)C)c1ccccc1,mutagenic -55-38-9,COP(=S)(OC)Oc1ccc(SC)c(C)c1,non-mutagenic -7493-63-2,Nc1ccccc1C(=O)OCC=C,non-mutagenic -520-26-3,COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,non-mutagenic -NOCAS_M392,C=C[C@H]1CCC=CC1,non-mutagenic -16804-85-6,C1CCC2C(C1)C=Cc3ccccc23,mutagenic -1088-56-8,CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13,mutagenic -NOCAS_M472,NC(=O)CN1C[C@H](O)CC1=O,non-mutagenic -110-94-1,OC(=O)CCCC(=O)O,non-mutagenic -97-53-0,COc1cc(CC=C)ccc1O,non-mutagenic -95791-46-1,Clc1cc2c3ccccc3ccc2c4ccccc14,mutagenic -96-17-3,CCC(C)C=O,non-mutagenic -13071-79-9,CCOP(=S)(OCC)SCSC(C)(C)C,non-mutagenic -1300-72-7,Cc1ccc(cc1C)S(=O)(=O)O,non-mutagenic -102059-18-7,CC(=O)Nc1ccc(\C=C\C(=O)c2ccccc2)cc1,mutagenic -3524-68-3,OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,non-mutagenic -120-80-9,Oc1ccccc1O,non-mutagenic -107817-59-4,NC(CSC\C=C\Cl)C(=O)O,non-mutagenic -NOCAS_M111,CC(=O)O[C@@H]1Cc2c3ccc4ccccc4c3cc5ccc(C)c1c25,mutagenic -32795-84-9,Brc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -879-39-0,[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -5296-38-8,C(Oc1ccc(Cc2ccccc2)cc1)C3CO3,mutagenic -55556-92-8,O=NN1CCC=CC1,mutagenic -275795-16-9,CC(C)(C)c1cc(ccc1N=O)c2ccccc2,mutagenic -26471-62-5,Cc1cc(cc(c1)C#N=O)C#N=O,mutagenic -60967-89-7,O[C@@H]1C=Cc2c(ccc3cc4ccccc4cc23)[C@H]1O,mutagenic -19996-03-3,ClCc1c2ccccc2c(Cl)c3ccccc13,mutagenic -42713-66-6,N[C@H](CCCN(N=O)C(=O)N)C(=O)O,mutagenic -96018-75-6,ON(C=O)c1cccc(Cl)c1,non-mutagenic -17455-23-1,C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1,non-mutagenic -3290-92-4,CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,mutagenic -78658-61-4,CCCCN(CC(O)c1ccc(O)cc1)N=O,non-mutagenic -53499-68-6,CNc1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,mutagenic -6755-16-4,CCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -84-69-5,CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,non-mutagenic -129117-54-0,COc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1,mutagenic -55-80-1,CN(C)c1ccc(cc1)N=Nc2cccc(C)c2,mutagenic -24085-06-1,CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,mutagenic -57470-78-7,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,non-mutagenic -1684-40-8,Nc1c2CCCCc2nc3ccccc13,mutagenic -535-83-1,C[n+]1cccc(c1)C(=O)O,non-mutagenic -86-00-0,[O-][N+](=O)c1ccccc1c2ccccc2,non-mutagenic -NOCAS_M334,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C,non-mutagenic -88847-89-6,Nc1nc(O)c2nc(O)n(C3CC(O)C(CO)O3)c2n1,non-mutagenic -35509-27-4,N#Cc1cccc2cccnc12,mutagenic -25870-67-1,[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -1768-31-6,ClC(Cl)C(=O)C(Cl)(Cl)Cl,mutagenic -108278-71-3,NC(=O)N(CCC(=O)O)N=O,mutagenic -105-13-5,COc1ccc(CO)cc1,non-mutagenic -39147-43-8,Oc1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,mutagenic -2403-27-2,Brc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic -1849-36-1,[O-][N+](=O)c1ccc(S)cc1,mutagenic -108618-29-7,Nc1ccc(\C=C\c2ccc(cc2)C#N)cc1,mutagenic -99-59-2,COc1ccc(cc1N)[N+](=O)[O-],mutagenic -77-95-2,O[C@@H]1C[C@@](O)(C[C@H](O)[C@H]1O)C(=O)O,non-mutagenic -10443-65-9,OC(=O)C(=C)Br,non-mutagenic -24191-98-8,CN1CC(O)c2cc3OCOc3c4c5ccccc5CC1c24,mutagenic -59405-51-5,Cc1cc(N=Nc2cccnc2)c(N)cc1N,mutagenic -2528-36-1,CCCCOP(=O)(OCCCC)Oc1ccccc1,non-mutagenic -123-51-3,CC(C)CCO,non-mutagenic -60-09-3,Nc1ccc(cc1)N=Nc2ccccc2,mutagenic -69658-13-5,OC(=O)CSc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic -1904-98-9,Nc1nc(N)c2[nH]cnc2n1,non-mutagenic -612-24-8,[O-][N+](=O)c1ccccc1C#N,non-mutagenic -64896-26-0,OC(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C(=O)O,non-mutagenic -612-41-9,OC(=O)\C=C\c1ccccc1[N+](=O)[O-],non-mutagenic -130-13-2,Nc1ccc(c2ccccc12)S(=O)(=O)O,non-mutagenic -83-75-0,CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,non-mutagenic -32306-29-9,CCOP(=O)(OCC)Oc1cc(on1)c2ccccc2,non-mutagenic -131229-61-3,CCCCON(OC(=O)C)C(=O)c1ccc(C)cc1,mutagenic -53175-28-3,C\C=C(/Cl)\C=O,mutagenic -112368-25-9,OC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1Cl,non-mutagenic -51568-18-4,CC(=O)CC(=O)CCC(=O)O,non-mutagenic -122551-89-7,ClC(Cl)C1=C(Cl)C(=O)OC1,mutagenic -2082-81-7,CC(=C)C(=O)OCCCCOC(=O)C(=C)C,non-mutagenic -5598-15-2,CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic -633-03-4,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,mutagenic -111-40-0,NCCNCCN,non-mutagenic -155164-59-3,COc1ccc(cc1)S(=O)(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic -569-61-9,Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,mutagenic -95-14-7,c1ccc2[nH]nnc2c1,mutagenic -3160-37-0,CC(=O)\C=C/c1ccc2OCOc2c1,non-mutagenic -145439-00-5,CN(N=O)C(=O)c1c(ncn1C)N(C)C(=O)OC(C)(C)C,mutagenic -2498-76-2,Cc1ccc2ccc3cc4ccccc4cc3c2c1,mutagenic -399-10-0,Fc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic -3342-98-1,Cc1ccc2cc3c(ccc4ccccc34)c5[C@@H](O)Cc1c25,mutagenic -NOCAS_M271,CC[C@]1(O)C[C@@H](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@@H]1C(=O)OC,mutagenic -14992-81-5,Clc1c(Cl)c(Cl)c(C=C)c(Cl)c1Cl,non-mutagenic -60-12-8,OCCc1ccccc1,non-mutagenic -123-38-6,CCC=O,non-mutagenic -2386-87-0,O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,mutagenic -105453-64-3,OC1C=Cc2c(ccc3cc4c(ccc5ccccc45)cc23)C1O,mutagenic -999-81-5,C[N+](C)(C)CCCl,non-mutagenic -85-91-6,CNc1ccccc1C(=O)OC,non-mutagenic -621-52-3,CCOc1cccc(c1)[N+](=O)[O-],non-mutagenic -79660-72-3,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O,mutagenic -25703-79-1,CC(O)COC(=O)C(=C)C,non-mutagenic -73341-53-4,Cc1cccn2c1nc3ccc(NO)nc23,mutagenic -4460-86-0,COc1cc(OC)c(C=O)cc1OC,non-mutagenic -148193-36-6,COc1nsc2c(OCC3CO3)cccc12,mutagenic -58-93-5,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,non-mutagenic -105453-63-2,OC1C=Cc2ccc3cc4c(ccc5ccccc45)cc3c2C1O,mutagenic -616-44-4,Cc1ccsc1,non-mutagenic -1467-79-4,CN(C)C#N,non-mutagenic -61422-45-5,CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,non-mutagenic -35142-06-4,COC(=O)c1cc2OCOc2c3c1ccc4c(OC)cccc34,mutagenic -24260-08-0,CCOC1=CC(=O)C(=CC1=O)NC(=O)C,mutagenic -75-95-6,BrC(Br)C(Br)(Br)Br,non-mutagenic -1007-36-9,CNC(=O)Nc1ccccc1,non-mutagenic -3102-70-3,Cc1cc(C)c(N)c(C)c1N,mutagenic -2163-68-0,CCNc1nc(O)nc(NC(C)C)n1,non-mutagenic -127-00-4,C[C@@H](O)CCl,mutagenic -5869-25-0,Nc1ccc2c3cccc4cccc(c2c1)c34,mutagenic -625-48-9,OCC[N+](=O)[O-],mutagenic -131-57-7,COc1ccc(C(=O)c2ccccc2)c(O)c1,non-mutagenic -88-99-3,OC(=O)c1ccccc1C(=O)O,non-mutagenic -116374-66-4,CN(C)CCCNc1c2ccccc2nc3c(F)ccc(c13)[N+](=O)[O-],mutagenic -132929-89-6,[O-][N+](=O)c1ccc2ccc3cc4C=CCCc4c5ccc1c2c35,mutagenic -153260-28-7,CC1(C)Cc2ncccc2c3nc(N)sc13,mutagenic -NOCAS_M377,CCCC[C@@H](CC)COC(=O)C=C,non-mutagenic -60877-90-9,Oc1ccccc1\C=N\c2snc3ccccc23,non-mutagenic -53-95-2,CC(=O)N(O)c1ccc2c(Cc3ccccc23)c1,mutagenic -101-18-8,Oc1cccc(Nc2ccccc2)c1,non-mutagenic -95-06-7,CCN(CC)C(=S)SCC(=C)Cl,mutagenic -115-39-9,Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,non-mutagenic -38434-77-4,CCN(N=O)C#N,mutagenic -762-75-4,CC(C)(C)OCO,non-mutagenic -111712-46-0,CC(Br)(CBr)COP(=O)(OCC(C)(Br)CBr)OCC(C)(Br)CBr,non-mutagenic -50-07-7,CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N,mutagenic -124-07-2,CCCCCCCC(=O)O,non-mutagenic -98033-21-7,Cn1ccc2c1ccc3ccc4ccc(O)cc4c23,mutagenic -2517-98-8,CC(=O)OCc1c2ccccc2c(C)c3c1ccc4ccccc34,mutagenic -14703-71-0,Nc1cccc(O)c1[N+](=O)[O-],non-mutagenic -218-34-8,c1cnc2c(c1)ccc3c2ccc4cccnc34,mutagenic -8003-03-0,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,non-mutagenic -205-99-2,c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,mutagenic -NOCAS_M312,Cc1cccc(OC[C@@H](O)CNC(C)(C)C)c1C,non-mutagenic -113202-60-1,CC(=O)Oc1cc(C=O)cc2N3CC4C(N4C(=O)C)C(OC(=O)C)(O3)C(COC(=O)N)c12,mutagenic -119239-65-5,OC1C2OC2c3ccc4ncccc4c3C1O,non-mutagenic -100-22-1,CN(C)c1ccc(cc1)N(C)C,mutagenic -68268-20-2,CCCN(C(=O)CCCl)c1snc2ccccc12,mutagenic -4213-45-0,COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1,mutagenic -121-66-4,Nc1ncc(s1)[N+](=O)[O-],mutagenic -141511-28-6,[O-][N+](=O)c1cc2CCc3cc4CCCCc4c5CCc(c1)c2c35,mutagenic -124-30-1,CCCCCCCCCCCCCCCCCCN,non-mutagenic -96-67-3,Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-],non-mutagenic -61695-72-5,C1O[C@@H]1c2c3ccccc3cc4c2ccc5ccccc45,mutagenic -60-82-2,Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,non-mutagenic -111-71-7,CCCCCCC=O,non-mutagenic -NOCAS_M6,COc1cc(cc(OC)c1O)[C@H]2[C@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@@H]4O)c6cccs6)c7cc8OCOc8cc27,mutagenic -75-62-7,ClC(Cl)(Cl)Br,mutagenic -NOCAS_M508,CC[C@@H]1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,non-mutagenic -61875-33-0,Cc1cccc2nc(O)c(O)nc12,mutagenic -2876-24-6,[O-][N+](=O)c1cccc2nc3ccccc3nc12,mutagenic -102873-32-5,[O-][N+](=O)c1cccc(c1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic -98736-50-6,CN(Cc1ccc(Br)cc1)N=O,mutagenic -630125-99-4,CNc1cc(Oc2ccc(N)cc2)ncn1,mutagenic -613-35-4,CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2,mutagenic -6312-87-4,CC(=O)Nc1ccc(Oc2ccccc2)cc1,mutagenic -3244-54-0,[O-][N+](=O)c1ccc2[nH]c3ccc(cc3c2c1)[N+](=O)[O-],mutagenic -1447-88-7,COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3,non-mutagenic -172374-60-6,CC(=O)Nc1ccc(Oc2ccc(cc2)N(OC(=O)C)C(=O)C)cc1,mutagenic -57-10-3,CCCCCCCCCCCCCCCC(=O)O,non-mutagenic -18699-02-0,CC(=O)Nc1ccc(CC(=O)O)cc1,non-mutagenic -90-05-1,COc1ccccc1O,non-mutagenic -160543-23-7,Cc1ccc2c(C)c3C(O)C(O)c4ccccc4c3nc2c1,non-mutagenic -113698-18-3,COC1=CC(=O)c2c(nc(C)c3c4CCCCc4[nH]c23)C1=O,mutagenic -106-02-5,O=C1CCCCCCCCCCCCCCO1,non-mutagenic -14901-08-7,C[N+](=NC[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[O-],non-mutagenic -107-05-1,ClCC=C,mutagenic -94840-66-1,NC(CSC(F)(F)C(F)F)C(=O)O,non-mutagenic -106686-63-9,COc1cccc(\C=C\C)c1OC,mutagenic -100-25-4,[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -476-46-0,Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1O,mutagenic -55-21-0,NC(=O)c1ccccc1,non-mutagenic -102-82-9,CCCCN(CCCC)CCCC,non-mutagenic -63019-39-6,Oc1ccc2ccc3c4ccccc4ccc3c2c1,mutagenic -207-09-0,c1ccc2nc3c(cc2c1)c4cccc5cccc3c45,non-mutagenic -103942-97-8,CN(C)CCNC(=O)c1cccc2nc3ccccc3nc12,mutagenic -8001-35-2,ClC[C@]1(C(Cl)Cl)[C@@H]2CC(Cl)(Cl)[C@@]1(CCl)[C@H](Cl)[C@@H]2Cl,mutagenic -51276-85-8,Nc1nc2cc(O)ccc2[nH]1,mutagenic -645-62-5,CCC\C=C(\CC)/C=O,non-mutagenic -141-86-6,Nc1cccc(N)n1,mutagenic -992-59-6,Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)c(C)c4,non-mutagenic -1820-59-3,[O-][N+](=O)c1ccc(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic -24085-08-3,CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)Cc2ccccc2,mutagenic -1679-41-0,C\C(=C/C=O)\Cl,mutagenic -36133-88-7,CC(=O)NCc1onc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic -150445-96-8,[O-][N+](=O)c1ccc2c(c1)nc(\C=N\OCc3ccccc3[N+](=O)[O-])n2Cc4ccccc4,mutagenic -97919-22-7,Nc1ccc(cc1)S(=O)(=O)Nc2cnc3c(Cl)cccc3n2,non-mutagenic -2942-42-9,[O-][N+](=O)c1cccc2c[nH]nc12,mutagenic -36167-69-8,COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,mutagenic -122365-35-9,Nc1c2ncn(C(c3ccccc3)c4ccccc4)c2nc[n+]1[O-],mutagenic -110-58-7,CCCCCN,non-mutagenic -17369-59-4,CC\C=C\1/OC(=O)c2ccccc12,mutagenic -107027-31-6,CN(C)CCNC(=O)c1cccc2ncc(nc12)c3ccccc3,mutagenic -51264-14-3,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,mutagenic -68931-03-3,CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC,non-mutagenic -932-97-8,O=C1C=CC(=N#N)C=C1,mutagenic -3113-71-1,Cc1cc(ccc1[N+](=O)[O-])C(=O)O,mutagenic -NOCAS_M150,C=CCOC[C@H]1CO1,mutagenic -NOCAS_M40,CC[C@@H](C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -76024-59-4,OC1C(O)c2ccc3ccc4ccccc4c3c2C5OC15,mutagenic -2516-93-0,CCCCOCC(=O)O,non-mutagenic -56602-33-6,CN(C)[P+](On1nnc2ccccc12)(N(C)C)N(C)C,non-mutagenic -118326-95-7,COc1ccc2C=CC3CCCCC3c2c1,mutagenic -95-47-6,Cc1ccccc1C,non-mutagenic -50264-69-2,OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,non-mutagenic -118-82-1,CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,non-mutagenic -814-78-8,CC(=C)C(=O)C,non-mutagenic -NOCAS_M269,CCOc1ccc(NC(=O)C[C@@H](C)O)cc1,mutagenic -64894-89-9,OC(=O)c1ccc(Nc2c3ccccc3nc4cc(ccc24)N=N#N)cc1,mutagenic -5634-39-9,OC[C@@H]1CO[C@@H](CCI)O1,mutagenic -146795-34-8,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2,mutagenic -659-70-1,CC(C)CCOC(=O)CC(C)C,non-mutagenic -1822-51-1,ClCc1ccncc1,non-mutagenic -477-83-8,COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12,mutagenic -4606-98-8,Cc1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1,non-mutagenic -93-76-5,OC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -76-06-2,[O-][N+](=O)C(Cl)(Cl)Cl,mutagenic -118354-49-7,Brc1ccc2C3CCCCC3C4OC4c2c1,non-mutagenic -81760-45-4,CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4c5ccoc5C=CC4(C)C2CCC1C3,non-mutagenic -698-63-5,[O-][N+](=O)c1oc(C=O)cc1,mutagenic -619-25-0,OCc1cccc(c1)[N+](=O)[O-],non-mutagenic -95-65-8,Cc1ccc(O)cc1C,non-mutagenic -143347-57-3,CC12CCC=C(C=O)C1(C2)C=O,mutagenic -123-09-1,CSc1ccc(Cl)cc1,non-mutagenic -10517-47-2,CC(=O)c1ccc(NO)cc1,mutagenic -149-91-7,OC(=O)c1cc(O)c(O)c(O)c1,non-mutagenic -91540-30-6,C=CCN1C2C1c3ccccc3c4ccccc24,mutagenic -16110-14-8,Cc1c2ccc3ccccc3c2cc4ccc(O)c(O)c14,mutagenic -134998-71-3,CCC(CCC(C)O)COC(=O)CCCCC(=O)O,non-mutagenic -99-56-9,Nc1ccc(cc1N)[N+](=O)[O-],mutagenic -98644-23-6,OCc1c2ccccc2c(COS(=O)(=O)O)c3ccc4ccccc4c13,mutagenic -1937-35-5,Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)S(=O)(=O)O,mutagenic -117-10-2,Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,mutagenic -3159-62-4,OCCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic -125847-46-3,OC1C=Cc2c(ccc3c4ccccc4sc23)C1O,mutagenic -366-29-0,CN(C)c1ccc(cc1)c2ccc(cc2)N(C)C,non-mutagenic -134785-76-5,COC(=O)Nc1nc2cc(ccc2[nH]1)\C(=N\O)\c3ccc(F)cc3,mutagenic -94495-71-3,COc1c(O)c2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic -113600-15-0,Fc1ccc2cc3c(cc2c1)c4cccc5cccc3c45,mutagenic -78-67-1,CC(C)(N=NC(C)(C)C#N)C#N,non-mutagenic -45021-77-0,C[N+](C)(C)CCCNC(=O)C=C,non-mutagenic -590-46-5,C[N+](C)(C)CC(=O)O,non-mutagenic -111-42-2,OCCNCCO,non-mutagenic -84-60-6,Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1,non-mutagenic -26196-45-2,Nc1cc(c(N)cc1Cl)[N+](=O)[O-],mutagenic -NOCAS_M69,COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl,mutagenic -67-45-8,[O-][N+](=O)c1oc(\C=N\N2CCOC2=O)cc1,mutagenic -101126-67-4,[O-][N+](=O)c1c(Cl)cc2Oc3cc(Cl)c(Cl)cc3Oc2c1Cl,non-mutagenic -29043-89-8,CCCCOCC=O,non-mutagenic -NOCAS_M574,CCCC[C@@H](CC)COC(=O)\C=C\c1ccc(OC)cc1,non-mutagenic -101910-34-3,CS(=O)CCC(=O)N1C(CSC1c2ccccc2O)C(=O)O,non-mutagenic -94-26-8,CCCCOC(=O)c1ccc(O)cc1,non-mutagenic -87261-28-7,OC1C=Cc2c(ccc3c(c4ccccc4cc23)[N+](=O)[O-])C1O,mutagenic -613-92-3,N\C(=N/O)\c1ccccc1,mutagenic -133-90-4,Nc1cc(Cl)cc(C(=O)O)c1Cl,mutagenic -470-90-6,CCOP(=O)(OCC)O\C(=C/Cl)\c1ccc(Cl)cc1Cl,mutagenic -80324-43-2,Nc1ccc(cc1)N=Nc2cccc(N)c2N,mutagenic -78111-17-8,C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C,non-mutagenic -NOCAS_M360,CC(C)(Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl)C(=O)O,non-mutagenic -57609-64-0,Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,non-mutagenic -91134-58-6,CC(C)COC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -99346-49-3,Oc1cnnc(O)n1,mutagenic -1321-74-0,C=Cc1ccccc1C=C,non-mutagenic -518-47-8,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,non-mutagenic -97-90-5,CC(=C)C(=O)OCCOC(=O)C(=C)C,non-mutagenic -143-07-7,CCCCCCCCCCCC(=O)O,non-mutagenic -1204-41-7,Cc1ccccc1c2ccc(N)cc2,mutagenic -75-96-7,OC(=O)C(Br)(Br)Br,mutagenic -5907-38-0,CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,mutagenic -70585-50-1,OC(=O)c1cc(I)cc2cccnc12,non-mutagenic -NOCAS_M184,ClC(Cl)(Cl)[C@@H]1CO1,mutagenic -106686-67-3,O=S(=O)(Cc1ccccc1)N2C3C2c4ccccc4c5ccccc35,mutagenic -97931-40-3,OC1CCCc2c1c(c3ccc4cccc5ccc2c3c45)[N+](=O)[O-],non-mutagenic -58-56-0,Cc1ncc(CO)c(CO)c1O,non-mutagenic -16156-55-1,CC(C)CCOS(=O)(=O)C,mutagenic -17172-88-2,BrC(C(=O)NCc1ccccc1)c2ccccc2,non-mutagenic -4659-45-4,ClC(=O)c1c(Cl)cccc1Cl,mutagenic -5460-35-5,NC1=CC(=O)C(=O)c2ccccc12,mutagenic -13615-38-8,Cc1cc(c2ccccc2c1)[N+](=O)[O-],mutagenic -421-20-5,COS(=O)(=O)F,mutagenic -38083-17-9,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,non-mutagenic -58-61-7,Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O,non-mutagenic -630-20-6,ClCC(Cl)(Cl)Cl,non-mutagenic -146795-46-2,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2[N+](=O)[O-],mutagenic -78-85-3,CC(=C)C=O,mutagenic -790-60-3,O1c2c1c3cc4ccccc4cc3c5ccccc25,mutagenic -1836-77-7,[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,mutagenic -NOCAS_M370,CC[C@@H](C)c1ccccc1O,non-mutagenic -2461-43-0,C(Oc1ccccc1Cc2ccccc2)C3CO3,mutagenic -10510-77-7,CC[n+]1c2ccccc2nc3ccccc13,mutagenic -53043-28-0,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@H](O)C2=CO1,mutagenic -75586-70-8,C[n+]1c2ccccc2cc3ccc(N)cc13,mutagenic -605-71-0,[O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],mutagenic -3022-61-5,CC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic -1746-01-6,Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,non-mutagenic -92134-97-9,OCC(O)C(O)C(O)C(O)C1SCC(N1N=O)C(=O)O,non-mutagenic -57-66-9,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,non-mutagenic -96-99-1,OC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],mutagenic -4205-90-7,Clc1cccc(Cl)c1NC2=NCCN2,non-mutagenic -110-61-2,N#CCCC#N,non-mutagenic -18523-48-3,OC(=O)CN=N#N,non-mutagenic -406-90-6,FC(F)(F)COC=C,mutagenic -136112-69-1,[O-][N+](=O)c1ccc(Nc2[nH]cnc3ncnc23)cc1,non-mutagenic -NOCAS_M361,OC(=O)C[C@H](Cl)C(=O)O,non-mutagenic -2657-25-2,Oc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic -109-09-1,Clc1ccccn1,mutagenic -475-54-7,CC1=C(O)C(=C(C(=O)C1=O)C2=C(O)C(=C(C)C(=O)C2=O)O)O,non-mutagenic -2872-48-2,COc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,mutagenic -NOCAS_M105,C[C@@H](CN(C[C@H](C)OC(=O)C)N=O)OC(=O)C,mutagenic -105360-93-8,Oc1cc2ccc3cccc4ccc(n1)c2c34,mutagenic -120812-52-4,[O-][N+](=O)c1ccc2ccc3ccc(c4c5CCCCc5c1c2c34)[N+](=O)[O-],mutagenic -999-97-3,C[Si](C)(C)N[Si](C)(C)C,non-mutagenic -963-89-3,Cc1ccc2nc3c(ccc4ccccc34)c(C)c2c1,mutagenic -7627-38-5,ClCc1cnc(Cl)nc1Cl,mutagenic -146795-27-9,COc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic -116-85-8,Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,mutagenic -92-52-4,c1ccc(cc1)c2ccccc2,non-mutagenic -71400-33-4,[O-][N+](=O)c1ccc2Oc3cc(ccc3Oc2c1)[N+](=O)[O-],mutagenic -105453-67-6,OC1C(O)c2cc3c(ccc4ccccc34)cc2c5ccccc15,mutagenic -517-82-8,CCC1=C(O)C(=O)c2c(O)c(O)c(O)c(O)c2C1=O,mutagenic -110-85-0,C1CNCCN1,non-mutagenic -138580-44-6,Cc1nc2C(=O)C=CC(=O)c2c3[nH]c4ccccc4c13,mutagenic -54755-20-3,Cc1ccc2c(cccc2c1)[N+](=O)[O-],mutagenic -33100-27-5,C1COCCOCCOCCOCCO1,non-mutagenic -13707-88-5,CC(C)NCC(O)COc1ccccc1CC=C,non-mutagenic -91259-16-4,[O-][N+](=O)c1ccc2ccc3cccc4c5ccccc5c1c2c34,mutagenic -78-34-2,CCOP(=S)(OCC)S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC,mutagenic -106-24-1,CC(=CCC\C(=C\CO)\C)C,non-mutagenic -89-61-2,[O-][N+](=O)c1cc(Cl)ccc1Cl,mutagenic -7083-63-8,Nc1cccc2Cc3ccccc3c12,mutagenic -39932-99-5,CC12CCC3C(CCC4CC(O)CCC34C)C1CCC(=O)N2,non-mutagenic -4465-94-5,OCCCNP(=O)(O)N(CCCl)CCCl,mutagenic -115-20-8,OCC(Cl)(Cl)Cl,mutagenic -149862-55-5,CCCCNc1snc2ccccc12,non-mutagenic -103-70-8,O=CNc1ccccc1,non-mutagenic -29743-15-5,CCCCOc1ccc(\C=N\c2ccc(CC)cc2)cc1,mutagenic -490-91-5,CC(C)C1=CC(=O)C(=CC1=O)C,non-mutagenic -766-40-5,OC1OC(=O)C(=C1Cl)Cl,mutagenic -396-30-5,Fc1ccc2ncccc2c1,mutagenic -100-13-0,[O-][N+](=O)c1ccc(C=C)cc1,mutagenic -52101-36-7,COC(=O)c1occ(c2ccccc2)c1c3ccccc3,non-mutagenic -25843-45-2,CN=[N+](C)[O-],mutagenic -30039-44-2,CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic -88-85-7,CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -83996-50-3,CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cccc(c1)N(CCCl)CCCl)NC(=O)[C@@H](N)Cc2ccc(F)cc2,mutagenic -23102-68-3,O1C2C1c3cscc3c4cscc24,mutagenic -62895-88-9,CC(C)OC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC(C)C)ccc1N,non-mutagenic -113163-21-6,OC1C=Cc2c(ccc3cccnc23)C1O,mutagenic -25082-33-1,c1ccc2cc3c(ccc4ccncc34)cc2c1,mutagenic -1143-38-0,Oc1cccc2Cc3cccc(O)c3C(=O)c12,non-mutagenic -479-27-6,Nc1cccc2cccc(N)c12,mutagenic -158366-45-1,CC(=O)c1cccn1[N+](=O)[O-],mutagenic -100-53-8,SCc1ccccc1,non-mutagenic -133561-39-4,Nc1ccc(c2ccc(cc2N)[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic -42522-72-5,Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OS(=O)(=O)c5ccccc45)c1Br,mutagenic -103-89-9,CC(=O)Nc1ccc(C)cc1,mutagenic -122365-34-8,Nc1ncnc2c1ncn2C(c3ccccc3)c4ccccc4,mutagenic -69304-47-8,OCC1OC(CC1O)N2C=C(\C=C\Br)C(=O)NC2=O,non-mutagenic -220168-52-5,O=C(ON(OCc1ccccc1)C(=O)c2ccccc2)c3ccc(cc3)C#N,mutagenic -118353-05-2,Nc1nc(O)c2ncn(C3CC(CO)C=C3)c2n1,non-mutagenic -55481-88-4,COC(=O)c1c(O)c2ccccc2c3OC(C)(C)C=Cc13,mutagenic -1663-39-4,CC(C)(C)OC(=O)C=C,non-mutagenic -4368-56-3,Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)O,non-mutagenic -NOCAS_M160,CCCC[C@@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,mutagenic -10318-26-0,O[C@H](CBr)[C@H](O)[C@H](O)[C@@H](O)CBr,mutagenic -161697-01-4,CCc1nc2ccc(NC)c(C)c2nc1CC,mutagenic -60110-37-4,CC(C)(Br)C(=O)NCc1ccccc1,non-mutagenic -868-85-9,COP(=O)OC,mutagenic -127-07-1,NC(=O)NO,mutagenic -28553-12-0,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,non-mutagenic -14953-63-0,Cn1cnc(c2ccccc2)c1[N+](=O)[O-],mutagenic -98033-23-9,CNc1ccc2ccc3ccc(O)cc3c2c1,mutagenic -93261-88-2,[O-][N+](=O)c1oc(C(=O)CBr)c(c2ccccc2)c1c3ccccc3,mutagenic -91-44-1,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,non-mutagenic -146795-39-3,[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(Cl)c2,mutagenic -602-64-2,Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,mutagenic -591-35-5,Oc1cc(Cl)cc(Cl)c1,non-mutagenic -24463-19-2,ClCc1c2ccccc2cc3ccccc13,mutagenic -103630-35-9,CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C3=C2C(=O)C(C)(O)C3,non-mutagenic -109-65-9,CCCCBr,mutagenic -95-93-2,Cc1cc(C)c(C)cc1C,non-mutagenic -136861-01-3,Nc1cc(N)c(c2ccccc2)c(c1)[N+](=O)[O-],mutagenic -146795-32-6,CCc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic -22216-66-6,COc1ccc([Se]c2ccc(OC)cc2)cc1,mutagenic -NOCAS_M248,N1[C@@H]2[C@H]1c3cccc4cccc2c34,mutagenic -129-79-3,[O-][N+](=O)c1ccc2c(c1)C(=O)c3cc(cc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic -119-41-5,CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,non-mutagenic -NOCAS_M318,Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,non-mutagenic -110-02-1,c1ccsc1,non-mutagenic -420-46-2,CC(F)(F)F,non-mutagenic -688-74-4,CCCCOB(OCCCC)OCCCC,non-mutagenic -105-95-3,O=C1CCCCCCCCCCCC(=O)OCCO1,non-mutagenic -13010-07-6,CCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic -64-18-6,OC=O,non-mutagenic -76002-91-0,CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC3CO3)cc2,mutagenic -97-23-4,Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,mutagenic -74-83-9,CBr,mutagenic -96346-61-1,CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)CCCO)C4CCC5=CC(=O)CCC5=C24,non-mutagenic -97975-05-8,OCC1OC(CC1O)N2C=C(CCCCl)C(=O)NC2=O,non-mutagenic -123-72-8,CCCC=O,non-mutagenic -106532-68-7,CCCCCC(=O)\N=C\1/SN(C(=O)CCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic -54357-08-3,Cc1ccc2cc(ccc2c1)[N+](=O)[O-],mutagenic -1124-33-0,[O-][N+](=O)c1cc[n+]([O-])cc1,mutagenic -87-68-3,ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,non-mutagenic -25003-82-1,c1ccc2c(c1)ccc3cc4cnccc4cc23,mutagenic -61064-66-2,ClNc1ccc2c(Cc3ccccc23)c1,mutagenic -98046-75-4,[O-][N+](=O)c1cnc2c(c1)nc3ccccn23,mutagenic -18028-55-2,Cc1ccc(C)c2c3ccccc3[nH]c12,mutagenic -92130-56-8,Cc1cc2ncccc2c3ncn(C)c13,non-mutagenic -480-54-6,C\C=C/1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23,mutagenic -712-12-9,CC(C)CNc1snc2ccccc12,non-mutagenic -42135-22-8,[O-][N+](=O)c1ccc2C(=O)c3ccccc3c2c1,mutagenic -153-78-6,Nc1ccc2c(Cc3ccccc23)c1,mutagenic -17309-86-3,CN(C)c1ccc(cc1)N=Nc2ccc3[nH]ncc3c2,mutagenic -49852-85-9,BrCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -836-37-3,COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\C#N,mutagenic -15254-64-5,Cc1cc(C)c2c(ccc3ccccc23)c1,mutagenic -619-17-0,Nc1cc(ccc1C(=O)O)[N+](=O)[O-],mutagenic -513-85-9,CC(O)C(C)O,non-mutagenic -41340-19-6,CCC1(CC(=O)O)OCCc2c1[nH]c3c(C)cccc23,non-mutagenic -3811-71-0,Nc1cc(N)c(cc1N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C(=O)O)N=Nc5ccc(cc5)S(=O)(=O)O,mutagenic -95969-40-7,C[N+]1([O-])CCC(=CC1)c2ccccc2,non-mutagenic -6534-28-7,CC(=O)Nc1ccc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12,mutagenic -357-57-3,COc1cc2N3[C@H]4[C@@H]5[C@@H](CC3=O)OCC=C6CN7CC[C@]4([C@H]7C[C@@H]56)c2cc1OC,non-mutagenic -83407-42-5,CNc1c(C)cc2ncccc2c1N,non-mutagenic -24953-56-8,COc1nncc2ccccc12,non-mutagenic -83905-01-5,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,non-mutagenic -321-14-2,OC(=O)c1cc(Cl)ccc1O,non-mutagenic -62641-67-2,C[C@H]1CN(N=O)C(=O)NC1=O,mutagenic -94500-44-4,ClCc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic -6223-35-4,CC(C)c1ccc(C)c2c(cc(C)c2c1)S(=O)(=O)O,non-mutagenic -100-17-4,COc1ccc(cc1)[N+](=O)[O-],mutagenic -NOCAS_M212,O1[C@@H]2C=Cc3c(ccc4c5C=Cc6cccc(cc34)c56)[C@H]12,mutagenic -63642-50-2,O=C1CCCc2c1ccc3c2ccc4ccccc34,mutagenic -108-45-2,Nc1cccc(N)c1,mutagenic -140-79-4,O=NN1CCN(CC1)N=O,mutagenic -56-93-9,C[N+](C)(C)Cc1ccccc1,non-mutagenic -3173-72-6,O=C=Nc1cccc2c(cccc12)N=C=O,non-mutagenic -112-55-0,CCCCCCCCCCCCS,non-mutagenic -13395-02-3,COc1cccc2c1cc3NC(=O)c4cc5OCOc5c2c34,mutagenic -505-29-3,C1CSCCS1,mutagenic -NOCAS_M67,NC(=O)C1(O[C@H]1C(=O)c2ccccc2)C(=O)N,mutagenic -101328-75-0,CCCCCn1cc2C[C@@H]3[C@H](C=C(C)CN3C)c4cccc1c24,mutagenic -838-88-0,Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,mutagenic -75-87-6,ClC(Cl)(Cl)C=O,mutagenic -16974-10-0,CCCCCC\C=C/CCCCCCOC(=O)C,non-mutagenic -135-76-2,Oc1ccc2c(cccc2c1)S(=O)(=O)O,non-mutagenic -5975-78-0,CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,non-mutagenic -56-53-1,CC\C(=C(\CC)/c1ccc(O)cc1)\c2ccc(O)cc2,non-mutagenic -3025-52-3,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic -580-15-4,Nc1ccc2ncccc2c1,non-mutagenic -98-91-9,OC(=S)c1ccccc1,non-mutagenic -962-58-3,CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C,mutagenic -4435-53-4,COC(C)CCOC(=O)C,non-mutagenic -299-28-5,OCC(O)C(O)C(O)C(O)C(=O)O,non-mutagenic -143603-80-9,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(O)cc3,mutagenic -2645-07-0,OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -108-80-5,O=C1NC(=O)NC(=O)N1,non-mutagenic -84030-17-1,Oc1ccc2cc(cc(c2c1N=Nc3ccc(cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -1253-28-7,CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C(=O)C,non-mutagenic -55556-85-9,O[C@H]1CCCN(C1)N=O,mutagenic -4252-78-2,ClCC(=O)c1ccc(Cl)cc1Cl,mutagenic -73215-03-9,[O-][N+](=O)c1ccc(CNc2[nH]cnc3ncnc23)cc1,mutagenic -13177-25-8,Nc1ccc2cccc3c4ccccc4c1c23,mutagenic -37797-31-2,CC(=O)OCc1ccc(cc1)N=Nc2ccc(COC(=O)C)cc2,mutagenic -111712-45-9,CC(OP(=O)(OC(C)C(Br)CBr)OC(C)C(Br)CBr)C(Br)CBr,mutagenic -64920-32-7,O[C@@H]1C=Cc2ccc3c(ccc4ccccc34)c2[C@H]1O,mutagenic -103946-55-0,C(OCC1CCC2OC2C1)C3CCC4OC4C3,mutagenic -57309-27-0,CC1(N(O)c2ccccc2C1=O)c3ccccc3,non-mutagenic -224-41-9,c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23,mutagenic -135105-89-4,COc1cc(OC)c2C3C=COC3Oc2c1,mutagenic -630-16-0,BrCC(Br)(Br)Br,mutagenic -142044-37-9,C[n+]1cccc2[C@@H]3O[C@@H]3C=Cc12,mutagenic -3585-32-8,CNN=NC,mutagenic -125372-29-4,Cc1cc2ncccc2c3nc(N=N#N)n(C)c13,mutagenic -133743-71-2,COC(=O)C1=C(C)N=C(C)C(=C(O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)C1c6cccc(c6)[N+](=O)[O-],non-mutagenic -134109-03-8,OC1C=Cc2c(ccc3c(Cl)c4ccccc4cc23)C1O,mutagenic -42286-46-4,O=C1C(=O)c2cc3ccccc3c4ccc5cccc1c5c24,mutagenic -101021-43-6,Cc1ccc2c(ccc3[nH]c4ccc5ccccc5c4c23)c1,mutagenic -2782-91-4,CN(C)C(=S)N(C)C,non-mutagenic -63224-45-3,CCCCCCCCCCCCCCN(OC(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic -463-51-4,C=C=O,mutagenic -119239-64-4,OC1C(O)c2ccc3c(ccc[n+]3[O-])c2C4OC14,non-mutagenic -2039-87-4,Clc1ccccc1C=C,non-mutagenic -88746-58-1,BrCc1cc2c3ccccc3c4cccc(c1)c24,mutagenic -90301-75-0,NC1=NC(=O)N(C=C1CCCl)C2CC(O)C(CO)O2,non-mutagenic -4189-44-0,NC(=S(=O)=O)N,mutagenic -191861-18-4,Fc1cnc2c(ccc3ncc(F)cc23)c1,non-mutagenic -299-88-7,C\C(=C(/CCOC(=O)c1ccccc1)\SC(=O)c2ccccc2)\N(Cc3cnc(C)nc3N)C=O,non-mutagenic -37364-66-2,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)O,non-mutagenic -618-87-1,Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -14918-69-5,Oc1c(Cl)c(Cl)c(O)c2C(=O)C=CC(=O)c12,mutagenic -27321-96-6,CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OCCOCCO,non-mutagenic -172374-59-3,CC(=O)Nc1ccc(Oc2ccc(cc2)N(O)C=O)cc1,mutagenic -146795-42-8,[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(Br)c2,mutagenic -396-31-6,Fc1cnc2ccccc2c1,non-mutagenic -5437-38-7,Cc1cccc(C(=O)O)c1[N+](=O)[O-],mutagenic -122-69-0,O=C(OC\C=C\c1ccccc1)\C=C\c2ccccc2,mutagenic -3689-24-5,CCOP(=S)(OCC)OP(=S)(OCC)OCC,mutagenic -34433-31-3,NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1,non-mutagenic -117066-35-0,O[C@H]1[C@H](O)c2nc3ccc4ccccc4c3cc2c5ccccc15,non-mutagenic -1116-40-1,CC(C)CN(CC(C)C)CC(C)C,non-mutagenic -153654-34-3,Oc1c(cc2c3ccccc3[nH]c2c1[N+](=O)[O-])[N+](=O)[O-],mutagenic -589-15-1,BrCc1ccc(Br)cc1,non-mutagenic -83-38-5,Clc1cccc(Cl)c1C=O,non-mutagenic -102408-26-4,CNc1nc2c3cccnc3ccc2n1C,mutagenic -66860-80-8,ClCC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,non-mutagenic -107-15-3,NCCN,mutagenic -153260-24-3,Nc1nc2C3CCCNC3CCc2s1,non-mutagenic -133-37-9,O[C@@H]([C@H](O)C(=O)O)C(=O)O,non-mutagenic -54954-12-0,OC[C@H]1O[C@@H](Oc2cc(O)cc3Oc4c(O)ccc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic -148-79-8,c1ccc2[nH]c(nc2c1)c3cscn3,mutagenic -2438-72-4,CCCCOc1ccc(CC(=O)NO)cc1,mutagenic -5709-67-1,[O-][N+](=O)c1nc2ccccc2[nH]1,mutagenic -67730-11-4,Cc1cccn2c1nc3ccc(N)nc23,mutagenic -5855-71-0,Nc1ccc(c2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic -159092-81-6,[O-][N+](=O)c1ccc2c(c1)cc(c3ccc(cc23)[N+](=O)[O-])[N+](=O)[O-],mutagenic -645-09-0,NC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic -92-48-8,Cc1ccc2OC(=O)C=Cc2c1,non-mutagenic -53-43-0,CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O,non-mutagenic -100-65-2,ONc1ccccc1,mutagenic -153654-32-1,Oc1c(cc2c3cc(ccc3[nH]c2c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -623-10-9,Cc1ccc(NO)cc1,mutagenic -91-23-6,COc1ccccc1[N+](=O)[O-],mutagenic -119-39-1,Oc1nncc2ccccc12,non-mutagenic -88-05-1,Cc1cc(C)c(N)c(C)c1,mutagenic -809-73-4,CC(C)(C)C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C,non-mutagenic -111070-57-6,[O-][N+](=O)c1oc(\C=N\N2C(=O)C=C(C=C2c3ccccc3)c4ccccc4)cc1,mutagenic -19322-27-1,CC1=C(O)C(=O)CO1,mutagenic -NOCAS_M260,CC[C@@H](Cl)[N+](=O)[O-],mutagenic -31383-81-0,COC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC)ccc1N,mutagenic -40855-12-7,OCCNCc1oc(cc1)[N+](=O)[O-],mutagenic -149396-88-3,COc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(c1)C(C)(C)C,mutagenic -88-89-1,Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -67604-48-2,Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,non-mutagenic -122-48-5,COc1cc(CCC(=O)C)ccc1O,non-mutagenic -134-72-5,CN[C@H](C)[C@@H](O)c1ccccc1,non-mutagenic -62-31-7,NCCc1ccc(O)c(O)c1,mutagenic -18829-55-5,CCCC\C=C\C=O,mutagenic -58086-32-1,COC(=O)c1cccc2Oc3c4[C@@H]5C=CO[C@H]5Oc4cc(OC)c3C(=O)c12,mutagenic -1845-30-3,CC1=CC(O)C2CC1C2(C)C,non-mutagenic -163930-30-1,ICCc1ccc(OCc2ccccc2)cc1,mutagenic -143603-75-2,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3cc(OC)c(OC)c(OC)c3,mutagenic -NOCAS_M101,[O-][N+](=O)c1ccc(s1)[C@@H]2NC(=O)c3ccccc3N2,mutagenic -129401-88-3,C=CC(=O)N1CCN(CC1)c2ccccc2,non-mutagenic -39565-00-9,CC(=O)c1ccc(s1)[N+](=O)[O-],mutagenic -290-37-9,c1cnccn1,non-mutagenic -2523-37-7,CC1c2ccccc2c3ccccc13,mutagenic -79-94-7,CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,non-mutagenic -107-25-5,COC=C,non-mutagenic -152-84-1,OC1COC(OCC2OC(Oc3ccc4C(=O)c5ccccc5C(=O)c4c3O)C(O)C(O)C2O)C(O)C1O,non-mutagenic -79-43-6,OC(=O)C(Cl)Cl,mutagenic -82-05-3,O=C1c2ccccc2c3cccc4cccc1c34,mutagenic -111712-47-1,CC(Br)C(Br)COP(=O)(OCC(Br)C(C)Br)OCC(Br)C(C)Br,mutagenic -34256-82-1,CCOCN(C(=O)CCl)c1c(C)cccc1CC,non-mutagenic -80-82-0,OS(=O)(=O)c1ccccc1[N+](=O)[O-],non-mutagenic -106-30-9,CCCCCCC(=O)OCC,non-mutagenic -39638-32-9,CC(C)(Cl)OC(C)(C)Cl,mutagenic -4792-83-0,CCOc1ccc(cc1)N=[N+]([O-])c2ccc(OCC)cc2,non-mutagenic -78448-07-4,Oc1ccc2c(ccc3[nH]c4ccc5ccccc5c4c23)c1,mutagenic -82-50-8,OS(=O)(=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,mutagenic -NOCAS_M174,CC(=C)C(=O)OC[C@H]1CO1,mutagenic -125157-98-4,CC1C2C(=Nc3ccc(C)cc23)N(C)c4ccccc14,mutagenic -21638-36-8,CC1CN(\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)N1,mutagenic -109621-21-8,COC(=O)C(CSCC(Br)c1ccccc1)NC(=O)C,non-mutagenic -72-57-1,Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(C)c4,mutagenic -140-49-8,CC(=O)Nc1ccc(cc1)C(=O)CCl,mutagenic -2832-19-1,OCNC(=O)CCl,non-mutagenic -497841-28-8,C[C@@H](Nc1[nH]cnc2nc(cc12)c3ccc(CCl)cc3)c4ccccc4,mutagenic -96910-73-5,CC1C=C(C=O)C(=CC2(O)CC(C)(C)CC12)C=O,mutagenic -25956-17-6,COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -57816-08-7,C1c2ccc3ccccc3c2Cc4ccc5ccccc5c14,mutagenic -1149-99-1,CC1=C2C(O)C(C)(CO)C=C2C(=O)C(C)(O)C13CC3,mutagenic -624-76-0,OCCI,mutagenic -14882-94-1,CC(=O)OC(C)(C)C1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C,non-mutagenic -100-03-8,OS(=O)c1ccc(Cl)cc1,non-mutagenic -57-41-0,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,non-mutagenic -835-64-3,Oc1ccccc1c2oc3ccccc3n2,non-mutagenic -68268-44-0,CC(C)CN(C(=O)CCCl)c1snc2ccccc12,non-mutagenic -91-93-0,COc1cc(ccc1N=C=O)c2ccc(N=C=O)c(OC)c2,mutagenic -74940-61-7,COP(=O)(OC)C(OC(=O)CCl)C(Cl)(Cl)Cl,non-mutagenic -393-77-1,Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-mutagenic -62018-92-2,CCCCN(CCC(=O)O)N=O,mutagenic -25074-67-3,Clc1ccc2c(oc3ccccc23)c1,mutagenic -124878-08-6,COc1cc(OC)c(cc1OC)C2OC2C,mutagenic -119-26-6,NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -522-06-5,COc1c2ccoc2nc3c(OC)c4OCOc4cc13,mutagenic -119-15-3,Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,mutagenic -75464-10-7,CCC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic -3626-29-7,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(N=Nc5ccc(O)c(c5)C(=O)O)c6cc(ccc46)S(=O)(=O)O,mutagenic -158729-30-7,[O-][N+](=O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1Cl,non-mutagenic -67274-52-6,CC(=O)N(O)c1ccc(cc1)[N+](=O)[O-],mutagenic -334-48-5,CCCCCCCCCC(=O)O,non-mutagenic -96563-01-8,NC(CSC(F)(F)C(F)Cl)C(=O)O,non-mutagenic -482-27-9,COc1c2OC(=O)C=Cc2c(OC)c3ccoc13,non-mutagenic -1563-66-2,CNC(=O)Oc1cccc2CC(C)(C)Oc12,non-mutagenic -108283-47-2,CC(C)(C)OC(=O)C(N)CN=N#N,mutagenic -94-80-4,CCCCOC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic -634-67-3,Nc1ccc(Cl)c(Cl)c1Cl,non-mutagenic -31647-36-6,Cc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -1574-41-0,C\C=C/C=C,non-mutagenic -611-33-6,Clc1cccc2cccnc12,mutagenic -65271-80-9,OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic -341-69-5,CN(C)CCO[C@H](c1ccccc1)c2ccccc2C,non-mutagenic -NOCAS_M231,CCc1c(O)ccc2c3CCO[C@@](CC)(CC(=O)O)c3[nH]c12,mutagenic -57-83-0,CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,non-mutagenic -603-02-1,Cc1ccc(c(C)c1[N+](=O)[O-])[N+](=O)[O-],mutagenic -6300-61-4,Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)O)c(N)cc1N,mutagenic -5141-20-8,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(cc5)S(=O)(=O)O,mutagenic -13177-26-9,Nc1cc2c3ccccc3c4cccc(c1)c24,mutagenic -10567-95-0,Cc1cc2c(C)c3ccccc3nc2c4ccccc14,mutagenic -488-11-9,OC(=O)\C(=C(/Br)\C=O)\Br,mutagenic -141-84-4,O=C1CSC(=S)N1,non-mutagenic -58632-95-4,CC(C)(C)OC(=O)O\N=C(/C#N)\c1ccccc1,non-mutagenic -106-95-6,BrCC=C,mutagenic -314-40-9,CCC(C)N1C(=O)NC(=C(Br)C1=O)C,non-mutagenic -53757-28-1,[O-][N+](=O)c1oc(cc1)c2cscn2,mutagenic -2315-20-0,NC(=N)NN=C(\C=C/c1oc(cc1)[N+](=O)[O-])\C=C/c2oc(cc2)[N+](=O)[O-],mutagenic -NOCAS_M526,ClC1=C(Cl)[C@@]2(Cl)[C@H]3COS(=O)OC[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic -120-82-1,Clc1ccc(Cl)c(Cl)c1,non-mutagenic -NOCAS_M456,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCOC[C@H]6C#N)c4c(O)c3C(=O)c12)C(=O)CO,non-mutagenic -98736-45-9,COc1cccc(CN(C)N=O)c1,mutagenic -13007-92-6,[C-]#[O+],non-mutagenic -38915-38-7,CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,mutagenic -108-69-0,Cc1cc(C)cc(N)c1,mutagenic -58-90-2,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,non-mutagenic -2598-29-0,CC(=O)Oc1cccc2cccnc12,non-mutagenic -34522-72-0,Fc1cc(F)c2cccnc2c1,mutagenic -3179-47-3,CCCCCCCCCCOC(=O)C(=C)C,non-mutagenic -579-07-7,CC(=O)C(=O)c1ccccc1,non-mutagenic -27532-75-8,Cc1ccc2cc3ccccc3c(C)c2c1,mutagenic -958-09-8,Nc1ncnc2c1ncn2C3CC(O)C(CO)O3,non-mutagenic -75-33-2,CC(C)S,non-mutagenic -4985-70-0,Clc1cccc2cc3ccccc3cc12,non-mutagenic -72076-98-3,c1ccc2c(c1)cc3sc4cccc5ccc2c3c45,mutagenic -91598-91-3,CC(=O)Nc1ccc2ccc3c(O)ccc4ccc1c2c34,mutagenic -81-48-1,Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,non-mutagenic -86412-49-9,CC(=O)N(O)c1ccc(Cl)c(Cl)c1,non-mutagenic -160543-04-4,OCc1ccc2nc3c(ccc4ccccc34)c(CO)c2c1,mutagenic -27946-19-6,ClC(C(=O)NCc1ccccc1)c2ccccc2,mutagenic -8065-41-6,C[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)C=O,non-mutagenic -3268-87-9,Clc1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1Cl,non-mutagenic -4494-26-2,OCC1OC(CC1O)N2C=C(C=O)C(=O)NC2=O,non-mutagenic -1689-71-0,O1C(C1c2ccccc2)c3ccccc3,non-mutagenic -94500-53-5,OCc1cc2cccc3ccc4cc5ccccc5c1c4c23,non-mutagenic -145627-70-9,OC1C(O)c2ccc3c4CCCc4ccc3c2C5OC15,mutagenic -21655-84-5,Cc1nccc2c3ccccc3[nH]c12,mutagenic -144605-96-9,COC(=O)C1Cc2c([nH]c3ccc(cc23)[N+](=O)[O-])C(C)N1N=O,mutagenic -14097-03-1,CCN(CC[N+](C)(C)C)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic -35231-44-8,COc1ccc2C(=CC(=O)Oc2c1)CBr,non-mutagenic -120209-97-4,Nc1ccc2nc3cc(N)ccc3nc2c1,mutagenic -389104-59-0,CC(C)(C)c1c(N)ccc2c1Cc3ccccc23,non-mutagenic -91-20-3,c1ccc2ccccc2c1,non-mutagenic -150-76-5,COc1ccc(O)cc1,non-mutagenic -98033-22-8,CN1CCc2c1ccc3ccc4ccc(O)cc4c23,mutagenic -132742-04-2,[O-][N+](=O)c1ccc2ccc3c4C=CCCc4cc5ccc1c2c35,mutagenic -NOCAS_M534,C[C@@H](O)CNC[C@@H](C)O,non-mutagenic -51-17-2,c1ccc2[nH]cnc2c1,non-mutagenic -66850-95-1,OC(=O)CCC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic -152-20-5,COP(=O)(OC)SC,non-mutagenic -19020-26-9,CCc1ccnc2ccccc12,non-mutagenic -54556-98-8,CCCOC(C(=O)OC1CCN(C)CC1)(c2ccccc2)c3ccccc3,non-mutagenic -34430-24-5,CCC[CH-][N+](=O)[O-],non-mutagenic -843-55-0,Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,non-mutagenic -42509-80-8,CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,mutagenic -2393-18-2,Nc1ccc(\C=C\C(=O)O)cc1,non-mutagenic -352-11-4,Fc1ccc(CCl)cc1,non-mutagenic -95-63-6,Cc1ccc(C)c(C)c1,non-mutagenic -627-03-2,CCOCC(=O)O,non-mutagenic -39501-62-7,ONc1ccc(Oc2ccccc2)cc1,mutagenic -150-30-1,NC(Cc1ccccc1)C(=O)O,non-mutagenic -91-95-2,Nc1ccc(cc1N)c2ccc(N)c(N)c2,mutagenic -78996-87-9,Cc1cc2c(O)cccc2c3cc4ccccc4cc13,mutagenic -81840-15-5,COc1ccc(cc1OC)C(=O)N2CCN(CC2)c3ccc4NC(=O)CCc4c3,non-mutagenic -105-54-4,CCCC(=O)OCC,non-mutagenic -4560-58-1,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(=O)C12C,non-mutagenic -10353-98-7,[O-][N+](=O)c1ccc2cccc3C=Cc1c23,mutagenic -2223-82-7,CC(C)(COC(=O)C=C)COC(=O)C=C,non-mutagenic -103088-83-1,O=C1C=Cc2ccc3c(ccc4ccccc34)c2C1=O,mutagenic -608-25-3,Cc1c(O)cccc1O,non-mutagenic -85-83-6,Cc1ccccc1N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)c(C)c2,mutagenic -80266-02-0,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4cc(ccc24)N=N#N,mutagenic -6754-13-8,C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]3(C)[C@H]1C=CC3=O,non-mutagenic -2307-69-9,CC(C)OS(=O)(=O)c1ccc(C)cc1,mutagenic -102877-14-5,Nc1cccc2nc3cccc(N)c3nc12,non-mutagenic -NOCAS_M323,CN(C)CC[C@@H](c1ccccc1)c2ccccn2,non-mutagenic -100-00-5,[O-][N+](=O)c1ccc(Cl)cc1,mutagenic -13925-00-3,CCc1cnccn1,non-mutagenic -58139-51-8,Nc1nc(cs1)c2cc(cs2)[N+](=O)[O-],mutagenic -215226-73-6,OC(=O)\C(=C(\CCl)/C(Cl)Cl)\Cl,mutagenic -556-18-3,Nc1ccc(C=O)cc1,non-mutagenic -87976-77-0,OS(=O)(=O)OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -6837-97-4,Oc1ccc(Cl)c2C(=O)c3c(O)ccc(Cl)c3C(=O)c12,mutagenic -156-51-4,OS(=O)(=O)ONNCCc1ccccc1,mutagenic -4836-66-2,OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -156243-44-6,CNc1ccc2ncc(C)nc2c1C,mutagenic -42464-80-2,CC(=O)Nc1cccc2ncccc12,non-mutagenic -676-46-0,OC(CC(=O)O)C(=O)O,non-mutagenic -160637-28-5,Cc1ccc2nc3c4C=CC(O)C(O)c4ccc3c(C)c2c1,mutagenic -71439-68-4,C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC4=NCCN4)c5ccccc25)N1,mutagenic -15444-20-9,COc1cc2ccnc3C(=O)c4ccccc4c(c1OC)c23,mutagenic -1555-94-8,CCOc1cccc2cccnc12,non-mutagenic -94-41-7,O=C(\C=C\c1ccccc1)c2ccccc2,non-mutagenic -105-39-5,CCOC(=O)CCl,non-mutagenic -131524-41-9,O\N=C\c1cccc[n+]1CCOCC#C,non-mutagenic -527-61-7,CC1=CC(=O)C=C(C)C1=O,non-mutagenic -555-77-1,ClCCN(CCCl)CCCl,non-mutagenic -3077-85-8,[O-][N+](=O)c1ccc2[nH]c3ccccc3c2c1,mutagenic -105928-88-9,NC(CN=N#N)C(=O)O,mutagenic -90223-04-4,Cn1c(N)nc2cc(O)ccc12,non-mutagenic -81593-11-5,CS(=O)(=O)N1C2C1c3ccccc3c4ccccc24,mutagenic -4812-40-2,OCCn1c(CO)ncc1[N+](=O)[O-],mutagenic -50-24-8,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,non-mutagenic -149127-57-1,CCN=NC(C)(C)OO,non-mutagenic -79-20-9,COC(=O)C,non-mutagenic -79-00-5,ClCC(Cl)Cl,non-mutagenic -100288-36-6,CC1C=C(C=O)C(C=O)C(O)C2CC(C)(C)CC12,non-mutagenic -81-14-1,CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],non-mutagenic -1068-57-1,CC(=O)NN,mutagenic -2835-95-2,Cc1ccc(N)cc1O,mutagenic -107456-13-3,CCCCOC(=O)c1cccc2cccnc12,non-mutagenic -343-27-1,COc1ccc2c(c1)[nH]c3c(C)nccc23,mutagenic -87625-62-5,CC1CC2(OC3OC(CO)C(O)C(O)C3O)C=C(C)C4(CC4)C(C)(O)C2C1=O,mutagenic -88598-58-7,[O-][N+](=O)c1c2CCCCc2c3ccc4cccc5ccc1c3c45,non-mutagenic -149396-89-4,Cn1c(ncc1[N+](=O)[O-])C(O)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C,non-mutagenic -1838-56-8,CC(=O)Nc1cc2Cc3ccccc3c2cc1O,non-mutagenic -7597-18-4,[O-][N+](=O)c1ccc2c[nH]nc2c1,mutagenic -13675-34-8,CC(=C)C(=O)OCCCCCOC(=O)C(=C)C,non-mutagenic -575-41-7,Cc1cc(C)c2ccccc2c1,non-mutagenic -NOCAS_M471,CCCCCCCCCCCC[C@H]1CO1,non-mutagenic -155164-67-3,Cc1ccc(cc1)C(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic -140460-97-5,OC1C2OC2c3c(ccc4cc5c(ccc6ccccc56)nc34)C1O,mutagenic -138805-29-5,Cc1ccc(N)cc1N=Nc2cc(N)ccc2C,mutagenic -51-44-5,OC(=O)c1ccc(Cl)c(Cl)c1,non-mutagenic -36274-29-0,Cc1ncc2CCCc2n1,non-mutagenic -357204-50-3,CCCCON(OC(=O)C)C(=O)c1ccc2ccccc2c1,mutagenic -33868-17-6,CN(N=O)C#N,mutagenic -1897-45-6,Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,non-mutagenic -271-89-6,o1ccc2ccccc12,non-mutagenic -81-88-9,CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,mutagenic -100-97-0,C1N2CN3CN(CN1C3)C2,mutagenic -NOCAS_M460,C[N@+]1([O-])CCC[C@@H]1c2cccnc2,non-mutagenic -2835-68-9,NC(=O)c1ccc(N)cc1,non-mutagenic -4548-53-2,Cc1cc(C)c(cc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -50618-02-5,COc1ccc(cc1)C2OC2C,mutagenic -621-95-4,Nc1ccc(CCc2ccc(N)cc2)cc1,mutagenic -218-01-9,c1ccc2c(c1)ccc3c4ccccc4ccc23,mutagenic -24245-98-5,[O-][N+](=O)c1cccc2nscc12,mutagenic -2437-29-8,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,non-mutagenic -117-61-3,Nc1ccc(c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,non-mutagenic -13132-28-0,[O-][N+](=O)C1=Cc2cccc3cccc1c23,mutagenic -108-21-4,CC(C)OC(=O)C,non-mutagenic -53757-30-5,[O-][N+](=O)c1oc(\C=C/c2csc(NC=O)n2)cc1,mutagenic -116374-64-2,COC(=O)c1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-],mutagenic -17241-59-7,OCc1ccc2C(=O)c3ccccc3C(=O)c2c1,non-mutagenic -54292-63-6,CCN(CC)c1ccc(cc1)N=Nc2cccnc2,non-mutagenic -110-49-6,COCCOC(=O)C,mutagenic -80214-83-1,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)\C(=N\OCOCCOC)\C(C)C(O)C1(C)O,non-mutagenic -23537-16-8,Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1)O,non-mutagenic -613-50-3,[O-][N+](=O)c1ccc2ncccc2c1,mutagenic -191861-16-2,Fc1cc2cccnc2c3cccnc13,mutagenic -106532-69-8,CCCCCCCC(=O)\N=C\1/SN(C(=O)CCCCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic -6149-33-3,Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -17722-71-3,OC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic -79-41-4,CC(=C)C(=O)O,non-mutagenic -607-59-0,CN(C)c1ccc(cc1)N=Nc2cccc3ccccc23,mutagenic -54-88-6,CN(C)c1ccc(N=Nc2ccccc2)c(C)c1,mutagenic -23250-39-7,Nc1c2ccccc2nc3ccc(Cl)cc13,mutagenic -93106-60-6,CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,mutagenic -118745-12-3,CCC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic -NOCAS_M218,BrC[C@@H](Br)COP(=O)(OC[C@H](Br)CBr)OC[C@H](Br)CBr,mutagenic -74340-04-8,OC1C=Cc2c(cc3c4ccccc4c5c6ccccc6cc2c35)C1O,mutagenic -4463-22-3,CC(=O)N(O)c1ccc(cc1)c2ccccc2,mutagenic -2212-99-9,CC1(C)CC2C=C(C=O)C34CC3(C2C1)C(=O)OC4O,mutagenic -NOCAS_M90,C[C@@]1(CO1)c2ccc(cc2)[N+](=O)[O-],mutagenic -31464-26-3,CN(CCC#N)c1ccc(cc1)N=Nc2ccccc2,mutagenic -26761-45-5,CCCCCCC(C)(C)C(=O)OC[C@@H]1CO1,mutagenic -116-14-3,FC(=C(F)F)F,non-mutagenic -138914-14-4,C[C@H](CO)[N+](=O)[O-],non-mutagenic -2390-59-2,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC,mutagenic -15356-70-4,CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,non-mutagenic -117066-30-5,OC1C=Cc2c(ccc3nc4ccc5ccccc5c4cc23)C1O,mutagenic -NOCAS_M84,CC[C@@]12O[C@]1(C(=O)OC)C(=O)O[C@H]2C,mutagenic -NOCAS_M245,CCCCCCOC[C@H]1CO1,mutagenic -85977-49-7,CN(C)S(=O)(=O)CCNC(=O)N(CCCl)N=O,mutagenic -57-50-1,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,non-mutagenic -NOCAS_M461,CCCCCCCCC\C=C\C[C@H]1CC(=O)OC1=O,non-mutagenic -183249-38-9,CC1C=Cc2ccc3ccc4ccccc4c3c12,non-mutagenic -37151-16-9,Nc1nc(nc2c1ncn2C3OC(CO)C(O)C3O)c4ccc(cc4)[N+](=O)[O-],mutagenic -151378-31-3,OC1C(O)c2cccc3c4cc5ccccc5cc4C6(OC16)c23,mutagenic -1169-60-4,COC(=O)c1cc2OCOc2c3c4cccc(OC)c4cc(c13)[N+](=O)[O-],mutagenic -NOCAS_M426,C[C@@H]1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=O)C,non-mutagenic -10396-63-1,OC1COC(Nc2ccc(cc2)[N+](=O)[O-])C(O)C1O,non-mutagenic -110786-18-0,[O-][N+](=O)c1ccccc1COC(=O)c2ccccc2,non-mutagenic -1609-93-4,OC(=O)\C=C\Cl,mutagenic -81943-37-5,CC(=O)OCN(N=O)c1ccccc1,mutagenic -96-54-8,Cn1cccc1,non-mutagenic -574-25-4,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(S)ncnc23,mutagenic -144561-63-7,[O-][N+](=O)c1ccc2c(CCc3cc4CCCCc4cc23)c1,mutagenic -357204-48-9,[O-][N+](=O)c1cccc(c1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -137-07-5,Nc1ccccc1S,mutagenic -88-44-8,Cc1ccc(N)c(c1)S(=O)(=O)O,non-mutagenic -135086-92-9,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccccc4,mutagenic -56-04-2,Cc1cc(O)nc(S)n1,non-mutagenic -NOCAS_M129,ClC(Cl)(Cl)SN1C(=O)[C@@H]2CC=CC[C@H]2C1=O,mutagenic -6203-18-5,CN(C)c1ccc(\C=C\C=O)cc1,non-mutagenic -16568-02-8,C\C=N\N(C)C=O,non-mutagenic -NOCAS_M301,CCO[P@](=O)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,mutagenic -789-07-1,[O-][N+](=O)c1cc2ccc3cccc4ccc(c1)c2c34,mutagenic -142438-60-6,COC(=O)C12OC1(C)C(C)OC2=O,mutagenic -65199-11-3,O=C1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1=O,mutagenic -2106-54-9,OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,non-mutagenic -2381-15-9,Cc1ccc2cc3ccc4ccccc4c3cc2c1,mutagenic -10147-37-2,CC(C)S(=O)(=O)Cl,mutagenic -16323-43-6,OC(=O)\C=C\c1ccc(\C=C\C(=O)O)cc1,non-mutagenic -183249-39-0,O=C1CCc2c3CCCc3c4c(ccc5ccccc45)c12,non-mutagenic -5116-24-5,OC[C@H]1O[C@H](C[C@H]1O)N2C=C(CO)C(=O)NC2=O,mutagenic -18559-59-6,COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC,non-mutagenic -18296-45-2,CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H]1C[C@H](OC(=O)C)[C@]23CO3,mutagenic -99124-76-2,NC(CCCCNC=CC=O)C(=O)O,mutagenic -104-67-6,CCCCCCCC1CCC(=O)O1,non-mutagenic -140-29-4,N#CCc1ccccc1,non-mutagenic -90594-13-1,Nc1cnc2c(c1)nc3ccccn23,mutagenic -17564-64-6,ClCN1C(=O)c2ccccc2C1=O,mutagenic -843-23-2,CC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic -38914-97-5,CCN(CCCl)CCCNc1c2ccccc2nc3ccccc13,mutagenic -35281-32-4,C1Cc2cc3cccc4ccc5cc6cccc1c6c2c5c34,mutagenic -33757-42-5,CC(=O)Nc1cccc2cccnc12,mutagenic -106532-71-2,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3)\c2c1)C(=O)c4ccccc4,mutagenic -612-25-9,OCc1ccccc1[N+](=O)[O-],non-mutagenic -146683-80-9,Cc1cccc2C3OC3c4cc5ccccc5cc4c12,mutagenic -NOCAS_M58,COC(=O)[C@]12O[C@@]1(C)[C@@H](OC2=O)C(C)C,mutagenic -62641-69-4,Cc1c2ccccc2cc3c4[C@H](O)[C@H](O)C=Cc4ccc13,mutagenic -146795-30-4,Cc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic -NOCAS_M161,Cc1ccccc1OC[C@H]2CO2,mutagenic -114-26-1,CNC(=O)Oc1ccccc1OC(C)C,mutagenic -96196-27-9,Cc1cc(N)ccc1c2ccc(N)cc2C,mutagenic -134-09-8,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2N,non-mutagenic -668-17-7,CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3C1C(=O)OC,mutagenic -78-79-5,CC(=C)C=C,non-mutagenic -98911-07-0,CC(=O)N(O)c1ccc(Oc2ccc(Cl)cc2)cc1,mutagenic -51481-10-8,CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O,non-mutagenic -497-19-8,OC(=O)O,non-mutagenic -3811-49-2,COP1(=S)OCc2ccccc2O1,mutagenic -NOCAS_M325,C[C@@]12CC[C@H](C[C@@H]1O2)C=C,non-mutagenic -NOCAS_M352,C[C@H](CCl)OP(=O)(O[C@H](C)CCl)O[C@H](C)CCl,non-mutagenic -11041-12-6,CCC(C)c1cccc(c1)C(C)CC(CC)c2ccc(C[N+](C)(C)C)cc2,non-mutagenic -1874-23-3,COC(=O)c1oc(cc1)[N+](=O)[O-],mutagenic -133831-61-5,[O-][N+](=O)c1ccccc1SSC(=C(Cl)Cl)F,mutagenic -96-50-4,Nc1nccs1,mutagenic -84174-21-0,CN(Cc1ccc(F)cc1)N=O,mutagenic -87-61-6,Clc1cccc(Cl)c1Cl,non-mutagenic -1689-89-0,Oc1c(I)cc(cc1[N+](=O)[O-])C#N,non-mutagenic -122-99-6,OCCOc1ccccc1,non-mutagenic -94-11-1,CC(C)OC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic -6789-88-4,CCCCCCOC(=O)c1ccccc1,non-mutagenic -42576-02-3,COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],mutagenic -609-20-1,Nc1cc(Cl)c(N)c(Cl)c1,mutagenic -6923-22-4,CNC(=O)\C=C(/C)\OP(=O)(OC)OC,mutagenic -NOCAS_M446,COC(=C1[C@H](C(=C(C)N=C1C)C(=O)OC\C=C\c2ccccc2)c3cccc(c3)[N+](=O)[O-])O,non-mutagenic -99520-59-9,Oc1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,mutagenic -481-42-5,CC1=CC(=O)c2c(O)cccc2C1=O,mutagenic -638-07-3,CCOC(=O)CC(=O)CCl,non-mutagenic -67-72-1,ClC(Cl)(Cl)C(Cl)(Cl)Cl,non-mutagenic -13301-61-6,CCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],mutagenic -3048-64-4,C=CC1CC2CC1C=C2,non-mutagenic -135-20-6,ON(N=O)c1ccccc1,mutagenic -107-68-6,CNCCS(=O)(=O)O,non-mutagenic -156-43-4,CCOc1ccc(N)cc1,mutagenic -NOCAS_M43,C(Oc1ccc2sncc2c1)[C@H]3CO3,mutagenic -NOCAS_M29,CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12,mutagenic -73819-63-3,NC(=N)c1ccc2cc([nH]c2c1)C(=N)N,non-mutagenic -NOCAS_M421,C[C@@H](O)c1ccccc1,non-mutagenic -NOCAS_M258,CCc1cc(O)cc2c3CCO[C@@](CC)(CC(=O)O)c3[nH]c12,mutagenic -9000-30-0,CCC1OC(CO)C(COCC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC)C(O)C2O)C(O)C1O,non-mutagenic -530-62-1,O=C(n1ccnc1)n2ccnc2,non-mutagenic -557-30-2,O\N=C\C=N\O,non-mutagenic -5418-93-9,Nc1nc2cc(Cl)ccc2[nH]1,non-mutagenic -7226-23-5,CN1CCCN(C)C1=O,non-mutagenic -135325-62-1,BrCc1ccc2cccc3c4ccccc4c1c23,mutagenic -106532-74-5,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccc(Cl)cc3)\c2c1)C(=O)c4ccc(Cl)cc4,mutagenic -51856-71-4,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N=[N+]([O-])c2cc(c(C)c(c2)[N+](=O)[O-])[N+](=O)[O-],mutagenic -86334-96-5,CC(N(CC1(O)CCC(O)C(O)C1O)N=O)C(=O)O,non-mutagenic -111-90-0,CCOCCOCCO,non-mutagenic -156-10-5,O=Nc1ccc(Nc2ccccc2)cc1,mutagenic -1466-88-2,[O-][N+](=O)c1ccccc1\C=C\C=O,mutagenic -42583-46-0,COc1cc2OC3OC4OC4C3c2c5OC(=O)C6=C(CCC6=O)c15,mutagenic -3328-25-4,CC(C)CCCC(C)C1CCC2C3C=CC4(CC(O)CCC4(C)C3CCC12C)OO,mutagenic -5464-79-9,COc1cccc2sc(N)nc12,mutagenic -2402-78-0,Clc1cccc(Cl)n1,non-mutagenic -78-81-9,CC(C)CN,non-mutagenic -63041-77-0,Cc1cccc2c1cc3ccc4cccc5ccc2c3c45,mutagenic -5306-96-7,Cc1c(C)c(N)ccc1N,non-mutagenic -80440-44-4,O=C1c2cccc3cccc(c4ccc5ccccc5c14)c23,non-mutagenic -633-65-8,COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,non-mutagenic -1147-55-3,CC(=O)Nc1ccc2c(Cc3cccc(O)c23)c1,mutagenic -94-74-6,Cc1cc(Cl)ccc1OCC(=O)O,non-mutagenic -17024-17-8,[O-][N+](=O)c1cccc2c1ccc3ccccc23,mutagenic -96-18-4,ClCC(Cl)CCl,mutagenic -148021-80-1,OC1C=Cc2c(ccc3c4CCC(=O)c4ccc23)C1O,mutagenic -4651-67-6,CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(O)CC4CC3=O,non-mutagenic -2243-78-9,Nc1ccc(cc1)c2ccc(N)cc2[N+](=O)[O-],mutagenic -142762-84-3,COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,mutagenic -58957-92-9,CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,mutagenic -448-19-1,COc1cc(F)ccc1[N+](=O)[O-],mutagenic -29700-20-7,OCc1oc(cc1)c2[nH]ccc3c4ccccc4nc23,mutagenic -131119-02-3,Cn1c2ccccc2c3nn[n+]([O-])c(C(=O)OCCCl)c13,mutagenic -179073-71-3,Cc1ccc2cc3c(ccc4ccccc34)c5C(Cc1c25)OS(=O)(=O)O,mutagenic -174794-16-2,CCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic -578-68-7,Nc1ccnc2ccccc12,non-mutagenic -13394-86-0,Cc1ccccc1c2ccc(N)c(C)c2,mutagenic -64-02-8,OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,non-mutagenic -89873-24-5,N#N=Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic -39081-15-7,Oc1cccc2cc3c4ccccc4c5ccccc5c3cc12,mutagenic -915-67-3,Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)O)c4ccc(cc4cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -131-53-3,COc1ccc(C(=O)c2ccccc2O)c(O)c1,mutagenic -4130-42-1,CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic -157730-35-3,Cn1c(N)nc2nc3cnccc3cc12,mutagenic -16533-72-5,OC(=O)C1OC1C(=O)O,non-mutagenic -96-45-7,S=C1NCCN1,mutagenic -3096-62-6,Cc1cccc(NO)c1C,mutagenic -95-95-4,Oc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -58917-91-2,OC1=c2c(O)cc3cccc4ccc(c2c34)C56CCCCC15O6,mutagenic -112575-92-5,O[C@H]1C=C2c3cc4ccccc4cc3c5cccc([C@@H]1O)c25,mutagenic -521-61-9,COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1,mutagenic -482-44-0,CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,mutagenic -88-17-5,Nc1ccccc1C(F)(F)F,non-mutagenic -115664-58-9,Oc1ccc2c(c1)c3cccc4c(ccc2c34)[N+](=O)[O-],mutagenic -99520-66-8,Oc1cc2ccc3c4ccccc4c5cc6cccc1c6c2c35,non-mutagenic -69527-46-4,[O-][N+](=O)c1oc(C=C(C#N)C#N)cc1,mutagenic -313-67-7,COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],mutagenic -148174-23-6,ClCCC(=O)\N=C\1/SN(C(=O)CCCl)c2ccccc12,non-mutagenic -5329-15-7,COc1cc(N)ccc1NC(=O)C,mutagenic -6309-46-2,CC(=O)Oc1ccc(CO)cc1,non-mutagenic -NOCAS_M66,OC[C@@H](O)CN=[N+]=[N-],mutagenic -28434-86-8,Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl,mutagenic -17796-82-6,O=C1N(SC2CCCCC2)C(=O)c3ccccc13,non-mutagenic -62826-28-2,COc1ccccc1CC2CO2,mutagenic -146177-64-2,Cc1cc2c(nc(N)n2C)c3nc(cnc13)c4ccccc4,mutagenic -101-70-2,COc1ccc(Nc2ccc(OC)cc2)cc1,non-mutagenic -55621-29-9,CCCCN(C[C@H](O)CC)N=O,mutagenic -18409-46-6,O=C\C=C\C=C\C=O,mutagenic -160543-15-7,Cc1ccc2nc3c4C=CC(O)C(O)c4ccc3c(CO)c2c1,mutagenic -108-99-6,Cc1cccnc1,non-mutagenic -100-37-8,CCN(CC)CCO,non-mutagenic -100593-23-5,[O-][N+](=O)c1ccc2ccc3ccc(N=O)c4ccc1c2c34,mutagenic -14090-00-7,COc1c(C)c(N)c(C)cc1N,non-mutagenic -NOCAS_M208,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1SCCN1N=O,mutagenic -143603-79-6,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(NC(=O)C)cc3,mutagenic -106532-78-9,[O-][N+](=O)c1ccc(cc1)C(=O)\N=C\2/SN(C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc24)[N+](=O)[O-],mutagenic -500-66-3,CCCCCc1cc(O)cc(O)c1,non-mutagenic -10161-33-8,CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O,non-mutagenic -24225-71-6,CC(=O)N(Nc1ccc2c(Cc3ccccc23)c1)c4ccc5c(Cc6ccccc56)c4,mutagenic -389104-55-6,CC(C)(C)c1c(N)ccc2ccccc12,non-mutagenic -75776-00-0,CNc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic -1629-58-9,CCC(=O)C=C,mutagenic -97509-27-8,O[C@@H]1C=Cc2c(cc3ccccc3c2[N+](=O)[O-])[C@H]1O,mutagenic -1679-02-3,Cc1ccc2ccc3c4ccc5c(C)cccc5c4ccc3c2c1,non-mutagenic -372-47-4,Fc1cccnc1,non-mutagenic -144651-75-2,OC(=O)C1Cc2c([nH]c3ccccc23)C(Cc4ccccc4O)N1,non-mutagenic -593-56-6,CON,non-mutagenic -104-87-0,Cc1ccc(C=O)cc1,non-mutagenic -132059-52-0,OC1OC(=O)C(=C1C(Br)Br)Cl,mutagenic -456-27-9,[O-][N+](=O)c1ccc(cc1)[N+]#N,mutagenic -7470-44-2,C([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic -518-83-2,Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1,mutagenic -1122-54-9,CC(=O)c1ccncc1,non-mutagenic -81924-79-0,CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic -35282-72-5,CN(C)c1ccc(cc1)N=Nc2cccc(CCl)c2,mutagenic -80984-66-3,N1C2C1c3cccc4C5NC5c6cccc2c6c34,mutagenic -17413-38-6,COc1cc(O)cc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],non-mutagenic -39115-11-2,OC[C@H]1O[C@@H](Oc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic -75-38-7,FC(=C)F,mutagenic -67-20-9,[O-][N+](=O)c1oc(\C=N\N2CC(=O)NC2=O)cc1,mutagenic -114-83-0,CC(=O)NNc1ccccc1,mutagenic -2876-22-4,Nc1cccc2nc3ccccc3nc12,mutagenic -749-49-5,COc1ccc2nccc(C(OC(=O)C(C)O)C3CC4CCN3CC4C=C)c2c1,non-mutagenic -142438-64-0,CCC1=C(C(=O)OC)C(=O)OC1C,mutagenic -635-27-8,Clc1cccc2ncccc12,mutagenic -NOCAS_M230,C[C@@H](O)CN(CC(=O)C)N=O,mutagenic -362-74-3,CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC,non-mutagenic -3074-00-8,O=C1c2cccc3ccc4ccc5cccc1c5c4c23,non-mutagenic -108-44-1,Cc1cccc(N)c1,non-mutagenic -60129-67-1,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic -16813-36-8,O=NN1CCC(=O)NC1=O,mutagenic -86853-93-2,O=C1c2ccccc2c3c1ccc4ccc5ccccc5c34,non-mutagenic -423-39-2,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I,non-mutagenic -40911-07-7,CCCCN(CC[C@@H](C)O)N=O,mutagenic -613-12-7,Cc1ccc2cc3ccccc3cc2c1,mutagenic -112965-21-6,CC(\C=C\C(O)C1CC1)C2CCC3\C(=C\C=C\4/CC(O)CC(O)C4=C)\CCCC23C,non-mutagenic -121-89-1,CC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic -124-70-9,C[Si](Cl)(Cl)C=C,mutagenic -546-80-5,CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2,non-mutagenic -71339-55-4,Cc1c2ccccc2c(CO)c3ccccc13,mutagenic -36504-68-4,C1Cc2cc3ccc4cccc5ccc(c2[C@@H]6O[C@H]16)c3c45,mutagenic -610-48-0,Cc1cccc2cc3ccccc3cc12,non-mutagenic -3958-60-9,[O-][N+](=O)c1ccccc1CBr,non-mutagenic -116911-14-9,OCC(O)C(N=N#N)c1ccccc1,mutagenic -60-29-7,CCOCC,non-mutagenic -614-48-2,[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1,non-mutagenic -4261-16-9,Nc1c2ncn(Cc3ccccc3)c2nc[n+]1[O-],mutagenic -933-88-0,Cc1ccccc1C(=O)Cl,mutagenic -64811-02-5,OS(=O)(=O)Oc1c2ccccc2c3ccc4cccc5ccc1c3c45,non-mutagenic -NOCAS_M10,CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,mutagenic -244775-76-6,CCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic -1034-41-9,OC1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,non-mutagenic -98-86-2,CC(=O)c1ccccc1,non-mutagenic -52171-93-4,CC1=CCCc2c1cc(C)c3c2ccc4ccccc34,mutagenic -116355-83-0,CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic -336629-39-1,CCCOc1cc(c(OC)cc1N\N=C(/C(=O)C)\C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3cc(OCCC)c(N\N=C(/C(=O)C)\C(=O)Nc4ccc(cc4)[N+](=O)[O-])cc3OC,mutagenic -56438-59-6,COc1ccc(CCC2CO2)cc1,mutagenic -4337-51-3,[O-][N+](=O)c1ccc2C(=O)NSc2c1,mutagenic -59-92-7,N[C@H](Cc1ccc(O)c(O)c1)C(=O)O,mutagenic -2634-33-5,Oc1nsc2ccccc12,non-mutagenic -523-50-2,O=C1Oc2c(C=C1)ccc3occc23,non-mutagenic -491-80-5,COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,non-mutagenic -1503-91-9,CC(=O)N(O)c1ccc(Cl)cc1,non-mutagenic -17177-50-3,OCC(O)C1CO1,mutagenic -123-31-9,Oc1ccc(O)cc1,non-mutagenic -98114-60-4,CCN=NO,mutagenic -63358-49-6,CNC(=O)CC(N)C(=O)NC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3,non-mutagenic -55022-75-8,O1C2C1C3N=NC2C4OC34,non-mutagenic -26541-56-0,CC(=O)ON(C(=O)C)c1ccc(cc1)c2ccccc2,mutagenic -27729-98-2,Fc1ccc(cc1)C2OC2C(=O)c3ccccc3,non-mutagenic -103-84-4,CC(=O)Nc1ccccc1,non-mutagenic -102-81-8,CCCCN(CCO)CCCC,non-mutagenic -99523-86-1,Cc1ccc2nsc(N)c2c1,mutagenic -102408-25-3,Cn1c(N)nc2ccc3ncccc3c12,mutagenic -520-18-3,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,mutagenic -NOCAS_M401,Oc1cccc2OC(=O)C(=Cc12)[C@@H]3CCc4ccccc4C3,non-mutagenic -484-20-8,COc1c2C=CC(=O)Oc2cc3occc13,mutagenic -13345-26-1,Oc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic -66452-61-7,CC(C)Sc1cc(Cc2ccc(N)c(SC(C)C)c2)ccc1N,mutagenic -75-25-2,BrC(Br)Br,mutagenic -54-21-7,OC(=O)c1ccccc1O,non-mutagenic -13256-32-1,CNC(=O)N(C)N=O,mutagenic -90098-04-7,OC(=O)C(Cc1cc(O)nc2ccccc12)NC(=O)c3ccc(Cl)cc3,non-mutagenic -71807-56-2,Cc1[nH]cnc1CSCCN=C(NCC#C)NC#N,non-mutagenic -NOCAS_M152,CC(C)(COC[C@H]1CO1)COC[C@H]2CO2,mutagenic -102-06-7,N=C(Nc1ccccc1)Nc2ccccc2,mutagenic -5405-41-4,CCOC(=O)CC(C)O,non-mutagenic -38915-40-1,CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCN(CC)CCCl)c2n1,mutagenic -135626-95-8,CC1(CC(O)C2(C)C(CCC3C4(C)CCCC23OC4=O)C1)C=C,non-mutagenic -129018-59-3,Cn1c(nc2ncc(cc12)c3ccccc3)[N+](=O)[O-],mutagenic -475-38-7,Oc1ccc(O)c2C(=O)C=CC(=O)c12,mutagenic -106532-67-6,CC(C)CC(=O)\N=C\1/SN(C(=O)CC(C)C)c2ccc(cc12)[N+](=O)[O-],mutagenic -19202-92-7,C[C@@H]1C[C@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](O[C@]3(C)O)[C@]4(C)[C@H]1C=CC4=O,non-mutagenic -13379-35-6,COc1ccc2Oc3cc(OC)cc(O)c3C(=O)c2c1,mutagenic -94764-55-3,[O-][N+](=O)c1ccc2c(c1)sc3ccccc23,mutagenic -298-18-0,C1O[C@H]1[C@H]2CO2,mutagenic -33424-05-4,C1O[C@@H]1c2cc3ccccc3c4ccccc24,mutagenic -67450-45-7,CCC(=O)N(C1CCCC1N(C)C)c2ccc(Cl)c(Cl)c2,non-mutagenic -149396-90-7,Cc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(c1)C(C)(C)C,non-mutagenic -437-50-3,COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1,mutagenic -112-80-1,CCCCCCCC\C=C\CCCCCCCC(=O)O,non-mutagenic -34041-03-7,CN(C)C(=S)SNCCNSC(=S)N(C)C,mutagenic -97-41-6,CCOC(=O)C1C(C=C(C)C)C1(C)C,non-mutagenic -41830-80-2,Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1,mutagenic -129129-64-2,CN1C=CN(CCC[n+]2ccc(cc2)C(=O)N)C1\C=N\O,non-mutagenic -148193-37-7,Nc1ccc2C(=O)NSc2c1,non-mutagenic -104775-36-2,CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1,non-mutagenic -107-16-4,OCC#N,non-mutagenic -6264-66-0,Nc1ccc(Oc2ccc(N)c(N)c2)cc1,mutagenic -34592-47-7,OC(=O)[C@@H]1CSCN1,non-mutagenic -7251-61-8,Cc1cnc2ccccc2n1,non-mutagenic -2068-78-2,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,non-mutagenic -160543-06-6,Cc1ccc2c(CO)c3ccc4ccccc4c3nc2c1,non-mutagenic -90-19-7,COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O,mutagenic -88193-04-8,Cc1cc2[nH]c3cc(C)c4ccccc4c3c2c5ccccc15,mutagenic -10353-53-4,C=CCCC1CO1,mutagenic -5836-85-1,COc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic -97-99-4,OCC1CCCO1,non-mutagenic -210245-96-8,CN(C)c1ccc(cc1)N=Nc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2,non-mutagenic -92382-74-6,CCN(CC)[N+](=NO)[O-],mutagenic -98096-09-4,Cc1ccc2C(=O)c3cccc4ccc1c2c34,mutagenic -146818-20-4,CCc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic -31120-85-1,CCOP(=O)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,mutagenic -642-83-1,CC(=O)OC1C2OC(=O)C(OC(=O)C)C2OC1=O,non-mutagenic -128753-93-5,CC12OOC1(CO)Oc3ccccc23,non-mutagenic -1193-54-0,ClC1=C(Cl)C(=O)NC1=O,mutagenic -501-92-8,Oc1ccc(CC=C)cc1,non-mutagenic -140-88-5,CCOC(=O)C=C,non-mutagenic -NOCAS_M9,ClC[C@H](Br)CBr,mutagenic -2431-96-1,CCN(CC)C(=O)Cc1ccccc1,non-mutagenic -88-96-0,NC(=O)c1ccccc1C(=O)N,non-mutagenic -107-21-1,OCCO,non-mutagenic -106636-46-8,Cc1cn2c(N=O)c(nc2s1)c3ccc(cc3)[N+](=O)[O-],mutagenic -158366-46-2,CC(=O)c1c(cc([N+](=O)[O-])n1[N+](=O)[O-])[N+](=O)[O-],mutagenic -145241-76-5,Fc1ccc2cccnc2c1F,mutagenic -51357-79-0,Nc1snc2ccc(Cl)cc12,mutagenic -113058-39-2,Oc1cccc2c3cc4ccccc4cc3c5ccccc5c12,mutagenic -71-33-0,O=C1NC=NC(=O)N1,non-mutagenic -125369-84-8,[O-][N+](=O)c1ccccc1\C=C\C=C(/C#N)\c2ccc(Br)cc2,mutagenic -99-04-7,Cc1cccc(c1)C(=O)O,non-mutagenic -2883-98-9,COc1cc(OC)c(\C=C\C)cc1OC,mutagenic -1875-48-5,NN1C(=O)c2ccccc2C1=O,non-mutagenic -655-86-7,Nc1cc2nc3ccccc3nc2cc1N,mutagenic -149862-57-7,CC(C)CCNc1snc2ccccc12,non-mutagenic -3416-21-5,Cc1ccc2cc3c4ccccc4C5OC5c3c6CCc1c26,mutagenic -2458-12-0,Cc1ccc(cc1N)C(=O)O,mutagenic -15562-42-2,COc1ccc2C(=O)c3nccc4cc(OC)c(OC)c(c2c1)c34,non-mutagenic -62018-91-1,CCCCN(C[C@H](O)CCO)N=O,mutagenic -143922-96-7,Cc1c(N)cccc1N=[N+]([O-])c2cccc(N)c2C,mutagenic -114838-69-6,CC(=O)O[C@@H]1[C@]2(C)C[C@]2(C=O)C(=C3CC(C)(C)C[C@]13O)C=O,mutagenic -24903-48-8,c1ccc2c(c1)ccc3cc4c(ccc5ccncc45)cc23,mutagenic -102-50-1,COc1ccc(N)c(C)c1,mutagenic -6313-44-6,[O-][N+](=O)C1c2ccccc2C(=O)c3ccccc13,non-mutagenic -58917-67-2,OC1C2OC2c3c(cc4ccc5cccc6ccc3c4c56)C1O,mutagenic -693-98-1,Cc1ncc[nH]1,non-mutagenic -76150-91-9,Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,non-mutagenic -13256-06-9,CCCCCN(CCCCC)N=O,mutagenic -42397-64-8,[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-],mutagenic -21259-20-1,CC(C)CC(=O)OC1CC2(COC(=O)C)C(OC3C(O)C(OC(=O)C)C2(C)C34CO4)C=C1C,mutagenic -112-52-7,CCCCCCCCCCCCCl,non-mutagenic -131119-01-2,Cn1c(CC(=O)OCCCl)c(C(=O)O)c2ccccc12,mutagenic -1028-11-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic -32692-19-6,[O-][N+](=O)c1ccc2NCCc2c1,mutagenic -81-55-0,Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-])[N+](=O)[O-],mutagenic -482-89-3,Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O,mutagenic -59283-76-0,Cc1c(NO)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -930-68-7,O=C1CCCC=C1,non-mutagenic -67028-20-0,Cc1cccc2cc3ccc4ccccc4c3nc12,non-mutagenic -555-84-0,[O-][N+](=O)c1oc(\C=N\N2CCNC2=O)cc1,mutagenic -13909-09-6,CC1CCC(CC1)NC(=O)N(CCCl)N=O,mutagenic -147151-64-2,CC12CCC3C(CCC4=CC(=O)NCCC34C)C1CCC2OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl,non-mutagenic -159416-83-8,COc1cc(C)cc2c(O)c(cc(O)c12)c3c(C)cc4c(O)ccc(O)c4c3OC,non-mutagenic -90597-22-1,NC1=NC(=O)N(C=C1)C2C=C(CO)C(O)C2O,non-mutagenic -21313-86-0,Nc1[nH]cnc2nc(nc12)c3ccc(cc3)[N+](=O)[O-],mutagenic -86334-97-6,OC1CCC(O)(CN(N=O)C(Cc2ccccc2)C(=O)O)C(O)C1O,non-mutagenic -58139-46-1,[O-][N+](=O)c1ccc(s1)c2csc(NC=O)n2,mutagenic -6344-63-4,Nc1cccc2c1Cc3ccccc23,mutagenic -106232-36-4,O=Nc1[nH]cnc1c2ccccc2,mutagenic -18883-66-4,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,mutagenic -96563-07-4,CC1c2ccccc2c3cc(C)ccc13,mutagenic -597-25-1,COP(=O)(OC)N1CCOCC1,non-mutagenic -491-59-8,Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,mutagenic -105-87-3,CC(=CCC\C(=C/COC(=O)C)\C)C,non-mutagenic -136950-74-8,CC(=O)c1ccc2[nH]c3c(C)cc(c(C)c3c2c1)[N+](=O)[O-],mutagenic -91085-62-0,Cl\C=C(\Cl)/SCc1ccccc1,mutagenic -116-54-1,COC(=O)C(Cl)Cl,mutagenic -58683-84-4,COc1cc(ccc1[N+](=O)[O-])N=Nc2ccccc2,mutagenic -17804-35-2,CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,non-mutagenic -1747-60-0,COc1ccc2nc(N)sc2c1,mutagenic -13743-07-2,NC(=O)N(CCO)N=O,mutagenic -129812-24-4,CC1=CC(=O)Oc2cc3OC4(C)OOC4(C)c3cc12,mutagenic -159092-73-6,[O-][N+](=O)c1ccc2c(cc3ccccc3c2c1)[N+](=O)[O-],mutagenic -476-71-1,COc1cc2CCN(C)C3Cc4cc5OCOc5cc4c(c1O)c23,non-mutagenic -67019-26-5,CCCCCCCC(=O)Nc1snc2ccccc12,non-mutagenic -101489-25-2,COc1ccc(O)c2C(=O)c3c(OC)cc4OC5OCCC5c4c3Oc12,non-mutagenic -106532-72-3,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3Cl)\c2c1)C(=O)c4ccccc4Cl,mutagenic -75-91-2,CC(C)(C)OO,mutagenic -112654-68-9,ClC(=C1OC(=O)C(=C1)Cl)Cl,mutagenic -13109-99-4,[O-][N+](=O)c1cnc(s1)N2CCCC2=O,mutagenic -124489-20-9,Cn1c(NO)nc2ncc(cc12)c3ccccc3,mutagenic -63449-41-2,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,non-mutagenic -21884-44-6,Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O)O,non-mutagenic -65267-04-1,NC(=O)CNC(=O)N(CCCl)N=O,mutagenic -279242-11-4,CC(C)(C)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],non-mutagenic -3244-90-4,CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC,non-mutagenic -111249-52-6,Cc1cc(N)c(C)c2c3ccccc3[nH]c12,mutagenic -4196-87-6,CC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,non-mutagenic -129812-30-2,CC12OOC1(C)c3ccc4cccnc4c3O2,non-mutagenic -123-92-2,CC(C)CCOC(=O)C,non-mutagenic -NOCAS_M291,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C(=CC[C@H](C=C12)C(=C)C)C,mutagenic -28342-33-8,COc1ccc2c3ccc4cc5OCOc5cc4c3N(C)C(=O)c2c1OC,mutagenic -220168-43-4,Cc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -1516-74-1,N#N=Nc1nc2ccccc2[nH]1,mutagenic -146-68-9,[O-][N+](=O)c1ccc(cc1)n2nc(n[n+]2c3ccc(I)cc3)c4ccccc4,non-mutagenic -873-76-7,OCc1ccc(Cl)cc1,non-mutagenic -127-47-9,CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,non-mutagenic -70222-95-6,COc1cccc2C(=O)c3c(O)c4C(CC(O)(Cc4c(O)c3C(=O)c12)C(=O)CO)OC5CC(C(O)C(C)O5)N(C)C,mutagenic -107210-39-9,CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(CCOC(=O)C)CCOC(=O)C,mutagenic -6810-26-0,ONc1ccc(cc1)c2ccccc2,mutagenic -98-11-3,OS(=O)(=O)c1ccccc1,non-mutagenic -159092-80-5,[O-][N+](=O)c1ccc2c(c1)c(cc3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic -125369-76-8,Cc1ccc(cc1)\C(=C\C=C\c2ccccc2[N+](=O)[O-])\C#N,mutagenic -72492-12-7,CC(=O)c1ccc2OC3(CC3)C(=O)c2c1,non-mutagenic -97-42-7,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,non-mutagenic -33175-34-7,ONc1ccc(Cl)c(Cl)c1,non-mutagenic -110-21-4,NC(=O)NNC(=O)N,non-mutagenic -55556-93-9,OC1CCN(CC1)N=O,mutagenic -83287-02-9,COc1ccc2c(c1)C(=O)c3c(OC)c(OC)cc4ccnc2c34,mutagenic -19622-55-0,Cn1c(ncc1[N+](=O)[O-])c2nnc(N)s2,mutagenic -67508-86-5,CN[C@H]1C[C@@H](O[C@H]2C[C@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)C)O[C@@H](C)[C@@H]1O,mutagenic -7422-80-2,CCCCN(N)CCCC,non-mutagenic -3333-66-2,Cc1c(C)c2c(Cl)c3ccccc3nc2c4ccccc14,mutagenic -128-95-0,Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,mutagenic -55965-84-9,CN1SC(=CC1=O)Cl,mutagenic -108-37-2,Clc1cccc(Br)c1,non-mutagenic -98-82-8,CC(C)c1ccccc1,non-mutagenic -79-06-1,NC(=O)C=C,non-mutagenic -121-17-5,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,non-mutagenic -5470-37-1,CC1NC(Cc2c1[nH]c3ccccc23)C(=O)O,non-mutagenic -120-75-2,Cc1nc2ccccc2s1,non-mutagenic -73870-33-4,O=NN1CCSC1,mutagenic -121625-60-3,CC12OC1C3CCCCC3c4ccccc24,non-mutagenic -83053-60-5,CCCCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic -111955-14-7,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N(N=O)c2ccc(cc2)[N+](=O)[O-],mutagenic -7763-77-1,Cl[C@@H]1CO1,mutagenic -621-96-5,Nc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic -6190-65-4,CC(C)Nc1nc(N)nc(Cl)n1,non-mutagenic -NOCAS_M182,CC[C@@H](C)COC(=O)\C=C\c1ccc(cc1)\N=C\c2ccc(OC)cc2,mutagenic -607-35-2,[O-][N+](=O)c1cccc2cccnc12,mutagenic -130536-38-8,OC1C=Cc2ncccc2C1O,non-mutagenic -91-62-3,Cc1ccc2ncccc2c1,mutagenic -185-70-6,C1CCC2(CC1)CO2,non-mutagenic -NOCAS_M224,C1CC[C@H]2O[C@H]2C1,mutagenic -108-67-8,Cc1cc(C)cc(C)c1,non-mutagenic -88-73-3,[O-][N+](=O)c1ccccc1Cl,mutagenic -2381-39-7,Cc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -86-50-0,COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,mutagenic -25081-31-6,OC(=O)CN(CC(=O)O)N=O,mutagenic -117929-15-4,[O-][N+](=O)c1cc2ccc3cc(cc4ccc(c1)c2c34)[N+](=O)[O-],mutagenic -72999-11-2,COC(=O)\C(=C\c1occc1)\[N+](=O)[O-],non-mutagenic -17433-31-7,CC(=O)NNC(=O)c1ccccn1,non-mutagenic -170660-63-6,ClC1C(=O)NC(=O)C1=C(Cl)Cl,mutagenic -77500-04-0,Cc1cnc2ccc3c(nc(N)n3C)c2n1,mutagenic -163275-67-0,Fc1cccc2ccc3ncccc3c12,mutagenic -52744-22-6,CC(=O)C1(O)CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1,mutagenic -1069-55-2,CC(C)COC(=O)C(=C)C#N,non-mutagenic -619-90-9,CC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic -NOCAS_M338,CC(=O)O[C@H]1[C@H](O)[C@@H]2O[C@H]3C=C(C)C(=O)[C@H](O)[C@@]3(CO)[C@@]1(C)[C@@]24CO4,non-mutagenic -105427-03-0,O=C(Nc1ccccc1)C2CO2,mutagenic -523-47-7,CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,non-mutagenic -NOCAS_M126,COC(=O)[C@]12O[C@@]1(C)[C@@](C)(O)NC2=O,mutagenic -20589-63-3,[O-][N+](=O)c1ccc2c3cccc4cccc(c5cccc1c25)c34,mutagenic -446-86-6,Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-],mutagenic -16665-89-7,CCc1cccc(CC)c1NC(=O)C,non-mutagenic -NOCAS_M372,NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2O,non-mutagenic -14953-62-9,[O-][N+](=O)c1[nH]cnc1c2ccccc2,mutagenic -106-27-4,CCCC(=O)OCCC(C)C,non-mutagenic -493-52-7,CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O,mutagenic -885-62-1,OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -110690-43-2,CCOCN1C=C(F)C(=O)N(C(=O)c2cccc(c2)C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)C1=O,non-mutagenic -3787-28-8,ClC(=C(Cl)C=O)Cl,mutagenic -928-73-4,NC(=O)N\N=C\C(=O)O,non-mutagenic -163275-65-8,Fc1cnc2ccc3ccccc3c2c1,mutagenic -50-84-0,OC(=O)c1ccc(Cl)cc1Cl,non-mutagenic -304-28-9,CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,mutagenic -97747-88-1,CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)\C=C\CO)C4CCC5=CC(=O)CCC5=C24,non-mutagenic -95896-78-9,Cc1cnc2cc(C)c3c(nc(N)n3C)c2n1,mutagenic -2752-54-7,CC(C)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic -95-84-1,Cc1ccc(O)c(N)c1,mutagenic -125973-99-1,ClCC1=CC(=O)OC1,mutagenic -63390-11-4,Nc1ccc(cc1)c2cc(Cl)c(N)c(Cl)c2,mutagenic -54522-53-1,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic -2945-96-2,COc1cc(N=Nc2ccc(N)cc2)c(C)cc1N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)O,mutagenic -62681-13-4,CCOC(=O)N(CCOC(=O)C)N=O,mutagenic -3531-19-9,Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -16757-83-8,Cc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic -94-70-2,CCOc1ccccc1N,non-mutagenic -33399-00-7,CCOP(=O)(OCC)O\C(=C/Br)\c1ccc(Cl)cc1Cl,non-mutagenic -10227-50-6,O=C1NCCN1c2nccs2,mutagenic -19083-00-2,CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic -134109-01-6,OC1C(O)c2c(Cl)c3ccccc3cc2c4ccccc14,non-mutagenic -91254-92-1,Oc1cc2cccc3ccc4ccc(c1c4c23)[N+](=O)[O-],mutagenic -60877-85-2,[O-][N+](=O)c1ccc(\C=N\c2snc3c(Cl)cc(Cl)cc23)cc1,mutagenic -96839-34-8,OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -670-54-2,N#CC(=C(C#N)C#N)C#N,non-mutagenic -98079-51-7,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,mutagenic -87-44-5,C\C\1=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CC1,non-mutagenic -64283-13-2,OC1C(O)c2c3ccccc3cc4ccc5cccc1c5c24,mutagenic -8065-48-3,CCOP(=S)(OCC)OCCSCC,mutagenic -10114-58-6,Nc1ccc(N=Nc2cccc(c2)N=Nc3ccc(N)cc3N)c(N)c1,mutagenic -918-00-3,CC(=O)C(Cl)(Cl)Cl,mutagenic -96-69-5,Cc1cc(O)c(cc1Sc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,non-mutagenic -525-03-1,NC1c2ccccc2c3ccccc13,non-mutagenic -822-36-6,Cc1c[nH]cn1,non-mutagenic -NOCAS_M398,CCCC[C@@H](CC)CN,non-mutagenic -NOCAS_M95,C([C@H]1CO1)c2ccc(Cc3ccccc3)cc2,mutagenic -58-94-6,NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl,non-mutagenic -NOCAS_M255,O1[C@@H]2[C@H]1c3c(c4ccccc24)c5ccccc5c6ccccc36,mutagenic -79-92-5,CC1(C)[C@@H]2CC[C@@H](C2)C1=C,non-mutagenic -NOCAS_M289,CC(C)[C@@H]1CC[C@@H](C)CC1=O,mutagenic -36164-42-8,CC(=O)Nc1ccc2cccnc2c1,mutagenic -NOCAS_M92,O[C@@H]1Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic -NOCAS_M374,CC(C)CC[C@@H](C)Nc1ccc(N[C@H](C)CCC(C)C)cc1,non-mutagenic -91991-18-3,CC(=O)Nc1snc2ccc(Cl)cc12,mutagenic -51-36-5,OC(=O)c1cc(Cl)cc(Cl)c1,non-mutagenic -126-99-8,ClC(=C)C=C,non-mutagenic -70987-78-9,Cc1ccc(cc1)S(=O)(=O)OCC2CO2,mutagenic -514-78-3,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)CCC2(C)C,non-mutagenic -5679-89-0,Cc1ccc(cc1[N+](=O)[O-])N=[N+]([O-])c2ccc(C)c(c2)[N+](=O)[O-],non-mutagenic -53693-67-7,Nc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(N)cc4,non-mutagenic -32784-82-0,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,mutagenic -64099-26-9,COc1nsc2ccc(cc12)[N+](=O)[O-],mutagenic -106-99-0,C=CC=C,mutagenic -610-39-9,Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -2873-97-4,CC(=O)CC(C)(C)NC(=O)C=C,non-mutagenic -2310-17-0,CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,non-mutagenic -50782-69-9,CCOP(=O)(C)SCCN(C(C)C)C(C)C,non-mutagenic -142713-64-2,COc1cc(CNC(=O)C(C)Br)ccc1O,mutagenic -533-74-4,CN1CSC(=S)N(C)C1,mutagenic -5806-00-8,Cc1c(cccc1[N+](=O)[O-])N=[N+]([O-])c2cccc(c2C)[N+](=O)[O-],non-mutagenic -115-32-2,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,non-mutagenic -16338-97-9,C=CCN(CC=C)N=O,mutagenic -459-56-3,OCc1ccc(F)cc1,non-mutagenic -2675-77-6,COc1cc(Cl)c(OC)cc1Cl,mutagenic -110-18-9,CN(C)CCN(C)C,non-mutagenic -4430-25-5,Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Br)c(O)c(Br)c4,non-mutagenic -4801-39-2,NCC(=O)Nc1ccccc1,mutagenic -93673-37-1,O[C@H]1C=Cc2c(ccc3c4C=Cc5cccc(cc23)c45)[C@@H]1O,mutagenic -626-17-5,N#Cc1cccc(c1)C#N,non-mutagenic -101-84-8,O(c1ccccc1)c2ccccc2,non-mutagenic -6146-52-7,[O-][N+](=O)c1ccc2[nH]ccc2c1,mutagenic -66789-78-4,CC(C)CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic -61841-39-2,Nc1ccc(cc1)c2ccc(N)c(c2)[N+](=O)[O-],mutagenic -91-08-7,Cc1c(cccc1N=C=O)N=C=O,mutagenic -24463-15-8,OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic -86803-19-2,ClCc1cccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic -56-55-3,c1ccc2cc3c(ccc4ccccc34)cc2c1,mutagenic -159092-75-8,[O-][N+](=O)c1cccc2c(cc3ccccc3c12)[N+](=O)[O-],mutagenic -120404-27-5,OCCNc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO,non-mutagenic -1197-01-9,Cc1ccc(cc1)C(C)(C)O,non-mutagenic -7269-58-1,Nc1nc(NO)c2ncn(C3OC(CO)C(O)C3O)c2n1,mutagenic -138-42-1,OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],non-mutagenic -41372-08-1,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,non-mutagenic -6959-47-3,ClCc1ccccn1,mutagenic -93673-33-7,O1C2C1c3c4c2cccc4cc5ccc6ccccc6c35,mutagenic -122-57-6,CC(=O)\C=C/c1ccccc1,mutagenic -146795-33-7,CCc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic -1929-82-4,Clc1cccc(n1)C(Cl)(Cl)Cl,mutagenic -461-58-5,NC(=N)NC#N,mutagenic -108-01-0,CN(C)CCO,non-mutagenic -100690-33-3,CCCCCOc1ccc(cc1)N=O,mutagenic -39179-91-4,Cc1ccc(NCCCl)cc1,mutagenic -95-48-7,Cc1ccccc1O,non-mutagenic -111712-49-3,BrCC(Br)CCOP(=O)(OCCC(Br)CBr)OCCC(Br)CBr,non-mutagenic -132297-89-3,COc1ccc2nc3c(cc2c1)c4cccc5cccc3c45,mutagenic -545-06-2,ClC(Cl)(Cl)C#N,mutagenic -481-39-0,Oc1cccc2C(=O)C=CC(=O)c12,mutagenic -6623-66-1,[O-][N+](=O)c1ccc2OC(=O)c3ccccc3c2c1,mutagenic -150445-98-0,[O-][N+](=O)c1ccc2c(c1)nc(\C=N\OCc3ccccc3[N+](=O)[O-])n2Cc4ccc(Cl)cc4Cl,mutagenic -21490-63-1,C[C@@H]1O[C@@H]1C,mutagenic -148-82-3,N[C@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,mutagenic -NOCAS_M190,C[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic -51-21-8,Oc1ncc(F)c(O)n1,non-mutagenic -3343-64-4,CCCCSCCC(N)C(=O)O,non-mutagenic -82-28-0,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,mutagenic -483-84-1,Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],mutagenic -59804-37-4,CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3,non-mutagenic -3520-42-1,CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O,mutagenic -142438-72-0,CCC1(OC1(C(=O)N)C(=O)OC)C(C)O,non-mutagenic -80-08-0,Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,non-mutagenic -6633-40-5,Oc1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic -6428-31-5,Nc1ccc(N=Nc2ccc(cc2)N=Nc3c(N)c4c(O)c(N=Nc5ccc(cc5)N=Nc6ccc(N)cc6N)c(cc4cc3S(=O)(=O)O)S(=O)(=O)O)c(N)c1,mutagenic -86674-50-2,OC1C(O)c2ccc(c3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic -98033-26-2,Cc1nc2c(ccc3ccc4ccc(O)cc4c23)[nH]1,mutagenic -833-50-1,o1c(nc2ccccc12)c3ccccc3,non-mutagenic -139259-64-6,CC(C)ON(OC(=O)C)C(=O)c1ccccc1,mutagenic -127502-69-6,CC(C)c1cc(ccc1N)c2ccccc2,mutagenic -94500-54-6,ClCc1cc2cccc3ccc4cc5ccccc5c1c4c23,mutagenic -113698-22-9,COC1=CC(=O)c2c(nc(C)c3c4ccccc4[nH]c23)C1=O,mutagenic -86439-49-8,Nc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],mutagenic -75-08-1,CCS,non-mutagenic -353-59-3,FC(F)(Cl)Br,non-mutagenic -622-79-7,N#N=NCc1ccccc1,mutagenic -1484-12-4,Cn1c2ccccc2c3ccccc13,mutagenic -13284-42-9,CC\C=C/C#N,non-mutagenic -134998-76-8,O=Nc1ccc2ccc3c4CCCCc4cc5ccc1c2c35,mutagenic -83-79-4,COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C,non-mutagenic -135295-00-0,OCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic -1119-40-0,COC(=O)CCCC(=O)OC,non-mutagenic -618-39-3,NC(=N)c1ccccc1,non-mutagenic -3546-41-6,CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,mutagenic -128-08-5,BrN1C(=O)CCC1=O,mutagenic -184582-67-0,CN1c2ccc3OCCOCCOCCOCCOCCOCCOc4ccc1c(c4)C(=S)c2c3,non-mutagenic -7433-46-7,CNC(=O)NO,non-mutagenic -3113-72-2,Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],mutagenic -NOCAS_M114,[O-][N+](=O)c1ccc(O[C@H]2CO2)cc1,mutagenic -107-35-7,NCCS(=O)(=O)O,non-mutagenic -88-21-1,Nc1ccccc1S(=O)(=O)O,mutagenic -19866-62-7,[O-][n+]1cc2ncccc2cn1,non-mutagenic -15299-08-8,Cc1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic -2498-75-1,Cc1ccc2c(ccc3cc4ccccc4cc23)c1,mutagenic -57-14-7,CN(C)N,mutagenic -192-87-0,C1c2ccccc2c3c1ccc4ccc5ccccc5c34,non-mutagenic -119-65-3,c1ccc2cnccc2c1,non-mutagenic -22994-85-0,[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2,mutagenic -141-38-8,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,non-mutagenic -121-47-1,Nc1cccc(c1)S(=O)(=O)O,non-mutagenic -75476-80-1,[O-][N+](=O)c1ccc2C=CCc2c1,mutagenic -18523-47-2,OC(=O)CCN=N#N,mutagenic -10169-02-5,Oc1ccc2ccccc2c1N=Nc3ccc(c4ccc(cc4S(=O)(=O)O)N=Nc5c(O)ccc6ccccc56)c(c3)S(=O)(=O)O,non-mutagenic -70951-83-6,OC1C(O)c2c(ccc3c2ccc4ccccc34)C5OC15,mutagenic -81542-82-7,CC(C)(C)NCC(O)COc1ccc(O)cc1C2CCCC2,non-mutagenic -25103-58-6,CCCCC(S)(CCC)CCCC,non-mutagenic -98-08-8,FC(F)(F)c1ccccc1,non-mutagenic -7779-16-0,Nc1ccccc1C(=O)OC2CCCCC2,non-mutagenic -95389-75-6,Cn1c(N=N#N)nc2ccc3ccccc3c12,mutagenic -14691-88-4,CC1(C)CC(N)CC(C)(C)N1O,mutagenic -6066-82-6,ON1C(=O)CCC1=O,non-mutagenic -141-97-9,CCOC(=O)CC(=O)C,non-mutagenic -124617-86-3,CC(=O)ON(OCc1ccccc1)C(=O)c2ccccc2,mutagenic -61691-83-6,COc1ccc([C@H](OC(=O)C)C=C)c2ccccc12,mutagenic -183249-37-8,C1C=Cc2c1ccc3ccc4ccccc4c23,mutagenic -97851-13-3,Oc1ccc(cc1[N+](=O)[O-])c2cccc(c2O)[N+](=O)[O-],non-mutagenic -92-67-1,Nc1ccc(cc1)c2ccccc2,mutagenic -159714-85-9,CCc1c2C3OC3c4ccccc4c2cc5ccccc15,mutagenic -124817-06-7,OC(CN=N#N)c1ccccc1,mutagenic -75-26-3,CC(C)Br,mutagenic -1594-56-5,[O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],mutagenic -443-48-1,Cc1ncc([N+](=O)[O-])n1CCO,mutagenic -57564-91-7,NC(CCC(=O)N(CC(=O)O)C(=O)C(N)CSN=O)C(=O)O,mutagenic -603-54-3,NC(=O)N(c1ccccc1)c2ccccc2,non-mutagenic -607-30-7,ONc1cccc2ccccc12,mutagenic -105467-73-0,OC1C2OC2c3c(ccc4nc5ccc6ccccc6c5cc34)C1O,mutagenic -NOCAS_M199,C=CC(=O)OC[C@H]1CO1,mutagenic -114882-46-1,O=Nc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic -41122-70-7,CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,non-mutagenic -80830-42-8,OC(=O)C1CSC(N1C(=O)CCS)c2ccccc2O,non-mutagenic -147-47-7,CC1=CC(C)(C)Nc2ccccc12,non-mutagenic -544-63-8,CCCCCCCCCCCCCC(=O)O,non-mutagenic -NOCAS_M465,C[C@@H]1OCCc2cc3c(cc12)C(C)(C)[C@@H](C)C3(C)C,non-mutagenic -63412-06-6,CN(N=O)C(=O)c1ccccc1,mutagenic -67508-85-4,CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC,mutagenic -103978-08-1,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(c(F)c12)c3ccc(O)cc3,mutagenic -123016-76-2,NC(=O)N(c1ccccc1)c2ccc(cc2)C(=O)O,mutagenic -23355-64-8,OCCN(CCO)c1ccc(N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])c(Cl)c1,mutagenic -88741-68-8,COc1ccc2C(=O)c3c(OC)c(OC)cc4ccnc(c2c1)c34,mutagenic -3351-28-8,Cc1cccc2c1ccc3c4ccccc4ccc23,mutagenic -115609-71-7,Cc1cnc2c(n1)c(C)cc3c2nc(N)n3C,mutagenic -578-67-6,Oc1cccc2ncccc12,mutagenic -24027-84-7,Oc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -131862-22-1,CN(C)CCNC(=O)c1cccc2cc(oc12)c3ccccc3,mutagenic -102791-33-3,[O-][N+](=O)c1ccc2OC(=O)c3cccc4ccc1c2c34,mutagenic -113393-59-2,CC(=C)c1ccc(C)c2ccc(CO)c2c1,mutagenic -NOCAS_M550,CC(C)[C@@H]1CC[C@@H](C)CC1,non-mutagenic -84-11-7,O=C1C(=O)c2ccccc2c3ccccc13,non-mutagenic -180913-77-3,CC(=O)Nc1ccc2C(=O)C(=O)c3cccc4ccc1c2c34,mutagenic -345667-01-8,CC(C)(C)c1cc(ccc1NO)c2ccccc2,mutagenic -873-69-8,O\N=C\c1ccccn1,non-mutagenic -312304-89-5,CC(=O)OCN(CCCCCl)N=O,mutagenic -55446-27-0,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](O)C[C@@H]5O)c14,mutagenic -63-25-2,CNC(=O)Oc1cccc2ccccc12,mutagenic -155379-82-1,Cc1cc(N)cc(c1N)[N+](=O)[O-],mutagenic -100757-60-6,ClCc1ccc2ccc3cc4ccccc4c5ccc1c2c35,non-mutagenic -51325-35-0,CC(=O)Nc1nc(NC(=O)C)nc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic -79-27-6,BrC(Br)C(Br)Br,non-mutagenic -4176-53-8,Nc1cccc2c1ccc3ccccc23,mutagenic -139495-76-4,CN1CCN(CC1)c2cc3N(C4CC4)C5=CC(=O)NC(=O)N5c3cc2F,mutagenic -108-88-3,Cc1ccccc1,non-mutagenic -56525-92-9,COc1nncc2ncccc12,non-mutagenic -2757-90-6,N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)O,mutagenic -132742-02-0,[O-][N+](=O)c1c2C=CCCc2c3ccc4cccc5ccc1c3c45,mutagenic -6983-79-5,COC(=O)\C=C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC)/C)\C,mutagenic -111380-08-6,Cn1cnc(c2ccccc2)c1N=O,mutagenic -218-08-6,c1ccc2c(c1)ccc3c4cccnc4ccc23,mutagenic -74006-72-7,O=C1CC2SCC=CN12,non-mutagenic -3268-49-3,CSCCC=O,non-mutagenic -92339-11-2,CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I,non-mutagenic -153654-33-2,Oc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],mutagenic -97461-43-3,COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\C,mutagenic -82-39-3,COc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic -129-73-7,CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,non-mutagenic -143-16-8,CCCCCCNCCCCCC,non-mutagenic -1195-79-5,C[C@]12CC[C@H](C1)C(C)(C)C2=O,non-mutagenic -683-51-2,ClC(=C)C=O,mutagenic -602-60-8,[O-][N+](=O)c1c2ccccc2cc3ccccc13,mutagenic -25168-15-4,CC(C)CCCCCOC(=O)Cc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -24519-27-5,N#CC1=C(SCCS1)C#N,non-mutagenic -5221-17-0,BrCC(Br)C=O,mutagenic -121-88-0,Nc1ccc(cc1O)[N+](=O)[O-],mutagenic -620-02-0,Cc1oc(C=O)cc1,non-mutagenic -67809-14-7,CN(C=O)N=O,mutagenic -149-32-6,OCC(O)C(O)CO,non-mutagenic -136-35-6,N(N=Nc1ccccc1)c2ccccc2,mutagenic -16110-09-1,Clc1ccc(Cl)nc1,non-mutagenic -2154-67-8,CC1(C)C=C(C(=O)O)C(C)(C)N1O,non-mutagenic -16596-38-6,CC(C)CN(N)CC(C)C,mutagenic -122349-91-1,Cc1cc(C)c2cc(C)c(N)cc2n1,mutagenic -579527-03-0,Clc1cc(Cl)cc(c1)N2C(=O)N3C[C@H](C[C@@]3(Cc4ccc(cc4)C#N)C2=O)N=[N+]=[N-],mutagenic -89-58-7,Cc1ccc(C)c(c1)[N+](=O)[O-],mutagenic -363-03-1,O=C1C=CC(=O)C(=C1)c2ccccc2,non-mutagenic -139259-93-1,CC(=O)ON(OCc1ccc(cc1)C(C)(C)C)C(=O)c2ccccc2,mutagenic -58139-53-0,CC(=O)Nc1nc(cs1)c2cc(cs2)[N+](=O)[O-],mutagenic -1582-09-8,CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],mutagenic -88-14-2,OC(=O)c1occc1,non-mutagenic -2278-22-0,CC(=O)OO[N+](=O)[O-],mutagenic -2646-17-5,Cc1ccccc1N=Nc2c(O)ccc3ccccc23,mutagenic -982-57-0,O[C@H]([C@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-],non-mutagenic -108-64-5,CCOC(=O)CC(C)C,non-mutagenic -64099-28-1,COc1nsc2ccc(N)cc12,mutagenic -70-25-7,CN(N=O)C(=N)N[N+](=O)[O-],mutagenic -NOCAS_M495,[O-][N+](=O)c1ccc(cc1)[C@@H]2O[C@H]2C(=O)c3ccccc3,non-mutagenic -63038-82-4,O[C@H]1[C@H](O)c2cc3ccc4ccccc4c3cc2[C@@H]5O[C@H]15,mutagenic -160543-18-0,Cc1c2C3OC3c4ccccc4c2nc5ccc(CO)cc15,non-mutagenic -113600-17-2,Fc1cccc2cc3c(cc12)c4cccc5cccc3c45,mutagenic -116208-67-4,Fc1ccc2c3cc4ccccc4cc3c5cccc1c25,mutagenic -NOCAS_M200,BrC[C@@H](Br)COC(=O)C=C,mutagenic -1591-56-6,CN(C)c1ccc(cc1)N=Nc2ccc(NC(=O)C)cc2,mutagenic -95-57-8,Oc1ccccc1Cl,non-mutagenic -947-73-9,Nc1cc2ccccc2c3ccccc13,mutagenic -159092-77-0,[O-][N+](=O)c1cccc2c1c(cc3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic -1116-54-7,OCCN(CCO)N=O,mutagenic -146795-44-0,[O-][N+](=O)c1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic -2439-35-2,CN(C)CCOC(=O)C=C,non-mutagenic -334-22-5,ClCCNCCCl,mutagenic -112368-26-0,OC(=O)CCC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic -70403-80-4,COc1ccc2cc3N(C)CCc4cc(OC)c(OC)c(c2c1)c34,non-mutagenic -163275-68-1,Fc1ccc(F)c2c1ccc3ncccc23,mutagenic -1728-95-6,COc1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic -158729-24-9,Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,non-mutagenic -646-06-0,C1COCO1,non-mutagenic -8004-87-3,CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,mutagenic -134170-56-2,COC(=O)c1oc(N(OC(=O)C)C(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic -96-11-7,BrCC(Br)CBr,mutagenic -3096-52-4,[O-][N+](=O)c1ccc2c3ccccc3C(=O)c2c1,mutagenic -463-40-1,CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)O,non-mutagenic -531-82-8,CC(=O)Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic -32433-28-6,CC(=O)Nc1ccnc2ccccc12,non-mutagenic -13687-09-7,CNP(=S)(N1CC1)N2CC2,mutagenic -105708-74-5,BrCc1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,mutagenic -305-03-3,OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,mutagenic -28124-29-0,Nc1ccc2nc3c(N)cccc3nc2c1,mutagenic -147318-81-8,CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc3ccccc3)C(O)C(=O)N4CSCC4C(=O)NC(C)(C)C,non-mutagenic -51938-13-7,CCCCN(CCCO)N=O,mutagenic -96-91-3,Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],mutagenic -557-91-5,CC(Br)Br,non-mutagenic -4823-47-6,BrCCOC(=O)C=C,mutagenic -133831-62-6,[O-][N+](=O)c1ccccc1SS\C(=C(/Cl)\C(F)(F)F)\Cl,mutagenic -110-63-4,OCCCCO,non-mutagenic -146177-58-4,Cc1cc2c(nc(N)n2C)c3nc(C)c(C)nc13,mutagenic -2524-03-0,COP(=S)(Cl)OC,non-mutagenic -103369-09-1,CC(=O)OCNC(=O)c1ccc(Cl)cc1,non-mutagenic -106636-48-0,[O-][N+](=O)c1ccc(cc1)c2nc3SCCn3c2[N+](=O)[O-],mutagenic -148-53-8,COc1cccc(C=O)c1O,non-mutagenic -6639-36-7,[O-][N+](=O)c1ccc2sc3ccccc3c2c1,mutagenic -41340-36-7,CCc1cccc2c(CCO)c[nH]c12,non-mutagenic -33973-15-8,CC12OOC1(C)c3ccccc3O2,mutagenic -134-20-3,COC(=O)c1ccccc1N,non-mutagenic -81340-58-1,[O-][N+](=O)c1ccc2c3ccccc3c4cccc5ccc1c2c45,mutagenic -555-16-8,[O-][N+](=O)c1ccc(C=O)cc1,mutagenic -80-30-8,Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,non-mutagenic -75-11-6,ICI,non-mutagenic -139495-80-0,CN1CCN(CC1)c2cc3N(C4CC4)C5=CC(=O)N(O)C(=O)N5c3cc2F,mutagenic -108283-49-4,CC(C)(C)OC(=O)NC(CN=N#N)C(=O)O,mutagenic -NOCAS_M383,ClC(Cl)[C@H](c1ccc(Cl)cc1)c2ccccc2Cl,non-mutagenic -132059-53-1,OC1OC(=O)C(=C1C(Br)Br)Br,mutagenic -5623-11-0,CC(=O)Nc1cccc(N)c1C(=O)O,mutagenic -23696-28-8,Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],mutagenic -84-24-2,CCCCCC(=O)Cc1cc(O)cc2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12,non-mutagenic -4170-30-3,C\C=C/C=O,mutagenic -99520-57-7,OC1C(O)c2ccc3cccc4cc5c6ccccc6C1=c5c2c34,non-mutagenic -331-39-5,OC(=O)\C=C\c1ccc(O)c(O)c1,non-mutagenic -191861-15-1,Fc1cnc2cccc(F)c2c1,non-mutagenic -142382-12-5,OC(=O)c1ccc(CCC(=O)CCC#N)cc1,mutagenic -109-69-3,CCCCCl,non-mutagenic -109-84-2,NNCCO,mutagenic -2478-38-8,COc1cc(cc(OC)c1O)C(=O)C,non-mutagenic -159394-72-6,[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)C#N)cc1,mutagenic -NOCAS_M131,ClC(Cl)(Cl)C[C@H]1CO1,mutagenic -108-05-4,CC(=O)OC=C,non-mutagenic -585-86-4,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,non-mutagenic -16310-69-3,C1CCc2c(C1)ccc3cc4CCc5ccccc5c4cc23,mutagenic -570-24-1,Cc1cccc(c1N)[N+](=O)[O-],mutagenic -51775-36-1,ClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C(Cl)C2Cl,non-mutagenic -107-51-7,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,non-mutagenic -56316-37-1,CCCN(CCCC(=O)O)N=O,mutagenic -98600-98-7,Cc1cc2C(O)C(O)C=Cc2c3cc4ccccc4cc13,mutagenic -71-36-3,CCCCO,non-mutagenic -17376-04-4,ICCc1ccccc1,non-mutagenic -57117-24-5,CS\C(=N/OC(=O)N(C)N=O)\C,mutagenic -106532-75-6,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccc(Cl)c(Cl)c3)\c2c1)C(=O)c4ccc(Cl)c(Cl)c4,mutagenic -29082-74-4,ClC(=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Cl,non-mutagenic -68279-00-5,CCCCCCCCSCN1CN(C)C=C1,non-mutagenic -55400-88-9,O1C2C1c3cccc4C5OC5c6cccc2c6c34,mutagenic -77-79-2,O=S1(=O)CC=CC1,non-mutagenic -111-66-0,CCCCCCC=C,non-mutagenic -1436-34-6,CCCCC1CO1,non-mutagenic -52-24-4,S=P(N1CC1)(N2CC2)N3CC3,mutagenic -344-07-0,Fc1c(F)c(F)c(Cl)c(F)c1F,non-mutagenic -10159-46-3,CNP(=O)(N(C)C)N(C)C,mutagenic -36355-01-8,Brc1cc(Br)c(c(Br)c1)c2c(Br)cc(Br)cc2Br,non-mutagenic -64724-48-7,CC(=O)Nc1ccc2c(Cc3ccccc23)c1OC(=O)C,non-mutagenic -144280-50-2,[O-][N+](=O)c1ccc2oc3ccc(cc3c2c1)[N+](=O)[O-],mutagenic -107-14-2,ClCC#N,non-mutagenic -135-23-9,CN(C)CCN(Cc1cccs1)c2ccccn2,non-mutagenic -117-80-6,ClC1=C(Cl)C(=O)c2ccccc2C1=O,mutagenic -954-46-1,[O-][N+](=O)c1cc2ccccc2c3ccccc13,mutagenic -476-60-8,Oc1ccc(O)c2c(O)c3ccccc3c(O)c12,mutagenic -66-81-9,C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@@H](O)CC2CC(=O)NC(=O)C2,non-mutagenic -121-92-6,OC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic -121-50-6,Nc1cc(ccc1Cl)C(F)(F)F,non-mutagenic -130536-45-7,C1Cc2ncccc2C3OC13,non-mutagenic -105-76-0,CCCCOC(=O)\C=C/C(=O)OCCCC,non-mutagenic -38252-74-3,CCCCN(CCCC(=O)O)N=O,mutagenic -115084-48-5,Nc1ccc(Cc2cc(O)c(N)c(Cl)c2)cc1Cl,non-mutagenic -185-75-1,C1COCC2(C1)CO2,mutagenic -62641-70-7,Cc1c2ccccc2cc3c4C=C[C@@H](O)[C@H](O)c4ccc13,mutagenic -70883-13-5,CCSc1cc(Cc2ccc(N)c(SCC)c2)ccc1N,mutagenic -594-70-7,CC(C)(C)[N+](=O)[O-],non-mutagenic -821-95-4,CCCCCCCCCC=C,non-mutagenic -NOCAS_M408,CCC[C@@H](C)C[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O,non-mutagenic -606-37-1,[O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],mutagenic -29761-21-5,CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,non-mutagenic -1522-92-5,OCC(CBr)(CBr)CBr,mutagenic -519-23-3,Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13,mutagenic -162022-85-7,[O-][n+]1cc2ccncc2cn1,non-mutagenic -1516-21-8,COc1ccc(cc1)N=O,mutagenic -333-41-5,CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,non-mutagenic -111-69-3,N#CCCCCC#N,non-mutagenic -1825-21-4,COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,mutagenic -115084-47-4,Nc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl,mutagenic -119-27-7,COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -105052-39-9,COc1ccc2C=C(Oc3cccc1c23)[N+](=O)[O-],mutagenic -56-57-5,[O-][N+](=O)c1cc[n+]([O-])c2ccccc12,mutagenic -39515-41-8,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,non-mutagenic -NOCAS_M155,CC(C)OC[C@H]1CO1,mutagenic -95-49-8,Cc1ccccc1Cl,non-mutagenic -NOCAS_M510,O[C@@H]1OCC=C2OC(=O)C=C12,non-mutagenic -104-49-4,O=C=Nc1ccc(cc1)N=C=O,non-mutagenic -732-11-6,COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,mutagenic -112-73-2,CCCCOCCOCCOCCCC,non-mutagenic -100-69-6,C=Cc1ccccn1,non-mutagenic -2867-47-2,CN(C)CCOC(=O)C(=C)C,mutagenic -106532-65-4,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)CCCCl)\c2c1)C(=O)CCCCl,mutagenic -128753-87-7,COc1cccc2OC3(C)OOC3(C)c12,mutagenic -156243-39-9,Cc1cnc2cc3nc(N)n(C)c3c(C)c2n1,mutagenic -98090-89-2,Cc1ccc2Cc3cccc4ccc1c2c34,mutagenic -146177-60-8,Cc1cnc2c(C)c(C)c3c(nc(N)n3C)c2n1,mutagenic -63041-76-9,Cc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic -131862-15-2,CN(C)CCNC(=O)c1cccc2c3ccccc3cnc12,mutagenic -135577-57-0,Cn1c(N=N#N)nc2ncc(cc12)c3ccccc3,mutagenic -146795-36-0,[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(F)c2,mutagenic -7166-19-0,[O-][N+](=O)\C(=C\c1ccccc1)\Br,mutagenic -75-29-6,CC(C)Cl,mutagenic -64-17-5,CCO,non-mutagenic -6628-97-3,O=C1C=C(Nc2ccccc2)C(=O)c3ccccc13,mutagenic -NOCAS_M420,C[C@@H](CC(=O)O)C(=O)O,non-mutagenic -NOCAS_M278,OC[C@@H]1SCCN1N=O,mutagenic -5422-34-4,CC(O)C(=O)NCCO,mutagenic -1705-85-7,Cc1cc2c3ccccc3ccc2c4ccccc14,mutagenic -66789-82-0,OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(Cl)c(Cl)cc3Cl,non-mutagenic -99346-47-1,OC1C=Cc2c(cc3ccc4c(O)ccc5ccc2c3c45)C1O,mutagenic -146177-59-5,Cc1c(C)c2c(nc(N)n2C)c3nccnc13,mutagenic -111-21-7,CC(=O)OCCOCCOCCOC(=O)C,mutagenic -78-63-7,CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,non-mutagenic -98-29-3,CC(C)(C)c1ccc(O)c(O)c1,non-mutagenic -91-58-7,Clc1ccc2ccccc2c1,non-mutagenic -123-66-0,CCCCCC(=O)OCC,non-mutagenic -78-83-1,CC(C)CO,non-mutagenic -23815-63-6,NC(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,mutagenic -7151-65-7,CC(=O)N(Cl)c1ccc2c(Cc3ccccc23)c1,mutagenic -90147-19-6,CCCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -119260-67-2,Nc1ccc(Cc2ccc(N=O)c(Cl)c2)cc1Cl,non-mutagenic -192-65-4,c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56,mutagenic -333-27-7,COS(=O)(=O)C(F)(F)F,mutagenic -54-85-3,NNC(=O)c1ccncc1,mutagenic -83053-57-0,CCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic -55256-58-1,COc1c(Cl)ccc2Oc3cc4OC5OC=CC5c4c(OC)c3C(=O)c12,mutagenic -218-21-3,c1cnc2c(c1)ccc3c4cccnc4ccc23,mutagenic -2519-30-4,CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)O)c5ccc(cc35)S(=O)(=O)O)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -NOCAS_M575,C[C@@H](S)C(=O)NCC(=O)O,non-mutagenic -161221-84-7,COc1cc(C)cc2c(OC(=O)C)c(cc(OC(=O)C)c12)c3c(C)cc4c(OC(=O)C)ccc(OC(=O)C)c4c3OC,non-mutagenic -3740-52-1,OC(=O)Cc1ccccc1[N+](=O)[O-],mutagenic -126-27-2,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,non-mutagenic -NOCAS_M11,CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,mutagenic -66-27-3,COS(=O)(=O)C,mutagenic -2429-82-5,Nc1ccc2cc(c(N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5ccc(O)c(c5)C(=O)O)c(O)c2c1)S(=O)(=O)O,mutagenic -20268-51-3,[O-][N+](=O)c1c2ccccc2cc3c1ccc4ccccc34,non-mutagenic -16090-02-1,OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)O,non-mutagenic -2837-89-0,FC(Cl)C(F)(F)F,non-mutagenic -139-96-8,CCCCCCCCCCCCOS(=O)(=O)O,non-mutagenic -89-82-7,C[C@@H]1CCC(=C(C)C)C(=O)C1,non-mutagenic -128753-86-6,CC(=O)c1cccc2c1OC3(C)OOC23C,mutagenic -78533-30-9,BrCc1c2ccccc2cc3ccc4ccccc4c13,mutagenic -107-20-0,ClCC=O,mutagenic -2589-58-4,CCC(C)Nc1snc2ccccc12,non-mutagenic -153954-29-1,Cc1cnc2cc(CO)c3c(nc(N)n3C)c2n1,mutagenic -622-51-5,Cc1ccc(NC(=O)N)cc1,non-mutagenic -60197-68-4,CC(=O)OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,mutagenic -68267-99-2,CN(C(=O)CCCl)c1snc2ccccc12,mutagenic -2275-23-2,CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC,mutagenic -32451-61-9,NC(=O)Nc1cccc2cccnc12,non-mutagenic -189-55-9,c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46,mutagenic -130933-91-4,OC1C2OC2c3c(ccc4c5C=Cc6cccc(cc34)c56)C1O,mutagenic -96-47-9,CC1CCCO1,non-mutagenic -99523-59-8,Cc1ccc2nsc(NC(=O)C(Cl)(Cl)Cl)c2c1,mutagenic -57-13-6,NC(=O)N,non-mutagenic -100-02-7,Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic -NOCAS_M183,C[C@H]1CC(=O)O1,mutagenic -59-51-8,CSCCC(N)C(=O)O,non-mutagenic -102791-32-2,[O-][N+](=O)c1ccc2ccc3cccc4C(=O)C(=O)c1c2c34,mutagenic -115044-41-2,Cc1cnc2ccc3c(nc(NO)n3C)c2n1,mutagenic -112309-62-3,OC(=O)C=C(C(Cl)Cl)C(Cl)Cl,mutagenic -24096-53-5,Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O,non-mutagenic -6931-54-0,CC1(C)C2CCC3(CO3)C1C2,non-mutagenic -6548-29-4,Nc1c(N=Nc2ccc(cc2Cl)c3ccc(N=Nc4c(N)c(cc5cc(ccc45)S(=O)(=O)O)S(=O)(=O)O)c(Cl)c3)c6ccc(cc6cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -194479-79-3,Nc1c2ccccc2nc3ccc(I)cc13,mutagenic -60391-92-6,NC(=O)N(CC(=O)O)N=O,non-mutagenic -57074-51-8,C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H](O)O[C@H](O)C[C@H]13,mutagenic -646-14-0,CCCCCC[N+](=O)[O-],non-mutagenic -615-53-2,CCOC(=O)N(C)N=O,mutagenic -220168-39-8,O=C(ON(OCc1ccccc1)C(=O)c2ccccc2)c3ccccc3,mutagenic -55936-76-0,COC(=O)c1ccc(cc1)N=Nc2ccc(cc2)N(C)OC(=O)C,mutagenic -128753-96-8,CC(=O)OCC12OOC1(C)c3ccccc3O2,mutagenic -88321-09-9,CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C,non-mutagenic -1671-82-5,Cn1ccnc1[N+](=O)[O-],mutagenic -364-74-9,[O-][N+](=O)c1cc(F)ccc1F,mutagenic -149127-58-2,CCCN=NC(C)(C)OO,mutagenic -396-32-7,Fc1ccc2cccnc2c1,mutagenic -593-60-2,BrC=C,mutagenic -53198-46-2,CN(N=O)[C@H](OC(=O)C)c1ccccc1,mutagenic -623-30-3,O=C\C=C/c1occc1,non-mutagenic -NOCAS_M249,N[C@@H](CCC(=O)NNc1ccccc1)C(=O)O,mutagenic -97-56-3,Cc1ccccc1N=Nc2ccc(N)c(C)c2,mutagenic -NOCAS_M497,CCOC(=O)[C@H](SP(=S)(OC)OC)c1ccccc1,non-mutagenic -5776-39-6,C[n+]1c2ccccc2cc3ccccc13,mutagenic -25376-45-8,Cc1cc(N)cc(N)c1,non-mutagenic -3333-52-6,CC(C)(C#N)C(C)(C)C#N,non-mutagenic -89-87-2,Cc1ccc(c(C)c1)[N+](=O)[O-],mutagenic -547-58-0,CN(C)c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,non-mutagenic -499-75-2,CC(C)c1ccc(C)c(O)c1,non-mutagenic -129-43-1,Oc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic -1465-25-4,NCCNc1cccc2ccccc12,mutagenic -NOCAS_M537,C[C@H](CS)[C@@H]1CC[C@@H](C)[C@H](S)C1,non-mutagenic -4584-49-0,C[C@H](Cl)CN(C)C,mutagenic -555-03-3,COc1cccc(c1)[N+](=O)[O-],non-mutagenic -29706-59-0,OCc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O,mutagenic -22071-15-4,CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,non-mutagenic -NOCAS_M438,CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC,non-mutagenic -NOCAS_M100,Cc1ccc(cc1C)[C@@](OC(=O)NC2CCCCC2)(C#C)c3ccccc3,mutagenic -4196-86-5,COCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,non-mutagenic -6967-29-9,CCc1cccc(CC)c1NC(=O)CCl,mutagenic -4359-61-9,CC(=O)N(N)C(=O)C,non-mutagenic -67730-10-3,Nc1ccc2nc3ccccn3c2n1,mutagenic -15791-78-3,OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,mutagenic -6270-13-9,OCCN(CCO)c1ccc2ccccc2c1,mutagenic -119-61-9,O=C(c1ccccc1)c2ccccc2,non-mutagenic -53-03-2,CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,mutagenic -105801-28-3,ON(C=O)c1ccc(Oc2ccc(Cl)cc2)cc1,mutagenic -79-21-0,CC(=O)OO,non-mutagenic -111-96-6,COCCOCCOC,non-mutagenic -26148-68-5,Nc1ccc2c3ccccc3[nH]c2n1,mutagenic -1077-28-7,OC(=O)CCCC[C@@H]1CCSS1,non-mutagenic -31969-03-6,Cc1cccc(N=Nc2c(O)ccc3ccccc23)c1C,non-mutagenic -35250-53-4,SCCc1cnccn1,non-mutagenic -720-69-4,Nc1nc(N)nc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic -4316-73-8,CNCC(=O)O,non-mutagenic -14448-67-0,CN1\C(=N\N)\Sc2ccccc12,mutagenic -63019-38-5,Oc1cccc2c1ccc3c4ccccc4ccc23,mutagenic -859-97-2,CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(=O)CC4CC3=O,non-mutagenic -5581-32-8,CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2,non-mutagenic -1794-45-2,Clc1ccccc1\C=C\C=O,mutagenic -1253-84-5,CC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,mutagenic -3385-21-5,NC1CCCC(N)C1,non-mutagenic -113779-16-1,C1=Cc2cc3cccc4c5ccccc5c6ccc1c2c6c34,mutagenic -75464-11-8,CCCC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic -NOCAS_M520,CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,non-mutagenic -2835-39-4,CC(C)CC(=O)OCC=C,non-mutagenic -43210-67-9,COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,non-mutagenic -100-11-8,[O-][N+](=O)c1ccc(CBr)cc1,mutagenic -109380-46-3,CCOC(=O)C(C#N)c1snc2ccc(cc12)[N+](=O)[O-],mutagenic -1608-51-1,Fc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic -830-96-6,OC(=O)CCc1c[nH]c2ccccc12,non-mutagenic -6281-32-9,OCc1ccnc2ccccc12,non-mutagenic -3475-63-6,CN(C)C(=O)N(C)C=O,mutagenic -7269-60-5,Cn1cnc2c(NO)ncnc12,mutagenic -85-44-9,O=C1OC(=O)c2ccccc12,non-mutagenic -74518-94-8,[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)C#N)cc1,mutagenic -133550-91-1,OCc1ccc2cccc3c4ccccc4c1c23,non-mutagenic -87638-04-8,NC(=O)OCC1C(NC(=O)\C(=N/OCC(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O,non-mutagenic -133591-35-2,Cc1cc(c(C)c2c3cc(ccc3[nH]c12)[N+](=O)[O-])[N+](=O)[O-],mutagenic -53330-03-3,NC(CSC(=O)NCCCl)C(=O)O,mutagenic -3586-69-4,[O-][N+](=O)c1ccc2cc3ccccc3cc2c1,mutagenic -112-56-1,CCCCOCCOCCSC#N,non-mutagenic -194-59-2,c1ccc2c(c1)ccc3[nH]c4ccc5ccccc5c4c23,mutagenic -109-73-9,CCCCN,non-mutagenic -33611-88-0,[O-][N+](=O)c1cc2cccc3c4ccccc4c(c1[N+](=O)[O-])c23,mutagenic -16495-13-9,C(OCc1ccccc1)C2CO2,mutagenic -30235-27-9,Nc1nc(cs1)c2cccnc2,non-mutagenic -102-16-9,O=C(Cc1ccccc1)OCc2ccccc2,non-mutagenic -64521-09-1,CN(N=O)C(=O)Oc1ccc(C)c(C)c1C,mutagenic -93793-83-0,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,non-mutagenic -10353-99-8,[O-][N+](=O)c1ccc2C=Cc3cccc1c23,mutagenic -6959-48-4,ClCc1cccnc1,mutagenic -155-09-9,N[C@@H]1C[C@H]1c2ccccc2,non-mutagenic -316-49-4,Cc1cccc2c1ccc3cc4ccccc4cc23,mutagenic -100-44-7,ClCc1ccccc1,mutagenic -126370-97-6,FC(F)(F)c1cccc(CN2C3C2c4ccccc4c5ccccc35)c1,mutagenic -84736-60-7,ON(C=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -77287-29-7,COC(=O)C(C)Cl,mutagenic -1668-19-5,CN(C)CC\C=C\1/c2ccccc2COc3ccccc13,non-mutagenic -NOCAS_M346,C[C@H](CCc1ccccc1)NC[C@@H](O)c2ccc(O)c(c2)C(=O)N,non-mutagenic -54897-63-1,CCN(CCCC(=O)O)N=O,mutagenic -21388-97-6,CC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic -100-27-6,OCCc1ccc(cc1)[N+](=O)[O-],mutagenic -107-11-9,NCC=C,non-mutagenic -42028-27-3,CCc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic -517-66-8,COc1cc2CC3N(C)CCc4cc5OCOc5c(c34)c2cc1OC,mutagenic -97467-07-7,C[N+]1=CC=C(CC1)c2ccccc2,mutagenic -134-31-6,Oc1cccc2cccnc12,mutagenic -7417-67-6,CN(N=O)C(=O)C,mutagenic -196-77-0,C1=Cc2c3ccc4cccc5ccc(c6cccc1c26)c3c45,mutagenic -34244-14-9,Clc1ccc2ccc3cccc4ccc1c2c34,mutagenic -40321-98-0,CCC(CCC(=O)C)COC(=O)c1ccccc1C(=O)O,non-mutagenic -134-62-3,CCN(CC)C(=O)c1cccc(C)c1,non-mutagenic -2379-74-0,Cc1cc(Cl)cc2S\C(=C\3/Sc4cc(Cl)cc(C)c4C3=O)\C(=O)c12,non-mutagenic -122033-85-6,Cc1ccc(C)c2c3C4OC4C(O)C(O)c3ccc12,mutagenic -2381-16-0,Cc1ccc2cc3c(ccc4ccccc34)cc2c1,mutagenic -99-54-7,[O-][N+](=O)c1ccc(Cl)c(Cl)c1,mutagenic -68941-03-7,Nc1ccc(cc1)N(c2ccc3ccccc3c2)c4ccc5ccccc5c4,non-mutagenic -118499-61-9,OC1C(O)c2cc3ccc4cccc5ccc(c2C(O)C1S(=O)(=O)O)c3c45,non-mutagenic -109143-16-0,[O-][N+](=O)c1oc2ccc(cc2c1)N(CCCl)CCCl,mutagenic -124617-84-1,CCCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic -224-53-3,c1ccc2c(c1)ccc3cc4ccc5ccccc5c4nc23,mutagenic -4691-65-0,OC1C(O)C(OC1COP(=O)(O)O)n2cnc3c(O)ncnc23,non-mutagenic -107-44-8,CC(C)OP(=O)(C)F,non-mutagenic -1794-84-9,[O-][N+](=O)CCl,mutagenic -156215-58-6,Cn1c(N)nc2nc3ccccc3cc12,mutagenic -136-77-6,CCCCCCc1ccc(O)cc1O,non-mutagenic -102029-81-2,CC(N)C(=O)O,non-mutagenic -2541-69-7,Cc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -589-17-3,ClCc1ccc(Br)cc1,non-mutagenic -106-93-4,BrCCBr,mutagenic -98-88-4,ClC(=O)c1ccccc1,mutagenic -94-25-7,CCCCOC(=O)c1ccc(N)cc1,non-mutagenic -87259-00-5,OC1C=Cc2cc3c(ccc4ccccc34)c(c2C1O)[N+](=O)[O-],mutagenic -89-69-0,[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,mutagenic -3018-12-0,ClC(Cl)C#N,mutagenic -574-06-1,CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,non-mutagenic -56-75-7,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],non-mutagenic -528-53-0,Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3,non-mutagenic -202345-21-9,Cc1cc2c3ccccc3[nH]c2nc1NO,mutagenic -NOCAS_M162,O=C(OC[C@H]1CO1)c2cccc(c2)C(=O)OC[C@H]3CO3,mutagenic -68268-00-8,CN(C(=O)CCCCl)c1snc2ccccc12,non-mutagenic -63785-42-2,OS(=O)(=O)Oc1cccc2c3ccc4cccc5ccc(cc12)c3c45,non-mutagenic -49562-28-9,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,non-mutagenic -634-66-2,Clc1ccc(Cl)c(Cl)c1Cl,non-mutagenic -98105-99-8,OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O,non-mutagenic -298-02-2,CCOP(=S)(OCC)SCSCC,non-mutagenic -107-70-0,COC(C)(C)CC(=O)C,non-mutagenic -128350-00-5,CC(\C=C(/C#N)\c1ccc(Cl)c(Cl)c1)C(C(C#N)c2ccc(Cl)c(Cl)c2)c3ccccc3,mutagenic -84-15-1,c1ccc(cc1)c2ccccc2c3ccccc3,non-mutagenic -50-45-3,OC(=O)c1cccc(Cl)c1Cl,non-mutagenic -140-53-4,Clc1ccc(CC#N)cc1,non-mutagenic -548-62-9,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,non-mutagenic -5802-60-8,NN(Cc1ccccc1)Cc2ccccc2,non-mutagenic -106532-64-3,CC(C)C(=O)\N=C\1/SN(C(=O)C(C)C)c2ccc(cc12)[N+](=O)[O-],mutagenic -611-09-6,[O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,mutagenic -59-49-4,Oc1oc2ccccc2n1,non-mutagenic -2358-84-1,CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,non-mutagenic -98025-31-1,NC(CSC(=C(Cl)Cl)Cl)C(=O)O,mutagenic -120812-51-3,[O-][N+](=O)c1ccc2c3CCCCc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic -86-88-4,NC(=S)Nc1cccc2ccccc12,mutagenic -20562-02-1,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]8O)[C@@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,non-mutagenic -26049-69-4,CN(C)Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic -872-05-9,CCCCCCCCC=C,non-mutagenic -58658-11-0,Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic -74-11-3,OC(=O)c1ccc(Cl)cc1,non-mutagenic -84174-20-9,COc1ccc(CN(C)N=O)cc1,non-mutagenic -536-33-4,CCc1cc(ccn1)C(=S)N,non-mutagenic -1528-74-1,[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],mutagenic -508-71-4,CC1(CCC2(C)C(C1)C(=O)CC3C4(C)CCCC23OC4=O)C=C,non-mutagenic -NOCAS_M261,Cl[C@@H](Br)C#N,mutagenic -97055-37-3,OC(=O)C(=C(C(Cl)Cl)C(Cl)Cl)Cl,mutagenic -78967-07-4,COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3,non-mutagenic -NOCAS_M195,[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5ccc1c2c45,mutagenic -58071-32-2,C[C@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCNC(=N)CC7CCC(Cl)CC7,mutagenic -NOCAS_M143,Cc1c2[C@H]3N[C@H]3c4ccccc4c2cc5ccccc15,mutagenic -1072-52-2,OCCN1CC1,mutagenic -5307-14-2,Nc1ccc(N)c(c1)[N+](=O)[O-],mutagenic -75-69-4,FC(Cl)(Cl)Cl,non-mutagenic -7661-55-4,Cc1cccc2ncccc12,mutagenic -145569-98-8,COC(=O)\C(=C/CO)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)C12OC1C(O)(CCO)NC2=O,mutagenic -NOCAS_M241,C(Oc1ccccc1)[C@H]2CO2,mutagenic -72917-35-2,Cc1cc(c(C)c2c3cc(O)ccc3[nH]c12)[N+](=O)[O-],mutagenic -100-74-3,CCN1CCOCC1,mutagenic -126983-61-7,COC1=CC(=O)c2c(nc(C)c3c4c[nH]ccc4nc23)C1=O,mutagenic -85-41-6,O=C1NC(=O)c2ccccc12,non-mutagenic -13855-74-8,OCNC(=O)c1ccc(Cl)cc1,non-mutagenic -145627-69-6,Cc1cc2CCCc2c3ccc4C(O)C(O)C=Cc4c13,mutagenic -NOCAS_M12,C[C@H](COc1ccccc1)N(CCCl)Cc2ccccc2,mutagenic -69231-25-0,COC(=O)C1=C(C(C)OC1=O)c2ccccc2,non-mutagenic -75-88-7,FC(F)(F)CCl,non-mutagenic -135-68-2,Nc1ccc(cc1)c2ccc(Cl)cc2,mutagenic -42978-43-8,CC(=O)OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -80-70-6,CN(C)C(=N)N(C)C,non-mutagenic -3682-19-7,[O-][N+](=O)c1ccc2C(=O)NNC(=O)c2c1,mutagenic -129-09-9,O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7,non-mutagenic -37841-91-1,CC1(C)CC2C=C(C=O)C3(CC3(C)C2C1)C=O,mutagenic -85-86-9,Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccccc4,mutagenic -951-78-0,OCC1OC(CC1O)N2C=CC(=O)NC2=O,non-mutagenic -104535-30-0,Nc1cc(CCO)c(N)c(c1)[N+](=O)[O-],mutagenic -527-85-5,Cc1ccccc1C(=O)N,non-mutagenic -17987-99-4,OC(=O)c1c[n+]([O-])c2ccccc2[n+]1[O-],mutagenic -142438-65-1,COC(=O)C1=C(C)C(OC1=O)C(C)C,mutagenic -123-42-2,CC(=O)CC(C)(C)O,non-mutagenic -3577-63-7,Nc1ccc(cc1C(=O)O)S(=O)(=O)O,non-mutagenic -95741-56-3,Cc1c2c3cccc4cccc(c2c(C)c5ccccc15)c34,mutagenic -1397-89-3,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@@H](C[C@@H](O[C@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O,non-mutagenic -952-97-6,[O-][N+](=O)c1ccc(Sc2ccccc2)cc1,mutagenic -35572-78-2,Cc1c(N)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -2431-50-7,ClCC(Cl)C(=C)Cl,mutagenic -614-95-9,CCOC(=O)N(CC)N=O,mutagenic -55706-57-5,Cc1cc(C(=O)O)c2ncccc2c1,non-mutagenic -2598-99-4,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,non-mutagenic -102-71-6,OCCN(CCO)CCO,non-mutagenic -1330-78-5,Cc1ccc(O)cc1O[P@](=O)(Oc2ccc(O)cc2C)Oc3c(C)cccc3O,non-mutagenic -79-15-2,NC(=O)CBr,non-mutagenic -130040-14-1,CC(=O)N(O)c1ccc(Sc2ccccc2)cc1,mutagenic -118-52-5,CC1(C)N(Cl)C(=O)N(Cl)C1=O,non-mutagenic -69655-05-6,OC[C@H]1CC[C@H](O1)n2cnc3c(O)ncnc23,mutagenic -142382-11-4,OC(=O)c1ccc(\C=C\C(=O)CCC#N)cc1,non-mutagenic -30835-65-5,Cc1cc2ccccc2c3ccc4C(=O)CCc4c13,mutagenic -618-46-2,ClC(=O)c1cccc(Cl)c1,mutagenic -127045-41-4,CC1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4,non-mutagenic -4655-34-9,CC(C)OC(=O)C(=C)C,non-mutagenic -89-86-1,OC(=O)c1ccc(O)cc1O,non-mutagenic -371-40-4,Nc1ccc(F)cc1,mutagenic -111-15-9,CCOCCOC(=O)C,mutagenic -2322-45-4,CC(C)(Br)C(=O)Nc1ccccc1,non-mutagenic -79642-25-4,Nn1c2ccccc2c3cnccc13,mutagenic -185-72-8,C1CC2(CCO1)CO2,mutagenic -52253-69-7,Nc1nc(cs1)c2ccccc2,mutagenic -111712-50-6,CC(Br)C(Br)CCl,mutagenic -6452-71-7,CC(C)NCC(O)COc1ccccc1OCC=C,non-mutagenic -486-66-8,Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,non-mutagenic -79-34-5,ClC(Cl)C(Cl)Cl,non-mutagenic -37878-54-9,CCCOc1ccc(N)cc1N,mutagenic -88-72-2,Cc1ccccc1[N+](=O)[O-],non-mutagenic -106-47-8,Nc1ccc(Cl)cc1,mutagenic -91-84-9,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,non-mutagenic -98601-01-5,Cc1cc2ccccc2c3cc4C(O)C(O)C=Cc4cc13,mutagenic -546-88-3,CC(=O)NO,mutagenic -5447-11-0,CSCCC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic -27208-37-3,C1=Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic -20643-71-4,COc1c2ccoc2nc3cc(O)ccc13,non-mutagenic -7297-53-2,[O-][N+](=O)c1ccc(\C=C\c2cccc(Cl)c2)cc1,mutagenic -2373-51-5,CSCCl,mutagenic -3717-88-2,CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,non-mutagenic -61702-44-1,Nc1ccc(NOS(=O)(=O)O)cc1Cl,mutagenic -43192-07-0,Cc1ccc(NO)cc1C,mutagenic -16664-45-2,Cc1cc(C)c2ccc3ccccc3c2c1,mutagenic -149573-80-8,ONC(=O)Cc1cn(cn1)N=O,mutagenic -1187-42-4,N\C(=C(\N)/C#N)\C#N,non-mutagenic -299-75-2,CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(=O)(=O)C,mutagenic -104-98-3,OC(=O)\C=C\c1c[nH]cn1,non-mutagenic -59-14-3,OCC1OC(CC1O)N2C=C(Br)C(=O)NC2=O,non-mutagenic -134514-27-5,Nc1cc(c(N)cc1F)[N+](=O)[O-],mutagenic -82389-38-6,CC(=O)Nc1ccc(cc1)C(=O)[C@@H]2O[C@H]2c3ccccc3,mutagenic -91-17-8,C1CC[C@@H]2CCCC[C@H]2C1,non-mutagenic -3351-32-4,Cc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic -150446-01-8,Cc1c(\C=N\OCc2ccc(Cl)cc2Cl)c3cc(ccc3n1Cc4ccc(Cl)cc4)[N+](=O)[O-],non-mutagenic -215245-16-2,CCN(CCC#N)c1cc(NC(=O)C)c(cc1OC)n2nc3c(Br)cc(N)c(Cl)c3n2,mutagenic -97483-08-4,COP(=O)(OC)Oc1c(Cl)cc(C)cc1Cl,non-mutagenic -527-62-8,Nc1cc(Cl)cc(Cl)c1O,non-mutagenic -96383-86-7,O[C@@H]1C=Cc2c(ccc3c2ccc4ccc(O)cc34)[C@H]1O,mutagenic -22603-58-3,Cc1c(cc(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -86334-95-4,OC1CCC(O)(CN(CC(=O)O)N=O)C(O)C1O,non-mutagenic -162022-92-6,Clc1nncc2cnccc12,non-mutagenic -52101-39-0,COC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic -610-49-1,Nc1cccc2cc3ccccc3cc12,mutagenic -1187-84-4,CSCC(N)C(=O)O,non-mutagenic -5522-43-0,[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic -NOCAS_M428,C[C@@H](O)C(=O)C,non-mutagenic -512-04-9,CC1CCC2(OC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C,non-mutagenic -121-91-5,OC(=O)c1cccc(c1)C(=O)O,non-mutagenic -68140-48-7,CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(=O)C,non-mutagenic -74-31-7,N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,mutagenic -524-89-0,COc1c2ccoc2nc3cc4OCOc4cc13,mutagenic -202-03-9,C1=Cc2c3ccccc3cc4cccc1c24,mutagenic -155164-65-1,CCCCC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic -830-07-9,[O-][N+](=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -106532-66-5,CCCCC(=O)\N=C\1/SN(C(=O)CCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic -5307-00-6,COc1cc(N)c(C)cc1N,non-mutagenic -36791-04-5,NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,non-mutagenic -537-92-8,CC(=O)Nc1cccc(C)c1,non-mutagenic -162022-90-4,COc1nncc2cnccc12,non-mutagenic -700-00-5,Cn1cnc2c(N)ncnc12,mutagenic -161697-04-7,CN(C)c1ccc2nc(C)c(C)nc2c1C,mutagenic -76113-31-0,[O-][N+](=O)c1cc2c3ccccc3sc2c4ccccc14,mutagenic -119613-69-3,CCCc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,non-mutagenic -15121-84-3,OCCc1ccccc1[N+](=O)[O-],mutagenic -6138-79-0,Cc1ccc(cc1)\C(=C/CN2CCCC2)\c3ccccn3,non-mutagenic -98447-35-9,CC(C)C(=O)Nc1snc2cc(Cl)ccc12,non-mutagenic -NOCAS_M118,C[C@H]1CN1,mutagenic -611-36-9,Oc1ccnc2ccccc12,non-mutagenic -92072-10-1,[O-][N+](=O)c1ccc2c3c1cccc3c4cccc5ccc(c2c45)[N+](=O)[O-],mutagenic -89021-88-5,N[C@@H](CCC(=O)N[C@@H](CS\C(=C(\Cl)/C(=C(Cl)Cl)Cl)\Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic -121-61-9,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic -67019-32-3,CC(=O)Nc1snc2c(Cl)cc(Cl)cc12,non-mutagenic -110408-52-1,Oc1cccc2ccc3[nH]c4ccc5ccccc5c4c3c12,non-mutagenic -67-97-0,CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2\C(=C/C=C/3\C(CC[C@@H](C3)O)=C)\CCC[C@@]12C,non-mutagenic -629-14-1,CCOCCOCC,mutagenic -37962-27-9,[O-][N+](=O)c1oc(\C=C\C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-])cc1,mutagenic -128946-65-6,CCCCCC(O)\C=C\C=O,non-mutagenic -2784-94-3,CNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic -38246-95-6,CCOc1ccc(NO)cc1,mutagenic -129927-33-9,CCN(CC)CC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic -464-49-3,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,non-mutagenic -NOCAS_M124,O=C(OC[C@H]1CO1)[C@H]2CCCC[C@@H]2C(=O)OC[C@H]3CO3,mutagenic -82-86-0,O=C1C(=O)c2cccc3cccc1c23,mutagenic -487-99-0,CC(C)C(O)(C(C)O)C(=O)OCC1CCN2CCCC12,non-mutagenic -260-94-6,c1ccc2nc3ccccc3cc2c1,mutagenic -56183-24-5,OC1C(O)c2c(ccc3ccccc23)c4ccccc14,non-mutagenic -106532-62-1,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)CCCl)\c2c1)C(=O)CCCl,mutagenic -21802-46-0,Nc1ncnc2c1ncn2C(c3ccccc3)(c4ccccc4)c5ccccc5,mutagenic -1214-32-0,Nc1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic -98897-14-4,OCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O,mutagenic -61-76-7,CNC[C@@H](O)c1cccc(O)c1,non-mutagenic -124076-67-1,NC(CSC(F)(F)C(Cl)Cl)C(=O)O,non-mutagenic -82-68-8,[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -6232-91-3,COc1ccc2[nH]c(N)nc2c1,non-mutagenic -133830-97-4,CCC1C(=C(C)c2cc(O)ccc12)c3ccc(O)cc3,non-mutagenic -92-93-3,[O-][N+](=O)c1ccc(cc1)c2ccccc2,mutagenic -23445-00-3,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3C(=O)c4c(O)ccc(O)c4Oc3c1,mutagenic -1146-04-9,CC1=C2C(O)C(C)(C)C=C2C(=O)C(C)(O)C13CC3,mutagenic -106400-44-6,NC(CCS\C(=C\Cl)\Cl)C(=O)O,mutagenic -75584-89-3,CCOC(=O)C[n+]1csc2ccccc12,non-mutagenic -1163-05-9,[O-][n+]1c2ccc3ccccc3c2cc4c5ccccc5ccc14,non-mutagenic -105-58-8,CCOC(=O)OCC,non-mutagenic -153-98-0,NCCc1c[nH]c2ccc(O)cc12,non-mutagenic -6533-68-2,CN1[C@@H]2C[C@@H](C[C@H]1[C@H]3O[C@@H]23)OC(=O)[C@@H](CO)c4ccccc4,non-mutagenic -126222-34-2,CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CC3CCCCC3)C(O)C(O)C4CC4,non-mutagenic -55557-00-1,O=NN1CCCN(CC1)N=O,mutagenic -95050-14-9,[O-][N+](=O)c1cccc2c3cc4cccc5ccc6ccc(c12)c3c6c45,mutagenic -4584-57-0,CN(C)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -114607-46-4,OC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,non-mutagenic -30517-66-9,Oc1cccc2Oc3c4C5CCOC5Oc4cc(O)c3C(=O)c12,non-mutagenic -146795-28-0,COc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic -202-33-5,C1=Cc2c3ccc4ccccc4c3cc5cccc1c25,mutagenic -645-12-5,OC(=O)c1oc(cc1)[N+](=O)[O-],mutagenic -NOCAS_M286,C1O[C@H]1c2ccccc2,mutagenic -13365-37-2,CN(C)CCCNc1c2ccccc2nc3ccccc13,mutagenic -1456-28-6,CC1CN(CC(C)O1)N=O,mutagenic -29128-23-2,[O-][N+](=O)c1cc(c(c2ccccc2)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -1613-37-2,[O-][n+]1cccc2ccccc12,non-mutagenic -19770-52-6,C1=Cc2c3ccccc3cc4cc5ccccc5c1c24,mutagenic -76-14-2,FC(F)(Cl)C(F)(F)Cl,non-mutagenic -13849-08-6,CC(C)(O)C1Cc2cc3C=CC(=O)Oc3cc2O1,mutagenic -24245-99-6,[O-][N+](=O)c1ccc2nscc2c1,mutagenic -120-40-1,CCCCCCCCCCCC(=O)N(CCO)CCO,non-mutagenic -145241-75-4,Fc1cc(F)c2ncccc2c1,mutagenic -101821-44-7,NC(=N)c1cc2ccc(Br)cc2[nH]1,non-mutagenic -621-31-8,CCNc1cccc(O)c1,mutagenic -5831-16-3,C[C@@H]1CCc2c1cc(C)c3c2ccc4ccccc34,mutagenic -128753-88-8,COc1cccc2c1OC3(C)OOC23C,mutagenic -6691-68-5,CN(C)CCCNc1c2ccccc2nc3c(cccc13)[N+](=O)[O-],mutagenic -NOCAS_M99,CC[C@@]12O[C@]1(C(=O)OC)C(=O)N[C@]2(C)O,mutagenic -77314-23-9,Cn1c(NO)nc2c3cccnc3ccc12,mutagenic -59-31-4,Oc1ccc2ccccc2n1,non-mutagenic -67199-66-0,Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,mutagenic -2835-98-5,Cc1ccc(N)c(O)c1,mutagenic -73-24-5,Nc1[nH]cnc2ncnc12,mutagenic -496-72-0,Cc1ccc(N)c(N)c1,mutagenic -NOCAS_M234,O1[C@@H]2[C@H]1c3cc4c(ccc5ccccc45)cc3c6ccccc26,mutagenic -1070-70-8,C=CC(=O)OCCCCOC(=O)C=C,non-mutagenic -13154-57-9,CC(C)(C)OOC1(C)C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic -5208-87-7,O[C@H](C=C)c1ccc2OCOc2c1,non-mutagenic -39013-93-9,CCN(CCCl)CCCNc1c2ccccc2nc3c1ccc4cccnc34,mutagenic -112077-92-6,CC(=O)ON(C(=O)C)c1ccccc1C,non-mutagenic -124-64-1,OCP(CO)(CO)CO,non-mutagenic -20562-03-2,CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)N2C1,non-mutagenic -481-49-2,COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34,mutagenic -462-60-2,NC(=O)NCC(=O)O,non-mutagenic -109-83-1,CNCCO,non-mutagenic -1709-39-3,CCN(CC)S(=O)(=O)c1ccc(N)cc1,non-mutagenic -54484-91-2,CC[N+]([O-])(CC)CCn1nc2c3ccc(Cl)cc3Sc4c(CO)ccc1c24,mutagenic -97-54-1,COc1cc(\C=C/C)ccc1O,non-mutagenic -616-40-0,CCN(N)CC,non-mutagenic -60262-87-5,OC1C(Oc2ccc3cc4ccc5cccc6ccc(c3c2)c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic -1633-83-6,O=S1(=O)CCCCO1,mutagenic -57309-38-3,CC1(N(O)c2ccccc2/C/1=N\c3ccccc3)c4ccccc4,non-mutagenic -112653-29-9,OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O,non-mutagenic -120-78-5,S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,mutagenic -NOCAS_M120,C[C@H]1C[C@H](OC(=O)C)O[C@H](C)O1,mutagenic -13088-34-1,ClC(=C1OC(=O)C=C1)Cl,mutagenic -51-30-9,CC(C)NCC(O)c1ccc(O)c(O)c1,non-mutagenic -17700-09-3,[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,mutagenic -29082-75-5,ClC(=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Cl,non-mutagenic -67-21-0,CCSCC[C@H](N)C(=O)O,non-mutagenic -36504-67-3,C1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H]6O[C@H]16,mutagenic -97055-38-4,COC1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic -65445-61-6,ClC1CCN(CC1)N=O,mutagenic -118-96-7,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -5667-20-9,ONc1[nH]cnc2ncnc12,mutagenic -84-66-2,CCOC(=O)c1ccccc1C(=O)OCC,non-mutagenic -116374-65-3,CN(C)CCCNc1c2ccccc2nc3c(Cl)ccc(c13)[N+](=O)[O-],mutagenic -24496-65-9,c1ccc2c(c1)cc3ccc4cccc5ncc2c3c45,mutagenic -3397-62-4,Nc1nc(N)nc(Cl)n1,non-mutagenic -134-32-7,Nc1cccc2ccccc12,mutagenic -15110-74-4,[O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1,mutagenic -501-53-1,ClC(=O)OCc1ccccc1,non-mutagenic -605-94-7,COC1=C(OC)C(=O)C(=CC1=O)C,non-mutagenic -157996-59-3,Nc1c2ccccc2nc3ccc(Br)cc13,mutagenic -72-33-3,COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1,non-mutagenic -13177-29-2,[O-][N+](=O)c1cc2c3ccccc3c4cccc(c1)c24,mutagenic -29916-56-1,[O-][N+](=O)C1CCCC1,mutagenic -483-65-8,CC(C)c1ccc2c(ccc3c(C)cccc23)c1,non-mutagenic -81424-67-1,CNC(=O)ON(C(=O)C)C(=O)NC,mutagenic -434-13-9,C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,non-mutagenic -66-75-1,Oc1ncc(N(CCCl)CCCl)c(O)n1,mutagenic -112-70-9,CCCCCCCCCCCCCO,non-mutagenic -162022-89-1,NNc1nncc2ccncc12,mutagenic -102-13-6,CC(C)COC(=O)Cc1ccccc1,non-mutagenic -108171-26-2,CCCCCCCCCCCl,non-mutagenic -14191-22-1,[O-][N+](=O)c1ccc2c(c1)[nH]c3ccccc23,mutagenic -26741-53-7,CC(C)(C)c1ccc(OP2OCC3(COP(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C,non-mutagenic -15386-58-0,Clc1ccc(cc1Cl)N2C(=O)CCC2=O,non-mutagenic -75-36-5,CC(=O)Cl,non-mutagenic -2402-77-9,Clc1cccnc1Cl,mutagenic -33229-34-4,OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic -518-82-1,Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,mutagenic -523-66-0,COc1ccc2c(OC)c3ccoc3nc2c1,mutagenic -22608-53-3,COP(=O)(SC)SC,non-mutagenic -111-77-3,COCCOCCO,non-mutagenic -771-97-1,Nc1cc2ccccc2cc1N,mutagenic -56257-59-1,Oc1ccc2c3C(C4OC4C(=O)c13)C5(O)CCC(=O)c6c(O)ccc2c56,mutagenic -77-81-6,CCOP(=O)(C#N)N(C)C,non-mutagenic -345667-02-9,CC(C)(C)c1ccc(cc1)c2ccc(NO)cc2,mutagenic -115-86-6,O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,non-mutagenic -NOCAS_M201,OC[C@H]1CO1,mutagenic -610-15-1,NC(=O)c1ccccc1[N+](=O)[O-],mutagenic -57011-48-0,OC(CN=N#N)CN=N#N,mutagenic -194590-84-6,COCCN(CCOC)c1cc(NC(=O)C)c(cc1OC)n2nc3c(Br)cc(N)c(Cl)c3n2,mutagenic -159092-84-9,[O-][N+](=O)c1ccc2cc(c3ccc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -939-99-1,FC(F)(F)c1ccc(CCl)cc1,non-mutagenic -70-30-4,Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,non-mutagenic -28622-66-4,OC1C=Cc2c(ccc3ccccc23)C1O,mutagenic -20268-52-4,Clc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -14064-58-5,COc1cccc(\C=C\c2ccc(cc2)[N+](=O)[O-])c1,mutagenic -128349-98-4,CC(\C=C(\C#N)/c1ccc(Br)cc1)C(C(C#N)c2ccc(Br)cc2)c3ccccc3,non-mutagenic -5709-68-2,Cn1c(nc2ccccc12)[N+](=O)[O-],mutagenic -NOCAS_M283,BrC[C@H]1CO1,mutagenic -68268-12-2,CCN(C(=O)CCCCl)c1snc2ccccc12,non-mutagenic -98499-59-3,CSCNc1ccccc1,mutagenic -134998-77-9,[O-][N+](=O)c1cc2cccc3c4ccccc4c5cccc1c5c23,mutagenic -627-11-2,ClCCOC(=O)Cl,non-mutagenic -67019-22-1,CC(C)C(=O)Nc1snc2ccccc12,non-mutagenic -77376-01-3,CC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic -7227-91-0,CN(C)N=Nc1ccccc1,mutagenic -2578-75-8,CC(=O)Nc1nnc(s1)c2oc(cc2)[N+](=O)[O-],mutagenic -82389-34-2,O=C(C1OC1c2ccc(cc2)c3ccccc3)c4ccccc4,non-mutagenic -6428-94-0,Oc1ccc(N=Nc2ccc(cc2)[N+](=O)[O-])c(O)c1,non-mutagenic -38848-76-9,CCCCCCCCCCCCCC(=O)[N-][N+](C)(C)CC(C)O,non-mutagenic -115664-51-2,Oc1ccc2ccc3ccc(c4c5ccccc5c1c2c34)[N+](=O)[O-],mutagenic -55520-40-6,NC(Cc1ccc(O)cc1)C(=O)O,non-mutagenic -77109-49-0,COC(=O)C(CSCCBr)NC(=O)C,mutagenic -135-73-9,BrCC(=O)c1ccc(cc1)c2ccccc2,mutagenic -19213-10-6,CC(=O)CC(=O)Nc1ccc(O)cc1,non-mutagenic -86854-03-7,O=C1c2ccccc2c3ccc4ccc5ccccc5c4c13,non-mutagenic -79748-81-5,COC(=O)\C(=C\C)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12O[C@@H]1[C@](O)(CCO)NC2=O,mutagenic -123098-37-3,CC(=O)N1CNC(=O)N(C(=O)C)C1=O,non-mutagenic -61477-94-9,CC1CCCC(C)N1CCCC(O)(c2ccccc2)c3ccccn3,non-mutagenic -54567-09-8,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],mutagenic -1088-11-5,Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,non-mutagenic -13360-61-7,CCCCCCCCCCCCCC=C,non-mutagenic -90745-27-0,Cc1cccc2cccc(c12)[N+](=O)[O-],mutagenic -142-46-1,NC(=S)NNC(=S)N,non-mutagenic -6530-27-4,ONc1ccc(cc1)N=Nc2ccccc2,mutagenic -NOCAS_M259,CC(C)(C)CCCCCC(=O)OC[C@H]1CO1,mutagenic -134-58-7,Nc1nc(O)c2[nH]nnc2n1,non-mutagenic -59405-72-0,CCCCOc1ccc(cn1)N=Nc2ccc(cc2)N(CC)CC,mutagenic -98447-34-8,CCCC(=O)Nc1snc2cc(Cl)ccc12,non-mutagenic -115314-17-5,[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]2CO2,mutagenic -7300-59-6,NC(CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O,non-mutagenic -478-43-3,OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic -110-54-3,CCCCCC,non-mutagenic -58718-48-2,[O-][N+](=O)c1cccc2nc3cccc(c3nc12)[N+](=O)[O-],mutagenic -103393-72-2,ClCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic -598-38-9,OCC(Cl)Cl,mutagenic -159714-86-0,CCc1c2C3NC3c4ccccc4c2cc5ccccc15,mutagenic -92-31-9,CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1,mutagenic -108529-37-9,CC(=O)Nc1nc2c3cccnc3ccc2n1C,mutagenic -78-59-1,CC1=CC(=O)CC(C)(C)C1,non-mutagenic -6382-01-0,N[C@@H](CCC(=O)O)C(=O)O,non-mutagenic -22089-22-1,ClCCN(CCCl)P1(=O)OCCCN1CCCl,mutagenic -18234-46-3,CC(=O)OCc1cocc2c(C=O)ccc12,mutagenic -111712-51-7,CC(C)(Br)C(Br)CCl,non-mutagenic -32959-60-7,Cc1ccccc1c2oc3ccccc3n2,non-mutagenic -52-28-8,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3C,non-mutagenic -937-40-6,CN(Cc1ccccc1)N=O,mutagenic -NOCAS_M173,[O-][N+](=O)c1ccc2ccc3cccc4[C@H]5O[C@H]5c1c2c34,mutagenic -42794-87-6,Nc1c(F)cc(cc1F)c2cc(F)c(N)c(F)c2,mutagenic -85-82-5,Cc1cc(C)cc(c1)N=Nc2c(O)ccc3ccccc23,non-mutagenic -77191-36-7,Cc1cccc(C)c1NC(=O)CN2CCCC2=O,non-mutagenic -NOCAS_M381,CC(=CCC[C@@](C)(O)C=C)C,non-mutagenic -91575-28-9,CC(=O)Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,mutagenic -2221-41-2,COc1ccc2nc3occc3c(OC)c2c1,mutagenic -22008-60-2,CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O,non-mutagenic -53-70-3,c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,mutagenic -105708-79-0,CC(=O)OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic -113163-23-8,C1Cc2c(ccc3cccnc23)C4OC14,non-mutagenic -151-50-8,[C-]#N,non-mutagenic -83-66-9,COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -6473-13-8,Nc1ccc(N=Nc2ccc3cc(c(N=Nc4ccc(Nc5ccc(cc5S(=O)(=O)O)N=Nc6c(O)c7cc(ccc7cc6S(=O)(=O)O)N=Nc8ccc(N)cc8N)cc4)c(O)c3c2)S(=O)(=O)O)c(N)c1,mutagenic -101126-65-2,[O-][N+](=O)c1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)ccc3Oc2c1Cl,mutagenic -32534-81-9,Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,non-mutagenic -612-22-6,CCc1ccccc1[N+](=O)[O-],non-mutagenic -2912-62-1,ClC(C(=O)Cl)c1ccccc1,mutagenic -1197-55-3,Nc1ccc(CC(=O)O)cc1,mutagenic -13889-92-4,CCCSC(=O)Cl,mutagenic -4245-76-5,CNC(=N)N[N+](=O)[O-],mutagenic -1934-20-9,Oc1ccc2cc(ccc2c1N=Nc3ccccc3)S(=O)(=O)O,non-mutagenic -24279-91-2,COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C,mutagenic -128753-95-7,COCC12OOC1(C)c3ccccc3O2,mutagenic -126420-93-7,Brc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic -110-88-3,C1OCOCO1,non-mutagenic -7085-55-4,CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)C(O)C(O)C2O)C(O)C(O)C1O,non-mutagenic -63018-94-0,Cc1ccc2c(C)c3ccccc3c(C)c2c1,mutagenic -14346-19-1,Nc1snc2ccc(cc12)[N+](=O)[O-],mutagenic -81407-76-3,C\C=C\C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,mutagenic -NOCAS_M470,FC(F)(F)[C@H](Cl)Br,non-mutagenic -112-24-3,NCCNCCNCCN,mutagenic -60-11-7,CN(C)c1ccc(cc1)N=Nc2ccccc2,mutagenic -5786-21-0,CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,non-mutagenic -NOCAS_M288,C=CCCCC[C@H]1CO1,mutagenic -109-76-2,NCCCN,non-mutagenic -62690-96-4,C1CC=C2C(C1)CCc3ccccc23,mutagenic -616-72-8,Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -612-12-4,ClCc1ccccc1CCl,non-mutagenic -111380-10-0,Cn1cnc(c1c2ccccc2)[N+](=O)[O-],non-mutagenic -4612-63-9,Cc1cc2Cc3ccccc3c2cc1C,non-mutagenic -2508-20-5,O=Nc1ccc2c(Cc3ccccc23)c1,mutagenic -4947-27-7,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Nc4ccccc4,mutagenic -101-80-4,Nc1ccc(Oc2ccc(N)cc2)cc1,mutagenic -81-25-4,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,mutagenic -13107-39-6,Cc1ccc(cc1)[C@@H]2CO2,mutagenic -81-63-0,Oc1c2C(=N)CCC(=N)c2c(O)c3ccccc13,mutagenic -6385-62-2,C1C[n+]2ccccc2c3cccc[n+]13,non-mutagenic -59-67-6,OC(=O)c1cccnc1,non-mutagenic -2303-16-4,CC(C)N(C(C)C)C(=O)SC\C(=C\Cl)\Cl,mutagenic -37571-88-3,OC1C(O)c2cc3ccccc3c4ccc5cccc1c5c24,mutagenic -115453-71-9,NC(CS\C=C\Cl)C(=O)O,mutagenic -37574-48-4,Oc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic -1445-69-8,O=C1NNC(=O)c2ccccc12,non-mutagenic -17024-18-9,[O-][N+](=O)c1ccc2c(ccc3ccccc23)c1,mutagenic -548-42-5,CN1CC(=C[C@@H]2[C@H]1Cc3c[nH]c4cccc2c34)C,mutagenic -99520-58-8,Oc1ccc2c3ccc4ccc5cccc6cc(c2c1)c3c4c56,mutagenic -51868-46-3,COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CC=C)CC=C,mutagenic -92-84-2,N1c2ccccc2Sc3ccccc13,non-mutagenic -193-54-4,C1=Cc2ccc3c4ccccc4c5ccc1c2c35,mutagenic -53693-66-6,CCN(CC)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)N(CC)CC,mutagenic -224-42-0,c1ccc2c(c1)ccc3nc4ccc5ccccc5c4cc23,mutagenic -586-78-7,[O-][N+](=O)c1ccc(Br)cc1,mutagenic -107-06-2,ClCCCl,mutagenic -17070-45-0,COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1,mutagenic -43218-55-9,CCN(CC)CCn1nc2ccc(C)c3c4ccc(Cl)cc4Sc1c23,mutagenic -86640-16-6,COc1cc2nc3ccccc3c(O)c2cc1OC,mutagenic -215226-71-4,C\C(=C(\Cl)/C(=O)O)\C=O,mutagenic -103-76-4,OCCN1CCNCC1,non-mutagenic -316-14-3,Cc1cc2ccccc2c3cc4ccccc4cc13,mutagenic -52748-34-2,O=CC1C=COC=C1,non-mutagenic -758-17-8,CN(N)C=O,non-mutagenic -619-80-7,NC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -107-92-6,CCCC(=O)O,non-mutagenic -68-26-8,C\C(=C\CO)\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C,mutagenic -2611-82-7,Oc1ccc2cc(cc(c2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -61166-04-9,Cn1c2ccccc2c3cc(N)ccc13,mutagenic -123-77-3,NC(=O)N=NC(=O)N,mutagenic -594-72-9,CC(Cl)(Cl)[N+](=O)[O-],mutagenic -1955-45-9,CC1(C)COC1=O,mutagenic -59-30-3,Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1,non-mutagenic -97-02-9,Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -112-57-2,NCCNCCNCCNCCN,mutagenic -97284-34-9,Oc1ncc2ccc3cccc4ccc1c2c34,non-mutagenic -4648-33-3,COc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -131862-21-0,CN(C)CCNC(=O)c1cccn2cc(nc12)c3ccccc3,mutagenic -72273-04-2,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)COc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic -81-07-2,O=C1NS(=O)(=O)c2ccccc12,non-mutagenic -4426-50-0,C[C@H]1CCOS(=O)(=O)O1,mutagenic -146795-38-2,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(Cl)cc2,mutagenic -NOCAS_M491,CCCC[C@@H](CC)COC(=O)CCCCC(=O)OC[C@H](CC)CCCC,non-mutagenic -51576-10-4,CC(=O)OC12CCC3[C@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=C)C2,non-mutagenic -613-65-0,CN(C)c1ccc(cc1)N=Nc2ccc3ccccc3c2,mutagenic -3031-73-0,COO,mutagenic -NOCAS_M317,N[C@@H](CSCc1ccccc1)C(=O)O,non-mutagenic -9006-42-2,SC(=N\C=C\N=C(S)S)S,non-mutagenic -88266-67-5,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCC(N(C)c7ccc(OCc8ccccc8)c(OCc9ccccc9)c7)N(C)c%10ccc(OCc%11ccccc%11)c(OCc%12ccccc%12)c%10,mutagenic -24325-70-0,Cc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -59820-43-8,OCCN(CCO)c1ccc(cc1O)[N+](=O)[O-],mutagenic -69657-88-1,CN(C)c1ccc(N(C)C)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic -138805-31-9,CC(=O)Nc1cc(ccc1C)N=Nc2ccc(C)c(NC(=O)C)c2,non-mutagenic -115781-41-4,Cn1c(NS(=O)(=O)O)nc2c3nc(CO)cnc3ccc12,non-mutagenic -16423-19-1,CC1CCCC2(C)CCCCC12O,non-mutagenic -6041-94-7,Oc1c(cc2ccccc2c1N=Nc3cc(Cl)ccc3Cl)C(=O)Nc4ccccc4,mutagenic -23045-12-7,Cc1ccc2nc3ccccc3c(N)c2c1,mutagenic -146177-63-1,Cn1c(N)nc2c1ccc3nc(c4ccccc4)c(nc23)c5ccccc5,non-mutagenic -76-38-0,COC(F)(F)C(Cl)Cl,non-mutagenic -97931-39-0,[O-][N+](=O)c1c2CCc3cccc4ccc(c5ccccc15)c2c34,mutagenic -298-12-4,OC(=O)C=O,mutagenic -14861-17-7,Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic -1338-23-4,CC(=O)CCOOCCC(=O)C,non-mutagenic -519-73-3,c1ccc(cc1)C(c2ccccc2)c3ccccc3,non-mutagenic -4097-22-7,Nc1ncnc2c1ncn2[C@@H]3CC[C@H](CO)O3,mutagenic -72782-13-9,CN(Cc1ccc(cc1)C(=O)O)N=O,non-mutagenic -18810-04-3,NC(CCCCNCC(N)C(=O)O)C(=O)O,non-mutagenic -96910-71-3,CC1(C)CC2C3(C)CC3(C=O)C(=CC2(O)C1)C=O,mutagenic -90-13-1,Clc1cccc2ccccc12,mutagenic -366-70-1,CNNCc1ccc(cc1)C(=O)NC(C)C,non-mutagenic -59702-31-7,CCN1CCNC(=O)C1=O,non-mutagenic -86-57-7,[O-][N+](=O)c1cccc2ccccc12,mutagenic -555-68-0,OC(=O)\C=C\c1cccc(c1)[N+](=O)[O-],mutagenic -87812-99-5,[O-][N+](=O)c1cccc2oc3ccccc3c12,mutagenic -58-55-9,CN1C(=O)N(C)c2[nH]cnc2C1=O,non-mutagenic -33685-60-8,[O-][N+](=O)c1c2ccccc2c(c3ccccc13)[N+](=O)[O-],non-mutagenic -571-60-8,Oc1ccc(O)c2ccccc12,mutagenic -62-73-7,COP(=O)(OC)OC=C(Cl)Cl,mutagenic -121-54-0,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,non-mutagenic -191-26-4,c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45,mutagenic -142184-78-9,O1C2C3OC3c4ncccc4C12,non-mutagenic -94-13-3,CCCOC(=O)c1ccc(O)cc1,non-mutagenic -50700-49-7,CC(=O)N=C1C=CC(=O)C=C1,non-mutagenic -811-97-2,FCC(F)(F)F,non-mutagenic -116-71-2,O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68,mutagenic -626-43-7,Nc1cc(Cl)cc(Cl)c1,non-mutagenic -14098-44-3,C1COCCOc2ccccc2OCCOCCO1,non-mutagenic -59282-34-7,COc1cc(c(O)c(c1)C(C)(C)C)[N+](=O)[O-],non-mutagenic -31430-15-6,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3,non-mutagenic -29752-43-0,COc1cc(O)c2C(=O)OC3(C)CC(O)C(O)C=C3c2c1,non-mutagenic -117661-13-9,[O-][N+]1=C2C=CC(=O)C=C2\C(=N/c3ccccc3)\C1(c4ccccc4)c5ccccc5,non-mutagenic -125974-06-3,OC1OC(=O)C=C1CCl,mutagenic -173216-43-8,CC(CCN=N#N)c1ccccc1,mutagenic -19315-64-1,CCOc1ccc(cc1)N(O)C(=O)C,mutagenic -56355-17-0,CC(C(=O)O)c1ccc(Oc2nccs2)cc1,non-mutagenic -79-09-4,CCC(=O)O,non-mutagenic -73747-10-1,CCOC(=O)c1ccc(cc1)N(O)C=O,non-mutagenic -542-85-8,CCN=C=S,non-mutagenic -233-88-5,c1cnc2c(c1)ccc3cc[nH]c23,non-mutagenic -NOCAS_M277,OO[C@@H]1CCCc2ccccc12,mutagenic -513-31-5,BrCC(=C)Br,mutagenic -50-35-1,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,non-mutagenic -552-16-9,OC(=O)c1ccccc1[N+](=O)[O-],mutagenic -452-86-8,Cc1ccc(O)c(O)c1,non-mutagenic -26761-40-0,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,non-mutagenic -145-39-1,Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],non-mutagenic -108-42-9,Nc1cccc(Cl)c1,non-mutagenic -139953-97-2,CC\C=C\C=C\C=C\C=C\C=C\OCC(C)O,mutagenic -23246-96-0,C\C=C/1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,mutagenic -116-83-6,COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,mutagenic -101-59-7,Nc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -21794-55-8,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O)c4c(O)c3C(=O)c12)C(=O)C,mutagenic -4648-54-8,C[Si](C)(C)N=N#N,mutagenic -20930-10-3,CC#CC(OC(=O)NC1CCCCC1)(c2ccccc2)c3ccccc3,mutagenic -603-35-0,c1ccc(cc1)P(c2ccccc2)c3ccccc3,non-mutagenic -10335-79-2,ONC(=O)c1ccc2ccccc2c1,mutagenic -63655-40-3,Nc1nc2cc(ccc2[nH]1)C#N,mutagenic -128753-83-3,CC12OOC1Oc3ccccc23,mutagenic -15950-66-0,Oc1ccc(Cl)c(Cl)c1Cl,non-mutagenic -481-74-3,Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic -150445-97-9,[O-][N+](=O)c1cccc(CO\N=C\c2nc3cc(ccc3n2Cc4ccc(Cl)cc4)[N+](=O)[O-])c1,non-mutagenic -112380-30-0,CCCCN(N=O)\C(=N\O)\C=O,mutagenic -100-15-2,CNc1ccc(cc1)[N+](=O)[O-],mutagenic -NOCAS_M17,C(CC[C@H]1CO1)C[C@H]2CO2,mutagenic -590-86-3,CC(C)CC=O,non-mutagenic -132832-27-0,OC1C2OC2c3c(ccc4c5ccccc5c6ccccc6c34)C1O,mutagenic -60516-11-2,CC(=O)Nc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -67-63-0,CC(C)O,non-mutagenic -74-87-3,CCl,mutagenic -461-72-3,O=C1CNC(=O)N1,non-mutagenic -81-61-8,Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,mutagenic -NOCAS_M257,COC[C@H]1CO1,mutagenic -98982-99-1,COc1ccc(CN(CC[N+](C)(C)[O-])c2ccccn2)cc1,non-mutagenic -27758-60-7,Cc1ccc(cc1)N(N)c2ccc(C)cc2,mutagenic -168010-55-7,Cc1cc(cc(C)n1)c2cc3N(C4CC4)C5=CC(=O)NC(=O)N5c3cc2F,mutagenic -79-11-8,OC(=O)CCl,non-mutagenic -51483-39-7,ClCC(Br)CCl,mutagenic -117467-28-4,CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)\C=C\c3scnc3C)\c4csc(N)n4,non-mutagenic -145438-97-7,CN(N=O)C(=O)c1c(ncn1C)N(C)N=O,mutagenic -203-33-8,c1ccc2c(c1)c3cccc4cc5ccccc5c2c34,mutagenic -146795-31-5,Cc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic -62-55-5,CC(=N)S,non-mutagenic -148193-33-3,COc1nsc2cc(N)ccc12,mutagenic -88-75-5,Oc1ccccc1[N+](=O)[O-],non-mutagenic -103139-94-2,Cc1cnc2c(C)cc3c(nc(N)n3C)c2n1,mutagenic -4309-66-4,Nc1ccc(\C=C\c2ccccc2)cc1,mutagenic -24684-42-2,Cc1cc2CCC(=O)c2c3ccc4ccccc4c13,mutagenic -120014-85-9,OC1CCCc2c1cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-],mutagenic -2984-50-1,CCCCCCC1CO1,non-mutagenic -226-36-8,c1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23,mutagenic -563-41-7,NNC(=O)N,non-mutagenic -129134-96-9,CC1CC2C(Cc3cn(C4CCCC4)c5cccc2c35)N(C)C1,mutagenic -135086-97-4,Nn1nnc2c3ccccc3nc2c1O,mutagenic -138245-74-6,OCC(O)C(O)C(O)C(O)CN=N#N,mutagenic -59-87-0,NC(=O)N\N=C\c1oc(cc1)[N+](=O)[O-],mutagenic -139953-79-0,C1N(\N=C\c2ccc(Oc3ccccc3)cc2)N=Nc4c1[nH]c5ccccc45,non-mutagenic -108618-28-6,Nc1ccc(\C=C\c2cccc(c2)C#N)cc1,mutagenic -106063-42-7,COc1cc(O)ccc1Nc2c3ccccc3nc4ccccc24,mutagenic -71382-46-2,Cc1c2C3NC3c4ccccc4c2c(C)c5ccccc15,mutagenic -91-64-5,O=C1Oc2ccccc2C=C1,mutagenic -23590-58-1,Clc1nncc2ncccc12,non-mutagenic -50285-71-7,CCN(N=O)C(=O)N(C)C,mutagenic -40580-89-0,O=NN1CCCCCCCCCCCC1,mutagenic -97629-28-2,Cc1c(C)c(N)c(cc1N)[N+](=O)[O-],mutagenic -62783-50-0,CN(Cc1ccc(C)cc1)N=O,non-mutagenic -82414-02-6,Cc1ccc(cc1N=O)[N+](=O)[O-],mutagenic -87-62-7,Cc1cccc(C)c1N,mutagenic -99-52-5,Cc1cc(ccc1N)[N+](=O)[O-],mutagenic -42017-89-0,CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O,non-mutagenic -2687-41-4,CC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1,mutagenic -100-63-0,NNc1ccccc1,mutagenic -1210-35-1,O=C1c2ccccc2CCc3ccccc13,non-mutagenic -75-64-9,CC(C)(C)N,non-mutagenic -108-31-6,O=C1OC(=O)C=C1,non-mutagenic -96918-24-0,o1ccc2c1cc3ccc4cccc5ccc2c3c45,mutagenic -611-32-5,Cc1cccc2cccnc12,mutagenic -137-89-3,CCCC[C@H](CC)COC(=O)c1cccc(c1)C(=O)OC[C@@H](CC)CCCC,non-mutagenic -79526-11-7,C1OC1Oc2ccccc2,mutagenic -1948-33-0,CC(C)(C)c1cc(O)ccc1O,non-mutagenic -7224-61-5,COc1cc2c(CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c24)cc1O,non-mutagenic -108670-78-6,CC\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic -105361-86-2,O=Nc1cccc(c1)c2ccccc2,mutagenic -68268-11-1,CCN(C(=O)CCCl)c1snc2ccccc12,mutagenic -145679-85-2,Cc1cc2CCCc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic -479-92-5,CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,non-mutagenic -150-60-7,C(SSCc1ccccc1)c2ccccc2,mutagenic -135-49-9,Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,mutagenic -88598-56-5,[O-][N+](=O)c1ccc2ccc3cc4CCCCc4c5ccc1c2c35,mutagenic -60784-46-5,OCCNC(=O)N(CCCl)N=O,mutagenic -18137-96-7,[CH2-][N+](=O)[O-],non-mutagenic -5042-54-6,Cc1cc(N=Nc2ccccc2)c(N)cc1N,mutagenic -125-31-5,Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,non-mutagenic -2080-32-2,CCN(CC)S(=O)(=O)c1ccc(NC(=O)C)cc1,non-mutagenic -65-61-2,CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C,mutagenic -117-05-5,Clc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,mutagenic -69322-61-8,OC(=O)C1CC=C(OP2(NP(NP(N2)(Oc3ccc(cc3)C(=O)O)Oc4ccc(cc4)C(=O)O)(Oc5ccc(cc5)C(=O)O)Oc6ccc(cc6)C(=O)O)Oc7ccc(cc7)C(=O)O)C=C1,non-mutagenic -9014-90-8,CCCCCCCCCc1ccccc1C(CO)OS(=O)(=O)O,non-mutagenic -842-19-3,Oc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -75-47-8,IC(I)I,mutagenic -74-97-5,ClCBr,mutagenic -2784-27-2,Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,non-mutagenic -91991-22-9,CCCCC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic -36840-85-4,C=CC(=O)OCCCCCOC(=O)C=C,non-mutagenic -316-42-7,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,non-mutagenic -120-37-6,CCNc1cc(O)ccc1C,mutagenic -70644-19-8,Cc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic -120-72-9,c1ccc2[nH]ccc2c1,non-mutagenic -150-78-7,COc1ccc(OC)cc1,non-mutagenic -NOCAS_M256,O=NN1CCC[C@@H]1c2cccnc2,mutagenic -111-87-5,CCCCCCCCO,non-mutagenic -3209-22-1,[O-][N+](=O)c1cccc(Cl)c1Cl,non-mutagenic -3675-13-6,O=C\C=C\C=O,mutagenic -95-54-5,Nc1ccccc1N,mutagenic -52171-92-3,Cc1cccc2c1cc(C)c3c4ccccc4ccc23,mutagenic -132742-05-3,[O-][N+](=O)c1c2CCC=Cc2c3ccc4cccc5ccc1c3c45,non-mutagenic -21626-89-1,O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,non-mutagenic -38178-41-5,[O-][N+](=O)c1ccc2Oc3ccccc3Oc2c1,mutagenic -1072-43-1,CC1CS1,non-mutagenic -36050-09-6,NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic -66-71-7,c1cnc2c(c1)ccc3cccnc23,non-mutagenic -16683-64-0,C1=Cc2c3cc4ccccc4cc3cc5cccc1c25,mutagenic -107-01-7,C\C=C\C,non-mutagenic -59901-91-6,O[C@H]([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic -93673-31-5,O1C2C1c3c4ccc5ccccc5c4cc6cccc2c36,mutagenic -24367-94-0,CC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1,non-mutagenic -14088-71-2,OC(C1CC1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,non-mutagenic -30747-87-6,[O-][N+](=O)c1ccc2snc(Cl)c2c1,mutagenic -94223-88-8,[O-][N+](=O)c1ccc2nc3c(cc2c1)c4cccc5cccc3c45,mutagenic -90-44-8,O=C1c2ccccc2Cc3ccccc13,mutagenic -5131-60-2,Nc1ccc(Cl)c(N)c1,mutagenic -372-48-5,Fc1ccccn1,mutagenic -577-33-3,Oc1ccc2c(O)c3ccccc3cc2c1O,mutagenic -3070-86-8,CC(=O)Nc1ccc(Oc2ccc(NC(=O)C)cc2)cc1,non-mutagenic -137-05-3,COC(=O)C(=C)C#N,mutagenic -52671-42-8,O=Nc1ccc(Oc2ccccc2)cc1,mutagenic -98-95-3,[O-][N+](=O)c1ccccc1,non-mutagenic -463-58-1,O=C=S,mutagenic -142628-08-8,NC(CSC(F)(F)C(Cl)Br)C(=O)O,mutagenic -NOCAS_M492,C[C@@H](O)CN(C[C@@H](C)O)C[C@@H](C)O,non-mutagenic -2449-49-2,CC(N(C)C)c1ccccc1,non-mutagenic -NOCAS_M192,COC[C@@H](O)Cn1cc(nc1Cl)[N+](=O)[O-],mutagenic -159092-85-0,[O-][N+](=O)c1ccc2c(cc3cccc(c3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -33804-48-7,CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,mutagenic -107673-67-6,[O-][N+](=O)C1=Cc2cccc3c4cc5ccccc5cc4cc1c23,mutagenic -NOCAS_M479,CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)O,non-mutagenic -26049-71-8,NNc1nc(cs1)c2ccc(N)cc2,mutagenic -17683-09-9,Cc1ccc(NN=NCc2ccccc2)cc1,mutagenic -78113-36-7,CCCCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC(C(O)C(O)CO)C(NC(=O)C)C=O)C(=O)N)C(=O)O,non-mutagenic -NOCAS_M91,C[C@H]1CO1,mutagenic -220042-15-9,OC1=C\C(=N/c2ccc(cc2)[N+](=O)[O-])\C(=O)C=C1c3nnc(NC(=O)c4ccccc4)s3,mutagenic -606-20-2,Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -13098-39-0,FC(F)(F)C(=O)C(F)(F)F,non-mutagenic -2164-17-2,CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,non-mutagenic -37350-58-6,COCCc1ccc(OCC(O)CNC(C)C)cc1,non-mutagenic -26651-23-0,OS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic -64371-62-6,CC1(CO1)c2ccc(cc2)c3ccccc3,mutagenic -87-56-9,OC(=O)\C(=C(/Cl)\C=O)\Cl,mutagenic -142-62-1,CCCCCC(=O)O,non-mutagenic -33857-26-0,Clc1ccc2Oc3cc(Cl)ccc3Oc2c1,non-mutagenic -99-30-9,Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],mutagenic -50-34-0,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,non-mutagenic -84-54-8,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,non-mutagenic -54818-87-0,CC(=O)Nc1ccc(Sc2ccccc2)cc1,mutagenic -92887-88-2,CN(CCC#N)c1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic -72-55-9,ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,non-mutagenic -55792-21-7,CCCCCCCOc1ccccc1NC(=O)OCCN2CCCCC2,non-mutagenic -2923-68-4,OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,non-mutagenic -1229-55-6,COc1ccccc1N=Nc2c(O)ccc3ccccc23,mutagenic -1707-31-9,ON(C=O)c1ccc2ccccc2c1,mutagenic -1192-62-7,CC(=O)c1occc1,mutagenic -13360-63-9,CCCCNCC,non-mutagenic -13177-28-1,[O-][N+](=O)c1ccc2cccc3c4ccccc4c1c23,mutagenic -5381-78-2,Cn1cnc2cc(ccc12)[N+](=O)[O-],non-mutagenic -86-26-0,COc1ccccc1c2ccccc2,non-mutagenic -108-83-8,CC(C)CC(=O)CC(C)C,non-mutagenic -1774-66-9,Brc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic -1635-63-8,CNP1(NC)NP(NC)(NC)NP(NC)(NC)N1,non-mutagenic -13024-49-2,Nc1ccc(CCc2ccccc2)cc1,mutagenic -79642-33-4,CCOC(=O)Nc1cccc2c3c[nH]ccc3nc12,non-mutagenic -96563-11-0,CC1c2ccccc2c3ccc(F)cc13,mutagenic -129-44-2,Nc1cccc2C(=O)c3c(N)cccc3C(=O)c12,mutagenic -6109-97-3,CCn1c2ccccc2c3cc(N)ccc13,mutagenic -125157-97-3,CC1C2C(=Nc3ccccc23)N(C)c4c(C)cccc14,mutagenic -2475-46-9,CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,mutagenic -51938-21-7,CCCCN(CCC(=O)OC)N=O,mutagenic -1635-61-6,Nc1cc(Cl)ccc1[N+](=O)[O-],mutagenic -10312-83-1,COCC=O,mutagenic -53757-29-2,Cc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic -7227-92-1,CN(C)N=Nc1ccc(cc1)[N+](=O)[O-],mutagenic -3096-64-8,Cc1ccc(C)c(NO)c1,mutagenic -NOCAS_M281,N1[C@@H]2[C@H]1c3c(ccc4ccccc34)c5ccccc25,mutagenic -101-25-7,O=NN1CN2CN(CN(C2)N=O)C1,mutagenic -181256-48-4,NNc1nc2ccc3nc4ccccc4c(O)c3c2s1,mutagenic -NOCAS_M74,OC(=O)[C@@H](Cl)Br,mutagenic -5694-00-8,NC(=O)C1CO1,mutagenic -21340-68-1,COC(=O)C(C)(C)Oc1ccc(cc1)c2ccc(Cl)cc2,non-mutagenic -581-64-6,Nc1ccc2nc3ccc(N)cc3[s+]c2c1,mutagenic -31551-45-8,[O-][N+](=O)c1ccc2c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],mutagenic -17413-41-1,COc1cccc2c1cc3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c5cc6OCOc6c2c35,non-mutagenic -616-91-1,CC(=O)N[C@@H](CS)C(=O)O,mutagenic -160637-29-6,CC1=Cc2nc3c(ccc4ccccc34)c(C)c2C(O)C1O,mutagenic -544-16-1,CCCCON=O,mutagenic -1129-52-8,ClC[C@@H]1O[C@H](CCl)O[C@H](CCl)O1,mutagenic -580-21-2,Fc1ccc2ccccc2n1,non-mutagenic -92-54-6,C1CN(CCN1)c2ccccc2,non-mutagenic -1634-04-4,COC(C)(C)C,non-mutagenic -158729-31-8,CN(C)CCNS(=O)(=O)c1cccc2cccnc12,non-mutagenic -548-83-4,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3,non-mutagenic -1806-29-7,Oc1ccccc1c2ccccc2O,non-mutagenic -120-14-9,COc1ccc(C=O)cc1OC,non-mutagenic -623-25-6,ClCc1ccc(CCl)cc1,non-mutagenic -130005-62-8,Cc1cc(N)c(C)c2c3cc(O)ccc3[nH]c12,mutagenic -155164-58-2,Cc1ccc(cc1)S(=O)(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic -36239-01-7,CN(COC(=O)C)[N+](=O)[O-],mutagenic -389104-57-8,CC(C)c1c(N)ccc2c1Cc3ccccc23,mutagenic -17057-98-6,CC1c2ccccc2c3cccc(C)c13,mutagenic -55-63-0,[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-],mutagenic -115-90-2,CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,non-mutagenic -131229-60-2,CCCCON(OC(=O)C)C(=O)c1ccc(OC)cc1,mutagenic -NOCAS_M423,Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@H]1Br,non-mutagenic -6755-13-1,CN(C)C(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -4533-39-5,CN(C)CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-],mutagenic -15131-84-7,O1C2C1c3c(ccc4ccccc34)c5ccccc25,mutagenic -13171-21-6,CCN(CC)C(=O)\C(=C(\C)/OP(=O)(OC)OC)\Cl,mutagenic -87619-82-7,NC(CS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl)C(=O)O,mutagenic -114231-14-0,COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4,non-mutagenic -194479-75-9,Cc1ccc2nc3ccc(C)cc3c(N)c2c1,mutagenic -431-63-0,FC(F)C(F)C(F)(F)F,non-mutagenic -149396-91-8,Cc1ccc(c(O)c1C(O)c2ncc([N+](=O)[O-])n2C)C(C)(C)C,non-mutagenic -7220-79-3,CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,mutagenic -127072-58-6,CC\C=C\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic -143922-99-0,CC(=O)Nc1cccc(N=Nc2cccc(NC(=O)C)c2C)c1C,non-mutagenic -96-31-1,CNC(=O)NC,non-mutagenic -NOCAS_M359,CCCC[C@@H](CC)COCCC#N,non-mutagenic -173106-65-5,CC1(C)CC(C(=O)NCCCCCCCCCCCC(=O)O)C(C)(C)N1O,non-mutagenic -27343-29-9,Cc1cc2C(=O)CCCc2c3ccc4ccccc4c13,mutagenic -121-33-5,COc1cc(C=O)ccc1O,non-mutagenic -80-39-7,CCNS(=O)(=O)c1ccc(C)cc1,non-mutagenic -4553-62-2,C[C@H](CCC#N)C#N,mutagenic -3340-94-1,Cc1c2ccccc2nc3c1ccc4ccccc34,mutagenic -80734-02-7,CC1=C(COC(=O)C2N3C(SC2(C)C)C(NC(=O)C(N)c4ccccc4)C3=O)OC(=O)O1,non-mutagenic -26091-73-6,CC1(C)OC1COc2c3C=CC(=O)Oc3cc4occc24,non-mutagenic -50-47-5,CNCCCN1c2ccccc2CCc3ccccc13,non-mutagenic -20983-67-9,[O-][N+](=O)c1ccc(Nc2ccc(Cl)cc2)cc1,mutagenic -103124-62-5,CCOC(=O)C(=NNc1ccc(cc1)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)cc2)C(=O)OCC,non-mutagenic -488-23-3,Cc1ccc(C)c(C)c1C,non-mutagenic -112725-15-2,CN(N=O)C(OC(=O)C)C(=O)C,mutagenic -107673-66-5,[O-][N+](=O)C1=Cc2cc3cc4ccccc4cc3c5cccc1c25,mutagenic -41267-76-9,CC1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,mutagenic -3736-59-2,Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1C=O,non-mutagenic -55028-70-1,CCCCCC(C)(O)\C=C\C1C(O)CC(=O)C1C\C=C\CCCC(=O)O,non-mutagenic -103-90-2,CC(=O)Nc1ccc(O)cc1,non-mutagenic -509-14-8,[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],mutagenic -108283-48-3,CC(C)(C)OC(=O)NC(CN=N#N)C(=O)OC(C)(C)C,mutagenic -123447-62-1,CC1SC2=C(C(=O)O)C(=O)c3cc(F)c(cc3N12)N4CCN(CC5=C(C)OC(=O)O5)CC4,non-mutagenic -1877-73-2,OC(=O)Cc1cccc(c1)[N+](=O)[O-],non-mutagenic -527-53-7,Cc1cc(C)c(C)c(C)c1,non-mutagenic -60-35-5,CC(=O)N,non-mutagenic -215226-70-3,OC(=O)\C(=C(/CCl)\C=O)\Cl,mutagenic -155164-63-9,CC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic -98447-32-6,ClCC(=O)Nc1snc2cc(Cl)ccc12,mutagenic -117-18-0,[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,non-mutagenic -NOCAS_M61,CC(C)(C)c1ccc(OC[C@H]2CO2)cc1,mutagenic -63408-86-6,ONc1cc2ccccc2[nH]1,mutagenic -146177-61-9,Cc1cnc2c(n1)c(C)c(C)c3c2nc(N)n3C,mutagenic -61034-40-0,CC1CN(CC(C)N1C(=O)c2ccccc2)N=O,non-mutagenic -98-33-9,Cc1cc(ccc1N)S(=O)(=O)O,non-mutagenic -478-06-8,OC(=O)c1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,non-mutagenic -97629-64-6,Cc1cc(N)c(c(C)c1N)[N+](=O)[O-],non-mutagenic -75-65-0,CC(C)(C)O,non-mutagenic -91991-23-0,CC(C)CC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic -NOCAS_M86,CC(=C[C@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,mutagenic -57166-92-4,NCN,mutagenic -2550-75-6,ClCC1C(CCl)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,non-mutagenic -643-22-1,CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non-mutagenic -112-34-5,CCCCOCCOCCO,non-mutagenic -32766-75-9,CCCCCCCCCCCCCC(=O)N(O)c1ccc2c(Cc3ccccc23)c1,mutagenic -5412-25-9,OP(=O)(OCC(Br)CBr)OCC(Br)CBr,mutagenic -67-47-0,OCc1oc(C=O)cc1,mutagenic -114460-38-7,Cn1ccc2ccc3ccc4ccc(O)cc4c3c12,mutagenic -6422-86-2,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,non-mutagenic -NOCAS_M18,C[C@@H](O)CN,mutagenic -81593-15-9,ClN1C2C1c3ccccc3c4ccccc24,mutagenic -146-59-8,CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,mutagenic -957-52-8,ClCc1ccc2c3ccccc3c4cccc1c24,mutagenic -82017-48-9,CC1(C)SSCC(NC1=O)C(=O)O,non-mutagenic -86607-81-0,[O-][N+](=O)c1cccc2c1oc3ccccc23,mutagenic -7220-81-7,COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic -122-04-3,[O-][N+](=O)c1ccc(cc1)C(=O)Cl,mutagenic -57775-29-8,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,non-mutagenic -143-50-0,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,non-mutagenic -90-02-8,Oc1ccccc1C=O,non-mutagenic -53797-18-5,OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic -621-33-0,CCOc1cccc(N)c1,mutagenic -NOCAS_M501,CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1,non-mutagenic -117-39-5,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,mutagenic -4513-36-4,CC(C)(C)COC(=O)C=C,non-mutagenic -60564-31-0,Nc1cc2c(cc1[N+](=O)[O-])[nH]c3ccccc23,mutagenic -129-15-7,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],mutagenic -95-77-2,Oc1ccc(Cl)c(Cl)c1,non-mutagenic -103-50-4,C(OCc1ccccc1)c2ccccc2,non-mutagenic -NOCAS_M266,Cc1ccc(CC[C@H]2CO2)cc1,mutagenic -132769-75-6,OC1C2OC2c3c(ccc4ccc5c6ccccc6ccc5c34)C1O,mutagenic -552-30-7,OC(=O)c1ccc2C(=O)OC(=O)c2c1,non-mutagenic -5776-38-5,C[n+]1c2ccccc2c(N)c3ccccc13,mutagenic -117760-92-6,O[C@@H]1C=Cc2c([C@H]1O)c3ccc4ccccc4c3cc2[N+](=O)[O-],mutagenic -4450-68-4,Cc1ccc(cc1)S(=O)(=O)OCc2ccc(cc2)[N+](=O)[O-],mutagenic -90811-87-3,O=C(\C=C\c1ccc(Oc2ccccc2)cc1)c3ccccc3,non-mutagenic -120-71-8,COc1ccc(C)cc1N,mutagenic -592-41-6,CCCCC=C,non-mutagenic -841-18-9,CC(=O)Nc1ccc(\C=C/c2ccccc2)cc1,mutagenic -76-12-0,FC(Cl)(Cl)C(F)(Cl)Cl,mutagenic -557-48-2,CC\C=C\CC\C=C\C=O,non-mutagenic -114416-29-4,OC1C=Cc2c(ccc3ncccc23)C1O,non-mutagenic -NOCAS_M169,CCCC[C@@H](CC)COC[C@H]1CO1,mutagenic -479-13-0,Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,non-mutagenic -92-59-1,CCN(Cc1ccccc1)c2ccccc2,non-mutagenic -72-43-5,COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,non-mutagenic -NOCAS_M171,CCCCN(C[C@@H](O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O,mutagenic -87-66-1,Oc1cccc(O)c1O,mutagenic -77-78-1,COS(=O)(=O)OC,mutagenic -18463-85-9,CN(C)c1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic -530-50-7,NN(c1ccccc1)c2ccccc2,non-mutagenic -96337-40-5,CCN=[N+](C)[O-],non-mutagenic -141511-30-0,[O-][N+](=O)c1ccc2c(CCc3cc4c(CCc5ccccc45)cc23)c1,mutagenic -80-47-7,C[C@@H]1CC[C@H](CC1)C(C)(C)OO,mutagenic -505-70-4,OC(=O)\C=C\C=C\C(=O)O,non-mutagenic -109910-98-7,OC1C(O)c2cc3cc(ccc3cc2CC1=O)[N+](=O)[O-],non-mutagenic -110-46-3,CC(C)CCON=O,mutagenic -3081-61-6,CCNC(=O)CCC(N)C(=O)O,non-mutagenic -25152-84-5,CCCCC\C=C/C=C\C=O,non-mutagenic -816-57-9,CCCN(N=O)C(=O)N,mutagenic -112-62-9,CCCCCCCC\C=C/CCCCCCCC(=O)OC,non-mutagenic -367-25-9,Nc1ccc(F)cc1F,mutagenic -393-75-9,[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,non-mutagenic -81789-85-7,CC(C)NCC(O)COc1cccc2CC=Cc12,non-mutagenic -218-19-9,c1ccc2c(c1)ccc3c2ccc4cccnc34,mutagenic -68267-98-1,CN(C(=O)CCl)c1snc2ccccc12,non-mutagenic -120-62-7,CCCCCCCCS(=O)[C@H](C)Cc1ccc2OCOc2c1,non-mutagenic -1070-66-2,CCCCC(=C)C=O,mutagenic -139-65-1,Nc1ccc(Sc2ccc(N)cc2)cc1,mutagenic -54150-69-5,COc1ccc(N)c(OC)c1,mutagenic -127-19-5,CN(C)C(=O)C,non-mutagenic -58209-98-6,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](Cl)[C@@H](Cl)C5=O)c14,mutagenic -114454-59-0,OC1C(O)c2ccc(c3c4ccccc4c5cccc1c5c23)[N+](=O)[O-],mutagenic -82298-37-1,OC1C(Oc2cccc3c4ccc5cccc6ccc(cc23)c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic -27591-97-5,CCN(CC)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc23,mutagenic -17455-13-9,C1COCCOCCOCCOCCOCCO1,non-mutagenic -1634-78-2,CCOC(=O)C[C@@H](SP(=O)(OC)OC)C(=O)OCC,non-mutagenic -8003-22-3,O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,mutagenic -64-19-7,CC(=O)O,non-mutagenic -119631-00-4,Cc1ccc(cc1N)N=Nc2ccc(C)c(N)c2,mutagenic -77-47-4,ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,non-mutagenic -121-44-8,CCN(CC)CC,non-mutagenic -77061-07-5,BrCc1cccc2c3cccc4cccc(c12)c34,mutagenic -133762-79-5,Nc1nc(N)c2ncn(CC(O)CN=N#N)c2n1,mutagenic -3173-53-3,O=C=NC1CCCCC1,non-mutagenic -13048-33-4,C=CC(=O)OCCCCCCOC(=O)C=C,non-mutagenic -148193-38-8,O=C1N(CC2CO2)Sc3cc(OCC4CO4)ccc13,mutagenic -94-20-2,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,non-mutagenic -123-08-0,Oc1ccc(C=O)cc1,non-mutagenic -2179-59-1,CCCSSCC=C,non-mutagenic -60905-56-8,OC(Nc1snc2ccccc12)C(Cl)(Cl)Cl,non-mutagenic -28860-95-9,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,mutagenic -1163-19-5,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,non-mutagenic -88-23-3,Nc1cc(Cl)cc(c1O)S(=O)(=O)O,non-mutagenic -193-40-8,c1ccc2c(c1)c3nc4ccccc4c5c6ccccc6nc2c35,non-mutagenic -287-92-3,C1CCCC1,non-mutagenic -76-01-7,ClC(Cl)C(Cl)(Cl)Cl,non-mutagenic -70853-94-0,Cc1ccc(NO)c(C)c1,mutagenic -624-92-0,CSSC,non-mutagenic -524-15-2,COc1cccc2c(OC)c3ccoc3nc12,mutagenic -526-73-8,Cc1cccc(C)c1C,mutagenic -55256-49-0,Oc1cccc2Oc3cc4OC5OC=CC5c4c(O)c3C(=O)c12,non-mutagenic -NOCAS_M368,N[C@H](Cc1ccc(F)cc1)C(=O)O,non-mutagenic -126637-65-8,NC(CSC(F)(F)C(Br)Br)C(=O)O,mutagenic -476-66-4,Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,non-mutagenic -171866-15-2,C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)[C@H](I)[C@H](O)[C@@H]1O,mutagenic -56525-94-1,COc1nncc2cccnc12,non-mutagenic -54779-53-2,Cc1c2ccncc2c(C)c3c4cc(N)ccc4[nH]c13,mutagenic -6449-35-0,COc1cc(ccc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6ccc(N)cc6cc5S(=O)(=O)O)c(OC)c4,mutagenic -133762-85-3,CSc1ncnc2c1ncn2CC(O)CN=N#N,mutagenic -61-25-6,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,non-mutagenic -54-91-1,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,mutagenic -1141-35-1,Clc1ccc(cc1)c2oc3ccccc3n2,non-mutagenic -108-93-0,OC1CCCCC1,non-mutagenic -28166-06-5,[O-][N+](=O)c1cc(ccc1F)N=N#N,mutagenic -475-80-9,OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],mutagenic -4444-68-2,CCCCN(CC)CC,non-mutagenic -97-86-9,CC(C)COC(=O)C(=C)C,non-mutagenic -13014-18-1,Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,mutagenic -56892-33-2,Oc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic -122088-20-4,O[C@H]1C=Cc2ccc3nc4ccc5ccccc5c4cc3c2[C@@H]1O,mutagenic -99152-10-0,CC(C)C(NC(=O)C)C(=O)N(CC(=O)O)N=O,mutagenic -119-75-5,[O-][N+](=O)c1ccccc1Nc2ccccc2,non-mutagenic -120-83-2,Oc1ccc(Cl)cc1Cl,non-mutagenic -55556-88-2,C[C@@H]1CN(N=O)[C@@H](C)CN1N=O,mutagenic -122-01-0,ClC(=O)c1ccc(Cl)cc1,non-mutagenic -118-58-1,Oc1ccccc1C(=O)OCc2ccccc2,non-mutagenic -56120-28-6,OS(=O)(=O)c1ccc(NN=Nc2ccc(cc2)S(=O)(=O)O)cc1,non-mutagenic -645-45-4,ClC(=O)CCc1ccccc1,mutagenic -951-80-4,Nc1ccc2c(N)c3ccccc3nc2c1,mutagenic -7097-60-1,NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,non-mutagenic -56600-58-9,CCc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],mutagenic -431-89-0,FC(C(F)(F)F)C(F)(F)F,non-mutagenic -10474-14-3,CC(Br)(CCl)CBr,non-mutagenic -538-41-0,Nc1ccc(cc1)N=Nc2ccc(N)cc2,mutagenic -102-01-2,CC(=O)CC(=O)Nc1ccccc1,non-mutagenic -193-39-5,c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,mutagenic -146795-37-1,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2F,mutagenic -138835-33-3,[O-][N+](=O)c1ccc2ccc3c4c(ccc1c24)c5ccccc5[n+]3[O-],mutagenic -146795-41-7,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(Br)cc2,mutagenic -110-57-6,ClC\C=C\CCl,mutagenic -53-94-1,ONc1ccc2c(Cc3ccccc23)c1,mutagenic -95-46-5,Cc1ccccc1Br,non-mutagenic -1517-05-1,OCCN=N#N,mutagenic -624-18-0,Nc1ccc(N)cc1,mutagenic -37850-99-0,CC(=O)c1c(O)cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c12,non-mutagenic -885-82-5,Oc1ccc(cc1[N+](=O)[O-])c2ccccc2,non-mutagenic -84174-24-3,CN(Cc1ccc(cc1)[N+](=O)[O-])N=O,mutagenic -2475-45-8,Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,mutagenic -576-24-9,Oc1cccc(Cl)c1Cl,non-mutagenic -610-14-0,[O-][N+](=O)c1ccccc1C(=O)Cl,mutagenic -57470-96-9,CCNC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,non-mutagenic -19952-47-7,Nc1nc2c(Cl)cccc2s1,non-mutagenic -82856-97-1,CC(C)c1cc(N)c(cc1N)[N+](=O)[O-],mutagenic -146795-40-6,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2Cl,mutagenic -99601-30-6,CCn1c(N)nc2c3ncc(C)nc3ccc12,mutagenic -35089-70-4,CCCCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic -4629-58-7,Nc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -7040-57-5,CC(OP(=O)(C)Cl)C(C)(C)C,non-mutagenic -3602-55-9,CC(C)(C)C1=CC(=O)C=CC1=O,mutagenic -131229-63-5,CCCCON(OC(=O)C)C(=O)c1ccc(Br)cc1,mutagenic -96563-08-5,CC1c2ccccc2c3c(C)cccc13,mutagenic -86827-66-9,Cc1cc2ccccc2c3ccc4C(=O)C(=O)C=Cc4c13,mutagenic -105-59-9,CN(CCO)CCO,non-mutagenic -110-44-1,C\C=C/C=C\C(=O)O,non-mutagenic -549-38-2,C[C@@H]1CCc2c1ccc3c2ccc4ccccc34,mutagenic -583-39-1,Sc1nc2ccccc2[nH]1,non-mutagenic -136196-46-8,[O-][N+](=O)c1ccc(N\N=C(\N=Nc2ccc(I)cc2)/c3ccccc3)cc1,non-mutagenic -142044-39-1,[O-][n+]1cccc2C=CC3OC3c12,non-mutagenic -57309-30-5,ON1c2ccccc2\C(=N/c3ccccc3)\C1(c4ccccc4)c5ccccc5,non-mutagenic -139493-54-2,Cc1ccc2cc(C)c3c4C5OC5C(O)C(O)c4ccc3c2c1,mutagenic -76144-81-5,C[N+](C)(C)NCCC(=O)O,non-mutagenic -105052-38-8,[O-][N+](=O)C1=Cc2cccc3cccc(O1)c23,mutagenic -23511-78-6,BrCCC(Br)Br,mutagenic -137-18-8,CC1=CC(=O)C(=CC1=O)C,non-mutagenic -3054-60-2,Cc1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,mutagenic -127923-99-3,OC(CC(=O)OCCBr)C(=O)OCCBr,mutagenic -2564-64-9,CC(=O)OCc1c2ccccc2c(C)c3ccc4ccccc4c13,mutagenic -2941-64-2,CCSC(=O)Cl,non-mutagenic -91-66-7,CCN(CC)c1ccccc1,non-mutagenic -485-47-2,OC1(O)C(=O)c2ccccc2C1=O,non-mutagenic -869-01-2,CCCCN(N=O)C(=O)N,mutagenic -28289-54-5,CN1CCC(=CC1)c2ccccc2,non-mutagenic -109143-17-1,[O-][N+](=O)c1oc2cc(ccc2c1)N(CCCl)CCCl,mutagenic -33089-61-1,CN(\C=N\C=N\c1ccc(C)cc1C)c2ccc(C)cc2C,non-mutagenic -60504-57-6,CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3C1C(=O)OC,mutagenic -6358-31-2,COc1ccccc1NC(=O)[C@H](N=Nc2ccc(cc2OC)[N+](=O)[O-])C(=O)C,non-mutagenic -109897-78-1,OC1C=Cc2cc3ccc(cc3cc2C1O)[N+](=O)[O-],mutagenic -89837-94-5,CC(=O)CN(COC(=O)C)N=O,mutagenic -21739-91-3,COc1ccc(cc1)\C(=C/C(=O)O)\Br,mutagenic -108-60-1,C[C@H](CCl)O[C@H](C)CCl,mutagenic -98809-36-0,Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,non-mutagenic -99-75-2,COC(=O)c1ccc(C)cc1,non-mutagenic -623-17-6,CC(=O)OCc1occc1,mutagenic -25155-25-3,CC(C)(C)OOC(C)(C)c1cccc(c1)C(C)(C)OOC(C)(C)C,non-mutagenic -1709-52-0,CNS(=O)(=O)c1ccc(N)cc1,non-mutagenic -32740-01-5,Cc1cccc2c(C)c3ccc4ccccc4c3nc12,mutagenic -578-54-1,CCc1ccccc1N,non-mutagenic -132172-56-6,O1C=CC=Cc2c1c3ccccc3c4cc5ccccc5cc24,mutagenic -17573-23-8,C1Cc2cc3ccc4cccc5ccc(c2C=C1)c3c45,mutagenic -2491-52-3,[O-][N+](=O)c1ccc(cc1)N=Nc2ccccc2,mutagenic -123-35-3,CC(=CCCC(=C)C=C)C,non-mutagenic -99-12-7,Cc1cc(C)cc(c1)[N+](=O)[O-],mutagenic -81-54-9,Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -121-79-9,CCCOC(=O)c1cc(O)c(O)c(O)c1,non-mutagenic -494-03-1,ClCCN(CCCl)c1ccc2ccccc2c1,mutagenic -111858-68-5,Cc1ccc(cc1)N(CC2(O)OCC(O)C(O)C2O)N=O,mutagenic -584-84-9,Cc1ccc(cc1N=C=O)N=C=O,mutagenic -920-37-6,ClC(=C)C#N,non-mutagenic -6027-98-1,COc1ccc2c3CCN=C(C)c3[nH]c2c1,non-mutagenic -154028-32-7,COc1cccc(\C=C\c2ccc(N)cc2)c1,mutagenic -13147-25-6,CCN(CCO)N=O,mutagenic -103748-25-0,Cn1c(N)nc2cc(Cl)ccc12,mutagenic -1975-50-4,Cc1c(cccc1[N+](=O)[O-])C(=O)O,mutagenic -118995-83-8,NC(CCC(=O)NC(CSC(=O)NCCCCl)C(=O)NCC(=O)O)C(=O)O,mutagenic -106449-56-3,Nc1nc(O)nc2c1ncn2C3CC(O)C(CO)O3,non-mutagenic -491-36-1,Oc1ncnc2ccccc12,non-mutagenic -14129-84-1,ClC(Cl)C(=C(Cl)Cl)C=O,mutagenic -326-61-4,CC(=O)OCc1ccc2OCOc2c1,non-mutagenic -126572-79-0,OC(=O)\C(=C(\C(Cl)Cl)/C(=O)O)\Cl,mutagenic -481-72-1,OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic -53473-85-1,Nc1ccc2sncc2c1,mutagenic -109875-50-5,Nc1[nH]c(nc2ncnc12)c3ccc(cc3)[N+](=O)[O-],mutagenic -149-30-4,Sc1nc2ccccc2s1,non-mutagenic -35691-65-7,BrC[C@](Br)(CCC#N)C#N,non-mutagenic -1562-94-3,COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,mutagenic -122-14-5,COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],mutagenic -100-29-8,CCOc1ccc(cc1)[N+](=O)[O-],mutagenic -76547-98-3,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,non-mutagenic -15721-02-5,Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,mutagenic -13010-47-4,ClCCN(N=O)C(=O)NC1CCCCC1,mutagenic -3731-39-3,CN(C)c1ccc(cc1)N=Nc2ccccc2C,non-mutagenic -128714-75-0,[O-][N+](=O)c1ccc2ccc3c(c4ccccc4c5ccc1c2c35)[N+](=O)[O-],mutagenic -71400-34-5,[O-][N+](=O)c1ccc2Oc3ccc(cc3Oc2c1)[N+](=O)[O-],mutagenic -151378-34-6,O[C@@H]1[C@@H]2O[C@@H]2c3c(ccc4c5cccc6cccc(c34)c56)[C@H]1O,mutagenic -84-68-4,Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,mutagenic -471-80-7,CC12CCCC(C)(C1CCC34CC(=C)C(O)(CCC23)C4)C(=O)O,mutagenic -13676-54-5,O=C1C=CC(=O)N1c2ccc(Cc3ccc(cc3)N4C(=O)C=CC4=O)cc2,non-mutagenic -NOCAS_M549,CCCC[C@H](CC)C(=O)O,non-mutagenic -25155-23-1,Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc3ccc(C)cc3C)c(C)c1,non-mutagenic -69458-17-9,CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,non-mutagenic -1571-08-0,COC(=O)c1ccc(C=O)cc1,non-mutagenic -122547-49-3,CC(O)C1C2SC(=C(N2C1=O)C(=O)O)C3CCCO3,non-mutagenic -88552-47-0,ClC1=CC(=O)C(Cl)(Cl)C1=O,mutagenic -84807-61-4,CC1(C)CCCC2(C)C1CCC3(C)C2CC=C(C=O)C3C=O,non-mutagenic -1516-73-0,Cn1c(N=N#N)nc2ccccc12,mutagenic -57830-29-2,CN(C)CCN(Cc1ccc(O)cc1)c2ccccn2,non-mutagenic -4825-86-9,CC1Cc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,non-mutagenic -77-92-9,OC(=O)CC(O)(CC(=O)O)C(=O)O,non-mutagenic -58139-52-9,[O-][N+](=O)c1csc(c1)c2csc(NC=O)n2,mutagenic -7779-30-8,CCC(=O)\C=C\C1C(=CCCC1(C)C)C,non-mutagenic -122-66-7,N(Nc1ccccc1)c2ccccc2,mutagenic -104485-01-0,CCCCCOc1cccc(NC(=O)OC2CCCCC2N3CCCC3)c1,non-mutagenic -102-69-2,CCCN(CCC)CCC,non-mutagenic -170660-62-5,ClC(=C1CC(=O)NC1=O)Cl,mutagenic -516-06-3,CC(C)C(N)C(=O)O,non-mutagenic -123-68-2,CCCCCC(=O)OCC=C,non-mutagenic -98-16-8,Nc1cccc(c1)C(F)(F)F,non-mutagenic -93-27-6,COc1cc(ccc1NC(=O)C)[N+](=O)[O-],mutagenic -133331-34-7,CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4([C@@H]5C[C@@H](Br)CC[C@]5(C)[C@@H]3CC[C@]12C)S(=O)(=O)CCS4(=O)=O,mutagenic -6884-87-3,CNS(=O)(=O)c1ccc(NC(=O)C)cc1,non-mutagenic -30516-87-1,CC1=CN([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,mutagenic -120812-50-2,[O-][N+](=O)c1cc(c2c3CCCCc3c4cccc5ccc1c2c45)[N+](=O)[O-],mutagenic -16219-99-1,CN(N=O)c1ccncc1,non-mutagenic -115-53-7,COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O,non-mutagenic -116-06-3,CNC(=O)O\N=C/C(C)(C)SC,non-mutagenic -34250-70-9,CC(=O)Nc1snc2ccccc12,mutagenic -106686-68-4,C=CCN(CC=C)C1C(N2C3C2c4ccccc4c5ccccc35)c6ccccc6c7ccccc17,non-mutagenic -122587-20-6,CC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-],mutagenic -62960-69-4,CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCc7c[nH]cn7,mutagenic -146795-35-9,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(F)cc2,mutagenic -215226-74-7,OC(=O)\C(=C(/CCl)\C(=O)O)\Cl,non-mutagenic -708-42-9,CCCNc1snc2ccccc12,non-mutagenic -141691-41-0,Cn1c(N)nc2cc(ccc12)C#N,mutagenic -105427-02-9,O=C(NCc1ccccc1)C2CO2,mutagenic -3034-42-2,Cn1cncc1[N+](=O)[O-],mutagenic -1073-05-8,O=S1(=O)OCCCO1,mutagenic -1878-66-6,OC(=O)Cc1ccc(Cl)cc1,non-mutagenic -99-07-0,CN(C)c1cccc(O)c1,mutagenic -779-03-3,Nc1c2ccccc2cc3ccccc13,mutagenic -98-74-8,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,mutagenic -579-66-8,CCc1cccc(CC)c1N,mutagenic -1204-72-4,Cc1cc2ccccc2cc1[N+](=O)[O-],non-mutagenic -109527-10-8,CC(=O)OC1COC(Nc2ccc(cc2)[N+](=O)[O-])C(OC(=O)C)C1OC(=O)C,mutagenic -38966-21-1,CC1(CO)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO,non-mutagenic -10264-12-7,CCC(=O)NCc1ccccc1,non-mutagenic -NOCAS_M87,C[C@@H](Cl)CCl,mutagenic -NOCAS_M343,OC(=O)[C@H]1[C@@H](C(=O)O)[C@@]2(Cl)C(=C(Cl)[C@]1(Cl)C2(Cl)Cl)Cl,non-mutagenic -101328-96-5,ClC1(Cl)C(=O)C=CC1=O,mutagenic -24966-35-6,CNC(=O)N(O)C(=O)NC,non-mutagenic -590-17-0,BrCC#N,non-mutagenic -58139-48-3,[O-][N+](=O)c1ccc(s1)c2nc(N3CCOCC3)c4ccccc4n2,mutagenic -107-29-9,C\C=N/O,mutagenic -126420-92-6,Fc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic -2224-15-9,C(COCC1CO1)OCC2CO2,mutagenic -3567-66-6,Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -836-30-6,[O-][N+](=O)c1ccc(Nc2ccccc2)cc1,non-mutagenic -2304-83-8,O=C1C=Cc2c(ccc3c2ccc4ccccc34)C1=O,non-mutagenic -6098-45-9,CC(=O)N(OC(=O)c1ccccc1)c2ccc3c(Cc4ccccc34)c2,mutagenic -82085-94-7,NC[C@@H]1CC[C@H](CC1)C(=O)c2ccc(CCC(=O)O)cc2,non-mutagenic -92557-61-4,Cn1cc(CC2(O)C(=O)CC3C(O)COC23O)c4ccccc14,mutagenic -4437-51-8,CCC(=O)C(=O)CC,mutagenic -505-60-2,ClCCSCCCl,mutagenic -110021-94-8,CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccc(cc24)N=N#N)cc1,mutagenic -13593-03-8,CCOP(=S)(OCC)Oc1cnc2ccccc2n1,non-mutagenic -93-79-8,CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -NOCAS_M315,CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(c1)C(=O)C,non-mutagenic -51042-51-4,[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)[N+](=O)[O-])cc1,mutagenic -54992-23-3,OC(=O)c1ccc(\C=C\c2oc(cc2)[N+](=O)[O-])cc1,mutagenic -132-86-5,Oc1cc(O)c2ccccc2c1,mutagenic -101-39-3,C\C(=C\c1ccccc1)\C=O,non-mutagenic -114460-40-1,Cc1cc2[nH]c(C)nc2c3c1ccc4ccc(O)cc34,mutagenic -476-43-7,Cc1cc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,mutagenic -22204-53-1,COc1ccc2cc(ccc2c1)C(C)C(=O)O,non-mutagenic -118-08-1,COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34,non-mutagenic -161708-24-3,C\C(=C(\Cl)/C(=O)O)\C(=O)O,non-mutagenic -1570-64-5,Cc1cc(Cl)ccc1O,non-mutagenic -570-74-1,CC(C)CCCC(C)C1CCC2C3CC=C4CCCCC4(C)C3CCC12C,non-mutagenic -31272-21-6,Cc1nn(C)c(N)c1C(=O)c2ccccc2F,mutagenic -943-93-1,C1C\C=C\CCC2OC2CC\C=C/1,non-mutagenic -700-02-7,Nc1c2[nH]cnc2nc[n+]1[O-],mutagenic -565-20-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,non-mutagenic -60223-52-1,COc1ccc2c(c1)c3cc(OC)ccc3c4c5ccc(OC)cc5c6cc(OC)ccc6c24,mutagenic -554-00-7,Nc1ccc(Cl)cc1Cl,mutagenic -557-61-9,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,non-mutagenic -126-98-7,CC(=C)C#N,non-mutagenic -74-89-5,CN,non-mutagenic -343-94-2,NCCc1c[nH]c2ccccc12,non-mutagenic -1640-39-7,CC1=Nc2ccccc2C1(C)C,non-mutagenic -64894-90-2,CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)N=N#N)cc1,mutagenic -821-06-7,BrC\C=C/CBr,mutagenic -64188-66-5,CCCCN1C2C1c3ccccc3c4ccccc24,mutagenic -700-86-7,Nc1snc2cc(Cl)ccc12,mutagenic -113359-04-9,CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccn4ncccc34)\c5nsc(N)n5,non-mutagenic -NOCAS_M1,CC[C@@H](C)ON=O,mutagenic -4406-41-1,CC(C)C(=O)Nc1ccccc1,non-mutagenic -235760-36-8,Cc1cc(C)c2nsnc2c1[N+](=O)[O-],mutagenic -95-82-9,Nc1cc(Cl)ccc1Cl,non-mutagenic -50385-24-5,[O-][N+](=O)c1ccccc1\C=C\c2ccccn2,mutagenic -98033-25-1,Cc1nc2c(ccc3ccc4ccc(O)cc4c23)n1C,mutagenic -46817-91-8,CCOc1ccccc1OCC2CNCCO2,non-mutagenic -119525-97-2,CCC\C=C\C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C34CC23C(=O)OC4O,mutagenic -61740-00-9,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CC[C@@H]5O)c14,mutagenic -35281-25-5,C1c2ccccc2Cc3c1c4ccccc4c5ccccc35,mutagenic -104527-49-3,OCC12COC(N1C(OC2)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-],mutagenic -85068-73-1,CCN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic -528-74-5,CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O,non-mutagenic -62625-14-3,Nc1cc(cc(Cl)c1O)[N+](=O)[O-],mutagenic -641-90-7,Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1O,mutagenic -2381-31-9,Cc1cccc2cc3c(ccc4ccccc34)cc12,mutagenic -24684-41-1,Cc1cc2CCCc2c3ccc4ccccc4c13,non-mutagenic -3060-89-7,CON(C)C(=O)Nc1ccc(Br)cc1,non-mutagenic -125579-40-0,CC(=O)c1cc(NC(=O)Nc2ccc(OCC(O)CNC(C)(C)C)c(c2)C(=O)C)ccc1OCC(O)CNC(C)(C)C,non-mutagenic -121-87-9,Nc1ccc(cc1Cl)[N+](=O)[O-],mutagenic -27093-62-5,Cn1c2ccc3ccccc3c2c4c5ccccc5ccc14,mutagenic -612-59-9,Clc1cnc2ccccc2c1,non-mutagenic -298-00-0,COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],mutagenic -7125-53-3,C1CCC2CC3(CCC2C1)CO3,non-mutagenic -71461-13-7,Oc1ccc(cc1)C2Oc3ccc4cc3C2C(=O)N5CCCCNCCCNC4CC(=O)NCCC5,mutagenic -932-53-6,Cc1nnc(O)nc1O,non-mutagenic -134959-57-2,Clc1ccc(COC(=O)c2cccc3cccnc23)c(Cl)c1,non-mutagenic -50-99-7,OCC(O)C(O)C(O)C(O)C=O,non-mutagenic -484-17-3,Oc1cc2ccccc2c3ccccc13,mutagenic -2855-13-2,CC1(C)CC(N)CC(C)(CN)C1,non-mutagenic -111-20-6,OC(=O)CCCCCCCCC(=O)O,non-mutagenic -137-09-7,Nc1ccc(O)c(N)c1,mutagenic -94470-50-5,OC1CCC(O)(CN(N=O)C(C(=O)O)C(=O)O)C(O)C1O,non-mutagenic -87480-50-0,OC1C(O)c2c(Br)c3ccccc3cc2c4ccccc14,non-mutagenic -91549-70-1,CN(C)CCNC(=O)c1ccc2nc3ccccc3c(N)c2c1,non-mutagenic -6285-68-3,Cc1ccc2[nH]c(N)nc2c1,mutagenic -60719-84-8,Nc1cc(cnc1O)c2ccncc2,non-mutagenic -309-00-2,ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H](C=C4)[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic -17096-47-8,CN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic -59230-81-8,Cc1c2ccccc2c(CBr)c3c1ccc4ccccc34,mutagenic -22349-59-3,Cc1ccc(C)c2c1ccc3ccccc23,mutagenic -105467-77-4,C1CCc2c(C1)ccc3nc4ccc5ccccc5c4cc23,mutagenic -NOCAS_M540,CC(=O)[C@@H](N=Nc1ccc(cc1Cl)c2ccc(N=N[C@H](C(=O)C)C(=O)Nc3ccccc3)c(Cl)c2)C(=O)Nc4ccccc4,non-mutagenic -18691-97-9,CNC(=O)N(C)c1nc2ccccc2s1,non-mutagenic -1728-32-1,COC1=CC=CC=CC1,mutagenic -25057-89-0,CC(C)N1C(=O)c2ccccc2NS1(=O)=O,non-mutagenic -74669-74-2,CC(CN=N#N)c1ccccc1,mutagenic -10159-53-2,NP(=O)(O)N(CCCl)CCCl,mutagenic -55610-00-9,O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24,mutagenic -6237-24-7,CN(C)CCCNc1c2ccccc2nc3cc(ccc13)[N+](=O)[O-],mutagenic -115066-03-0,CCc1cccc2c3CCOC(C)(CC)c3[nH]c12,non-mutagenic -529-20-4,Cc1ccccc1C=O,non-mutagenic -90-33-5,CC1=CC(=O)Oc2cc(O)ccc12,non-mutagenic -67-71-0,CS(=O)(=O)C,non-mutagenic -7090-25-7,CN(N=O)C(=O)Oc1cccc2ccccc12,mutagenic -51461-16-6,Cc1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1[N+](=O)[O-],mutagenic -28657-80-9,CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,mutagenic -6219-89-2,Cc1cc(N)ccc1c2ccc(O)cc2,mutagenic -134959-56-1,Clc1ccc(COC(=O)c2cccc3cccnc23)cc1,non-mutagenic -25148-26-9,Cc1c2ccccc2c(CCl)c3ccccc13,mutagenic -27975-19-5,C[C@@]12CCC3[C@@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=O)C2,non-mutagenic -5385-75-1,c1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic -143922-98-9,CC(=O)Nc1cccc(N=[N+]([O-])c2cccc(NC(=O)C)c2C)c1C,non-mutagenic -97136-66-8,Cc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic -619-15-8,Cc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -116-29-0,Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,non-mutagenic -105837-00-1,[O-][N+](=O)c1ccc2nc3ccc(cc3nc2c1)[N+](=O)[O-],mutagenic -506-77-4,ClC#N,non-mutagenic -214-17-5,c1ccc2cc3c(ccc4c5ccccc5ccc34)cc2c1,non-mutagenic -70140-82-8,CC(C)COP(=S)(OCC(C)C)SCCl,non-mutagenic -96918-17-1,[O-][N+](=O)c1oc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic -680-31-9,CN(C)P(=O)(N(C)C)N(C)C,non-mutagenic -88598-60-1,OC1C=Cc2cc3ccc4ccc(c5ccc(c2C1O)c3c45)[N+](=O)[O-],mutagenic -17573-21-6,Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic -623-15-4,CC(=O)\C=C\c1occc1,non-mutagenic -2489-77-2,CNC(=S)N(C)C,non-mutagenic -83621-06-1,C\C(=C(\OCCOc1ccc(Cl)cc1)/c2ccc(Cl)cc2Cl)\n3ccnc3,non-mutagenic -160637-30-9,Cc1ccc2c(C)c3ccc4C(O)C(O)C=Cc4c3nc2c1,mutagenic -84-61-7,O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,non-mutagenic -82389-37-5,O=C(C1OC1c2ccccc2)c3ccc(cc3)c4ccccc4,non-mutagenic -61166-05-0,Cn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],mutagenic -1818-71-9,Nc1nc(O)nc2c1ncn2C3OC(CO)C(O)C3O,non-mutagenic -612-60-2,Cc1ccc2cccnc2c1,mutagenic -104-03-0,OC(=O)Cc1ccc(cc1)[N+](=O)[O-],mutagenic -134523-00-5,CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CCC(O)CC(O)CC(=O)O,non-mutagenic -135086-96-3,CC(=O)Nc1ccc(\C=N\n2nnc3ccnc3c2O)cc1,mutagenic -NOCAS_M113,CC(=O)c1cc(NC(=O)N)ccc1OC[C@H](O)CNC(C)(C)C,mutagenic -111858-64-1,OC1COC(C(O)C1O)N(N=O)c2ccc(cc2)C(=O)O,mutagenic -56362-05-1,CCOP(=O)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-],non-mutagenic -1199-18-4,NCCc1cc(O)c(O)cc1O,mutagenic -122-59-8,OC(=O)COc1ccccc1,non-mutagenic -591-87-7,CC(=O)OCC=C,mutagenic -577-19-5,[O-][N+](=O)c1ccccc1Br,mutagenic -2212-67-1,CCSC(=O)N1CCCCCC1,non-mutagenic -21829-25-4,COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2[N+](=O)[O-])O,non-mutagenic -109875-45-8,Nc1nc(nc2c1ncn2C3CC(O)C(CO)O3)c4ccc(cc4)[N+](=O)[O-],mutagenic -874-86-2,ClCc1ccc(cc1)C#N,non-mutagenic -140-08-9,ClCCOP(OCCCl)OCCCl,mutagenic -90-94-8,CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,mutagenic -139953-76-7,Oc1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic -2118-39-0,Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)O)c5ccc(cc35)S(=O)(=O)O)c(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -301-12-2,CCS(=O)CCSP(=O)(OC)OC,mutagenic -2540-82-1,COP(=S)(OC)SCC(=O)N(C)C=O,non-mutagenic -520-36-5,Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,non-mutagenic -1975-52-6,Cc1ccc(cc1C(=O)O)[N+](=O)[O-],mutagenic -109897-79-2,OC1C=Cc2cc3cc(ccc3cc2C1O)[N+](=O)[O-],mutagenic -13306-69-9,COP(=S)(OC)Oc1ccc(N)c(C)c1,mutagenic -25590-58-3,C[CH-][N+](=O)[O-],non-mutagenic -97461-39-7,CC(C)(C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -123-11-5,COc1ccc(C=O)cc1,non-mutagenic -313-80-4,c1cc2ccc3ccnc4ccc(c1)c2c34,mutagenic -961-11-5,COP(=O)(OC)O\C(=C/Cl)\c1cc(Cl)c(Cl)cc1Cl,non-mutagenic -612-58-8,Cc1cnc2ccccc2c1,mutagenic -3544-23-8,COc1cc(ccc1N)N=Nc2ccccc2,mutagenic -881-03-8,Cc1ccc2ccccc2c1[N+](=O)[O-],mutagenic -52-51-7,OCC(Br)(CO)[N+](=O)[O-],non-mutagenic -6281-23-8,OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -90-00-6,CCc1ccccc1O,non-mutagenic -52559-52-1,CCc1cccc(CC)c1NC(=O)CO,mutagenic -90421-79-7,C(Oc1nsc2ccccc12)C3CO3,mutagenic -89213-87-6,CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO,non-mutagenic -503-30-0,C1COC1,mutagenic -50283-78-8,CCN(CC)CCNc1ccc(COC(=O)c2occc2)c3Sc4ccccc4C(=O)c13,mutagenic -78-88-6,ClCC(=C)Cl,mutagenic -87633-43-0,COCC1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34,mutagenic -NOCAS_M358,C[C@@H](CCN(C)C)N(C)C,non-mutagenic -53219-95-7,OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1,non-mutagenic -6164-98-3,CN(C)\C=N\c1ccc(Cl)cc1C,non-mutagenic -143922-95-6,Cc1c(cccc1[N+](=O)[O-])N=O,non-mutagenic -6271-79-0,Nc1ccc(cc1[N+](=O)[O-])c2ccc(N)c(c2)[N+](=O)[O-],mutagenic -57576-44-0,CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC,mutagenic -1455-77-2,Nc1n[nH]c(N)n1,non-mutagenic -581-29-3,Nc1ccc2cc3ccccc3nc2c1,mutagenic -14698-29-4,CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,mutagenic -135086-90-7,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(cc4)c5ccccc5,non-mutagenic -124-18-5,CCCCCCCCCC,non-mutagenic -6237-22-5,CN(C)CCCNc1c2ccccc2nc3ccc(cc13)[N+](=O)[O-],mutagenic -NOCAS_M71,COc1cc(N[C@H](C)CCCN)c2ncccc2c1,mutagenic -74550-97-3,O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN4CCOCC4,mutagenic -87-84-3,ClC1C(Br)C(Br)C(Br)C(Br)C1Br,non-mutagenic -4067-16-7,NCCNCCNCCNCCNCCN,mutagenic -502-44-3,O=C1CCCCCO1,non-mutagenic -108-43-0,Oc1cccc(Cl)c1,non-mutagenic -39834-38-3,Cc1c2C3OC3c4ccccc4c2c(C)c5ccccc15,mutagenic -73077-95-9,Oc1cc2OCOc2cc1N=O,mutagenic -103-85-5,NC(=S)Nc1ccccc1,non-mutagenic -1477-55-0,NCc1cccc(CN)c1,non-mutagenic -539-48-0,NCc1ccc(CN)cc1,non-mutagenic -122-40-7,CCCCC\C(=C\c1ccccc1)\C=O,non-mutagenic -80556-89-4,OCCN(CC(=O)O)N=O,mutagenic -129286-37-9,Fc1cccc2c3c(ccc12)c4cccc5cccc3c45,mutagenic -113-92-8,CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,non-mutagenic -65089-17-0,Cc1cccc(C)c1Nc2cc(Cl)nc(SCC(=O)NCCO)n2,non-mutagenic -1126-61-0,Oc1ccc(CC=C)cc1O,mutagenic -105-48-6,CC(C)OC(=O)CCl,non-mutagenic -2818-69-1,Cc1nc2cc(Cl)ccc2[nH]1,mutagenic -108-95-2,Oc1ccccc1,non-mutagenic -NOCAS_M489,CC[C@@H]([C@@H](C)O)[N+](=O)[O-],non-mutagenic -3296-90-0,OCC(CO)(CBr)CBr,mutagenic -6285-57-0,Nc1nc2ccc(cc2s1)[N+](=O)[O-],mutagenic -19387-91-8,CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],mutagenic -58152-03-7,CNC1C(O)C(CCC1(C)O)OC2C(O)C(OC3CC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN,non-mutagenic -36712-34-2,[O-][N+](=O)c1ccc(cc1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic -5857-92-1,Cc1ccc(cc1N)N=[N+]([O-])c2ccc(C)c(N)c2,mutagenic -874-89-5,OCc1ccc(cc1)C#N,non-mutagenic -104-90-5,CCc1ccc(C)nc1,non-mutagenic -60877-99-8,[O-][N+](=O)c1ccc(\C=N\c2snc3ccccc23)cc1,mutagenic -159092-70-3,[O-][N+](=O)c1ccc2c(c1)cc(c3ccccc23)[N+](=O)[O-],mutagenic -477-84-9,COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12,non-mutagenic -102-96-5,[O-][N+](=O)\C=C\c1ccccc1,mutagenic -2244-16-8,CC(=C)[C@@H]1CC=C(C)C(=O)C1,non-mutagenic -522-40-7,CC\C(=C(\CC)/c1ccc(OP(=O)(O)O)cc1)\c2ccc(OP(=O)(O)O)cc2,non-mutagenic -568-75-2,Cc1c2ccccc2c(CO)c3ccc4ccccc4c13,mutagenic -163275-57-8,Fc1cnc2c(ccc3ccccc23)c1,non-mutagenic -1874-12-0,CCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -114480-41-0,CC(=O)Nc1nc2c3cccnc3cc(C)c2n1C,mutagenic -96-23-1,OC(CCl)CCl,mutagenic -100490-36-6,NC1CCN(C1)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,mutagenic -5002-47-1,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic -141-75-3,CCCC(=O)Cl,mutagenic -1456-55-9,COc1c(Cl)cc2c(N(C)C3N4C(=O)C5(C)SSC4(C(O)C23O)C(=O)N5C)c1OC,non-mutagenic -1928-43-4,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic -2349-67-9,Nc1nnc(S)s1,non-mutagenic -70634-28-5,CC(C)(C)c1cc(ccc1[N+](=O)[O-])c2ccccc2,non-mutagenic -83-07-8,CN1N(C(=O)C(=C1C)N)c2ccccc2,non-mutagenic -302-17-0,OC(O)C(Cl)(Cl)Cl,mutagenic -73-31-4,COc1ccc2[nH]cc(CCNC(=O)C)c2c1,non-mutagenic -60599-38-4,CC(=O)CN(CC(=O)C)N=O,mutagenic -126371-00-4,[O-][N+](=O)c1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic -91991-19-4,ClCC(=O)Nc1snc2ccc(Cl)cc12,mutagenic -60-56-0,Cn1ccnc1S,non-mutagenic -120302-30-9,OCCc1c[nH]c2cc(ccc12)[N+](=O)[O-],mutagenic -110-65-6,OCC#CCO,non-mutagenic -501-52-0,OC(=O)CCc1ccccc1,non-mutagenic -86674-51-3,O=Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic -90866-04-9,Cc1ccc(NCC2(O)OCC(O)C(O)C2O)cc1,non-mutagenic -10595-95-6,CCN(C)N=O,mutagenic -141-04-8,CC(C)COC(=O)CCCCC(=O)OCC(C)C,non-mutagenic -65-86-1,OC(=O)c1cc(O)nc(O)n1,non-mutagenic -NOCAS_M70,C(CCOC[C@H]1CO1)COC[C@H]2CO2,mutagenic -148193-34-4,COc1nsc2ccc(OCC3CO3)cc12,mutagenic -16301-26-1,CCN=[N+]([O-])CC,non-mutagenic -91991-21-8,CCCC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic -98-15-7,FC(F)(F)c1cccc(Cl)c1,non-mutagenic -155379-81-0,CC(C)c1cc(N)cc(c1N)[N+](=O)[O-],non-mutagenic -121-90-4,[O-][N+](=O)c1cccc(c1)C(=O)Cl,mutagenic -607-91-0,COc1cc(CC=C)cc2OCOc12,non-mutagenic -57491-68-6,Nc1ccccc1SCSc2ccccc2N,mutagenic -16219-98-0,CN(N=O)c1ccccn1,mutagenic -6344-66-7,Nc1ccc2Cc3ccccc3c2c1,mutagenic -136587-13-8,NCCCNCCCCN(CCCN)N(O)N=O,mutagenic -4003-94-5,[O-][N+](=O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic -513-37-1,CC(=CCl)C,mutagenic -78914-74-6,CN(C)c1ccc(cc1)N=Nc2ccccc2COC(=O)C,mutagenic -462-95-3,CCOCOCC,non-mutagenic -NOCAS_M366,C[C@@H]1CC[C@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@H]5CC=C6C[C@H](CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]7O)N2C1,non-mutagenic -59865-13-3,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,non-mutagenic -101-02-0,O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,non-mutagenic -123-28-4,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,non-mutagenic -92-55-7,CC(=O)OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-],mutagenic -2160-93-2,CC(C)(C)N(CCO)CCO,non-mutagenic -199536-64-6,OC1OC(=O)C(=C1CBr)Br,mutagenic -220168-41-2,COc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -85-60-9,CCCC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C,non-mutagenic -120693-41-6,CCc1c2ccccc2cc3c4C5OC5C(O)C(O)c4ccc13,mutagenic -125-33-7,CCC1(C(=O)NCNC1=O)c2ccccc2,mutagenic -138835-34-4,[O-][N+](=O)c1ccc2ccc3c4ccccc4[n+]([O-])c5ccc1c2c35,mutagenic -89786-04-9,CC1(Cn2ccnn2)C(N3C(CC3=O)S1(=O)=O)C(=O)O,non-mutagenic -13603-07-1,C[C@H]1CCCN(C1)N=O,mutagenic -1947-37-1,CSCCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,non-mutagenic -637-92-3,CCOC(C)(C)C,non-mutagenic -33372-39-3,OCCN(CCO)c1nc(nc2ccccc12)c3ccc(s3)[N+](=O)[O-],mutagenic -103-80-0,ClC(=O)Cc1ccccc1,mutagenic -101901-08-0,CCC1(CC(=O)O)OCCc2c1[nH]c3c(cccc23)C(C)O,non-mutagenic -70-11-1,BrCC(=O)c1ccccc1,non-mutagenic -54755-21-4,Cc1ccc2cccc(c2c1)[N+](=O)[O-],mutagenic -611-22-3,Cc1ccccc1NO,mutagenic -1135-24-6,COc1cc(\C=C\C(=O)O)ccc1O,non-mutagenic -21416-67-1,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,non-mutagenic -77996-03-3,CN1c2ccccc2C(=O)c3c(O)cc4OC(Cc4c13)C5(C)CO5,mutagenic -112575-91-4,O=C1C=C2c3cc4ccccc4cc3c5cccc(C1=O)c25,mutagenic -57-63-6,CC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C,non-mutagenic -75-83-2,CCC(C)(C)C,non-mutagenic -213-46-7,c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34,mutagenic -159092-76-9,[O-][N+](=O)c1cccc2c1cc(c3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic -NOCAS_M21,C[C@@H](O)CN(C[C@H](O)CO)N=O,mutagenic -7779-77-3,CC(C)COC(=O)c1ccccc1N,non-mutagenic -357204-49-0,COc1cccc(c1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -509-93-3,CC1CCC2C(OC(=O)C2=C)C3(C)C1C=CC3=O,non-mutagenic -70021-98-6,[O-][N+](=O)c1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic -139347-89-0,Cc1c(C)c2c3C4OC4C(O)C(O)c3ccc2c5ccccc15,mutagenic -120812-48-8,[O-][N+](=O)c1ccc2c3ccccc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic -23434-96-0,COC(=O)C(N)Cc1ccc(Cl)cc1,non-mutagenic -NOCAS_M290,N1[C@@H]2[C@H]1c3c(c4ccccc24)c5ccccc5c6ccccc36,mutagenic -61434-48-8,COc1cc2C(=O)c3ccccc3C(=O)c2c(OC)c1CO,non-mutagenic -114460-39-8,Cc1nc2ccc3ccc4ccc(O)cc4c3c2n1C,mutagenic -42924-53-8,COc1ccc2cc(CCC(=O)C)ccc2c1,non-mutagenic -16156-53-9,CC(C)COS(=O)(=O)C,mutagenic -528-45-0,OC(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -89784-39-4,CC(=O)N[C@@H](CS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl)C(=O)O,mutagenic -2381-21-7,Cc1ccc2ccc3cccc4ccc1c2c34,mutagenic -4164-28-7,CN(C)[N+](=O)[O-],mutagenic -101-14-4,Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,mutagenic -88847-41-0,OC1C2OC2c3c(ccc4c3ccc5ccc(O)cc45)C1O,mutagenic -153117-10-3,CCCCN(CC(CO)OCc1ccccc1)N=O,mutagenic -146795-29-1,Cc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic -64920-31-6,O[C@@H]1C=Cc2c(ccc3c2ccc4ccccc34)[C@H]1O,mutagenic -2892-51-5,OC1=C(O)C(=O)C1=O,non-mutagenic -107534-94-1,C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCc5ccc(cc5)N(CCCl)CCCl,mutagenic -20846-00-8,CC(=[N+]([O-])[O-])C,mutagenic -60883-97-8,Cc1ccc(cc1)S(=O)(=O)N2C3C2c4ccccc4c5ccccc35,mutagenic -4637-56-3,ONc1cc[n+]([O-])c2ccccc12,mutagenic -138580-46-8,CC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc3c2C1=O,mutagenic -159092-72-5,[O-][N+](=O)c1ccc2ccc3cccc(c3c2c1)[N+](=O)[O-],mutagenic -510-15-6,CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,non-mutagenic -109380-31-6,CCOC(=O)C(C#N)c1snc2c(cccc12)[N+](=O)[O-],mutagenic -66789-80-8,OC(=O)CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic -4251-89-2,CCN(CCCl)CCCNc1c2ccccc2nc3c1ccc4ccccc34,mutagenic -1194-65-6,Clc1cccc(Cl)c1C#N,non-mutagenic -57835-92-4,[O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23,mutagenic -65445-60-5,Cl[C@H]1CCCN(C1)N=O,mutagenic -30489-67-9,Cn1c(N)nc2cc3ccccc3cc12,mutagenic -192705-54-7,CC(=O)Nc1ccc2c3cc(O)ccc3c4cccc1c24,mutagenic -13195-64-7,CC(C)OC(=O)CC(=O)OC(C)C,non-mutagenic -1193-24-4,Oc1cc(O)ncn1,non-mutagenic -84434-45-7,Cc1ccccc1N=Nc2ccc(N)c(C)c2N,mutagenic -35203-91-9,NS(=O)(=O)c1cccc2cccnc12,non-mutagenic -349-95-1,OCc1ccc(cc1)C(F)(F)F,non-mutagenic -634-90-2,Clc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic -6112-76-1,Sc1[nH]cnc2ncnc12,mutagenic -139627-44-4,Cc1cccc2c1cc(C)c3c4C5OC5C(O)C(O)c4ccc23,mutagenic -645-00-1,[O-][N+](=O)c1cccc(I)c1,non-mutagenic -120-61-6,COC(=O)c1ccc(cc1)C(=O)OC,non-mutagenic -20970-16-5,NNc1nncc2ncccc12,mutagenic -860-22-0,Oc1c([nH]c2ccc(cc12)S(=O)(=O)O)C3=Nc4ccc(cc4C3=O)S(=O)(=O)O,non-mutagenic -56413-75-3,NNc1ccccc1[N+](=O)[O-],mutagenic -87-60-5,Cc1c(N)cccc1Cl,non-mutagenic -107-87-9,CCCC(=O)C,non-mutagenic -160543-02-2,Cc1c2ccc3ccccc3c2nc4ccc(CO)cc14,mutagenic -1195-92-2,CC(=C)C1CCC2(C)OC2C1,non-mutagenic -51-12-7,O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,mutagenic -134874-62-7,[O-][N+](=O)c1cc(c2c3ccccc3c4cccc5ccc1c2c45)[N+](=O)[O-],mutagenic -120-58-1,C\C=C\c1ccc2OCOc2c1,non-mutagenic -80984-67-4,N1C2C1c3cc4c(cc3c5ccccc25)C6NC6c7ccccc47,mutagenic -80-56-8,CC1=CC[C@H]2C[C@@H]1C2(C)C,non-mutagenic -119143-41-8,OC1C=Cc2ccc3ncccc3c2C1O,non-mutagenic -18708-70-8,[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,non-mutagenic -16069-36-6,C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1,non-mutagenic -136911-37-0,CN1CCN=N1,mutagenic -5332-73-0,COCCCN,non-mutagenic -612-62-4,Clc1ccc2ccccc2n1,non-mutagenic -105777-13-7,OC1C=CC2=C(C1O)c3cccc4cccc2c34,mutagenic -67019-21-0,CCCC(=O)Nc1snc2ccccc12,non-mutagenic -5989-27-5,CC(=C)[C@H]1CCC(=CC1)C,non-mutagenic -134-81-6,O=C(C(=O)c1ccccc1)c2ccccc2,non-mutagenic -13177-27-0,Nc1cccc2c3cccc4cccc(c12)c34,mutagenic -139259-96-4,CC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c2ccccc2,mutagenic -120-23-0,OC(=O)COc1ccc2ccccc2c1,non-mutagenic -2177-18-6,C=COC(=O)C=C,non-mutagenic -119-64-2,C1CCc2ccccc2C1,non-mutagenic -7235-40-7,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C,mutagenic -24602-86-6,CCCCCCCCCCCCCN1CC(C)OC(C)C1,non-mutagenic -580-19-8,Nc1ccc2cccnc2c1,mutagenic -772-43-0,N\C(=N/O)\c1oc(cc1)[N+](=O)[O-],mutagenic -191-24-2,c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,mutagenic -126831-76-3,BrCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic -106-94-5,CCCBr,non-mutagenic -61-57-4,[O-][N+](=O)c1cnc(s1)N2CCNC2=O,mutagenic -633-96-5,Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O,non-mutagenic -NOCAS_M587,CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC,non-mutagenic -141-43-5,NCCO,non-mutagenic -143-27-1,CCCCCCCCCCCCCCCCN,non-mutagenic -16169-17-8,ONc1ccccc1c2ccccc2,mutagenic -125239-65-8,COc1cc2nc3cc(N)ccc3nc2cc1N,mutagenic -16757-82-7,Cc1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic -50474-48-1,ONc1ncnc2c1ncn2Cc3ccccc3,mutagenic -141890-75-7,Nc1nc2c(ccc3ncccc23)s1,mutagenic -220168-56-9,CC(C)(C)c1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -125276-71-3,OC1C2OC2c3c(ccc4nc5c(ccc6ccccc56)cc34)C1O,non-mutagenic -476-57-3,COc1cc(O)c2C(=O)c3c(O)cc(C)c(O)c3C(=O)c2c1,mutagenic -84-75-3,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,non-mutagenic -3351-31-3,Cc1ccc2ccc3c4ccccc4ccc3c2c1,mutagenic -113163-22-7,OC1C2OC2c3c(ccc4cccnc34)C1O,mutagenic -126572-78-9,OC\C(=C(\Cl)/C(=O)O)\C(Cl)Cl,mutagenic -51-18-3,C1CN1c2nc(nc(n2)N3CC3)N4CC4,mutagenic -146795-48-4,CN(C(=O)c1csc(c1)[N+](=O)[O-])c2ccccc2,mutagenic -111-14-8,CCCCCCC(=O)O,non-mutagenic -3468-63-1,Oc1ccc2ccccc2c1N=Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],mutagenic -102421-85-2,OC1=C(O)C23CCCCC2(O3)c4cc5ccc6ccccc6c5nc14,non-mutagenic -90-46-0,OC1c2ccccc2Oc3ccccc13,mutagenic -25953-06-4,CCN(CC)c1ccc(N=O)c(O)c1,non-mutagenic -64099-25-8,COc1nsc2c(cccc12)[N+](=O)[O-],mutagenic -115688-97-6,CN1CCC=C2C1CCc3sc(N)nc23,mutagenic -NOCAS_M487,CC(C)(N)[C@@H]1CC[C@](C)(N)CC1,non-mutagenic -132742-03-1,[O-][N+](=O)c1ccc2ccc3cc4CCC=Cc4c5ccc1c2c35,mutagenic -29964-84-9,CC(C)CCCCCCCOC(=O)C(=C)C,non-mutagenic -129-03-3,CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,non-mutagenic -99-57-0,Nc1cc(ccc1O)[N+](=O)[O-],mutagenic -106626-55-5,CN(C)CCNC(=O)c1cccc2nc3ccccc3cc12,mutagenic -75-12-7,NC=O,non-mutagenic -3025-42-1,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic -52-52-8,NC1(CCCC1)C(=O)O,non-mutagenic -207-08-9,c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,mutagenic -5737-13-3,O=C1c2cccc3ccc4cccc1c4c23,mutagenic -19727-83-4,[O-][N+](=O)c1ccc2CCNc2c1,mutagenic -135086-94-1,COc1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic -109-99-9,C1CCOC1,non-mutagenic -72755-25-0,CC1C(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC(=O)C1=C)C23,non-mutagenic -104226-21-3,Cc1cc(ccc1N=Nc2ccc(N)cc2)N(CCO)CCO,non-mutagenic -99-73-0,BrCC(=O)c1ccc(Br)cc1,non-mutagenic -99523-61-2,CCCC(=O)Nc1snc2ccc(C)cc12,non-mutagenic -33956-49-9,C\C=C\C=C\CCCCCCCO,non-mutagenic -111712-48-2,CC(C)(Br)C(Br)COP(=O)(OCC(Br)C(C)(C)Br)OCC(Br)C(C)(C)Br,non-mutagenic -62966-21-6,CC(=O)CC(=O)\C=C\C(=O)O,non-mutagenic -19900-72-2,CCc1cc(Cc2cc(C)c(N)c(CC)c2)cc(C)c1N,non-mutagenic -NOCAS_M267,CC(=C[C@H]1[C@H](C(=O)O[C@@H]2CC(=O)C(=C2C)CC=C)C1(C)C)C,mutagenic -95-50-1,Clc1ccccc1Cl,non-mutagenic -94-62-2,O=C(\C=C\C=C\c1ccc2OCOc2c1)N3CCCCC3,non-mutagenic -67019-19-6,ClCC(=O)Nc1snc2ccccc12,mutagenic -107-99-3,CN(C)CCCl,mutagenic -109-77-3,N#CCC#N,non-mutagenic -99585-29-2,Oc1cccc2Cc3cc(ccc3c12)[N+](=O)[O-],mutagenic -3671-71-4,ON(C(=O)c1ccccc1)c2ccc3c(Cc4ccccc34)c2,mutagenic -111-46-6,OCCOCCO,non-mutagenic -64-77-7,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,non-mutagenic -462-06-6,Fc1ccccc1,mutagenic -2371-42-8,CC1(C)C2CCC1(C)C(C)(O)C2,non-mutagenic -115781-40-3,Cc1cnc2ccc3c(nc(NS(=O)(=O)O)n3C)c2n1,non-mutagenic -4074-88-8,C=CC(=O)OCCOCCOC(=O)C=C,non-mutagenic -122-97-4,OCCCc1ccccc1,non-mutagenic -70249-46-6,OCc1ccc2c3ccccc3c4cccc1c24,non-mutagenic -610-88-8,CCC(C)C1NC(=O)C(=C1O)C(=O)C,non-mutagenic -16757-80-5,Cc1cc2cccc3ccc4cc5ccccc5c1c4c23,mutagenic -759-94-4,CCCN(CCC)C(=O)SCC,non-mutagenic -684-93-5,CN(N=O)C(=O)N,mutagenic -NOCAS_M142,C=CC(=O)N(C[C@H]1CO1)C[C@H]2CO2,mutagenic -NOCAS_M285,C[C@@H]1CNC[C@@H](C)O1,mutagenic -100-47-0,N#Cc1ccccc1,non-mutagenic -106636-50-4,Cc1ccc(cc1)c2nc3SCCn3c2[N+](=O)[O-],mutagenic -159092-78-1,[O-][N+](=O)c1ccc2c(cc3c(cccc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -123-30-8,Nc1ccc(O)cc1,non-mutagenic -104-83-6,ClCc1ccc(Cl)cc1,non-mutagenic -79455-30-4,CC(CNC(=O)c1cccnc1)NC(=O)c2cccnc2,non-mutagenic -1070-11-7,CC[C@H](CO)NCCN[C@H](CC)CO,non-mutagenic -7467-29-0,Cc1ccccc1N=Nc2cc(C)c(N)cc2N,mutagenic -122-19-0,CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,non-mutagenic -36508-80-2,CN1C(CCC1=O)c2ccc[n+]([O-])c2,non-mutagenic -2997-92-4,CC(C)(N=NC(C)(C)C(=N)N)C(=N)N,mutagenic -155164-66-2,ClC1=C(Cl)C(=O)N(N=C1)C(=O)c2ccccc2,non-mutagenic -2608-48-2,[O-][N+](=O)c1ccc(\C=C\C=C\C=O)cc1,mutagenic -880-93-3,Cc1ccc(c2ccccc12)[N+](=O)[O-],mutagenic -93-15-2,COc1ccc(CC=C)cc1OC,non-mutagenic -23045-35-4,Nc1c2ccccc2nc3ccc(cc13)[N+](=O)[O-],mutagenic -86-73-7,C1c2ccccc2c3ccccc13,non-mutagenic -151455-09-3,COc1cc(OC)c2cc(c3c(cc4OCOc4c3c2c1)C(=O)O)[N+](=O)[O-],non-mutagenic -2782-57-2,Oc1nc(Cl)nc(Cl)n1,non-mutagenic -22338-69-8,CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4O)C(=O)O,non-mutagenic -28564-83-2,CC1=C(O)C(=O)C(O)CO1,mutagenic -95-78-3,Cc1ccc(C)c(N)c1,mutagenic -13558-31-1,Nc1ccc2c(c3ccccc3C(=O)O)c4ccc(N)cc4[o+]c2c1,non-mutagenic -38914-96-4,ClCCNCCCNc1c2ccccc2nc3ccccc13,mutagenic -155164-57-1,ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccccc2,non-mutagenic -74407-28-6,CSCC(NC(=O)C(C)(C)SC)C(=O)O,non-mutagenic -68688-87-9,Cc1ccc2cc3c4C=C[C@@H](O)[C@H](O)c4ccc3c5CCc1c25,mutagenic -77121-90-5,COC1C(N)CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC1C,mutagenic -33069-62-4,CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C,non-mutagenic -35212-22-7,CC(C)Oc1ccc2C(=O)C(=COc2c1)c3ccccc3,non-mutagenic -16156-54-0,CCC(C)OS(=O)(=O)C,mutagenic -594-42-3,ClSC(Cl)(Cl)Cl,mutagenic -581-47-5,c1ccc(nc1)c2ccncc2,mutagenic -94-36-0,O=C(OOC(=O)c1ccccc1)c2ccccc2,non-mutagenic -99-61-6,[O-][N+](=O)c1cccc(C=O)c1,mutagenic -98-51-1,Cc1ccc(cc1)C(C)(C)C,non-mutagenic -NOCAS_M237,C[C@@H]1CCCCN1CCCNCC(=O)Nc2c(C(=O)c3ccccc3F)c(C)nn2C,mutagenic -64-86-8,COC1=CC=C2C(=CC1=O)[C@@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,non-mutagenic -70403-81-5,COc1ccc2c(c1)C(=O)c3nccc4cc(OC)c(OC)c2c34,mutagenic -52517-34-7,CN1CC(CBr)CC2C1Cc3c[nH]c4cccc2c34,mutagenic -81316-80-5,[O-][N+](=O)c1ccc2c3cc4ccccc4cc3c5cccc1c25,mutagenic -145531-24-4,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccc(cc24)N=N#N,mutagenic -NOCAS_M273,C[C@@H](O)c1cc2ccc3cccc4ccc(c1)c2c34,mutagenic -839-90-7,OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,non-mutagenic -78-95-5,CC(=O)CCl,non-mutagenic -101-20-2,Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,non-mutagenic -99-08-1,Cc1cccc(c1)[N+](=O)[O-],non-mutagenic -50-48-6,CN(C)CCC=C1c2ccccc2CCc3ccccc13,non-mutagenic -105836-99-5,[O-][N+](=O)c1ccc2nc3c(cccc3nc2c1)[N+](=O)[O-],mutagenic -199536-62-4,BrCC1=C(Br)C(=O)OC1,mutagenic -98046-73-2,ONc1cnc2c(c1)nc3ccccn23,mutagenic -38514-71-5,Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic -16529-56-9,CC(C=C)C#N,non-mutagenic -72-48-0,Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -111574-85-7,N[C@@H](CCC(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic -17423-48-2,Nc1cccc2ccc3ccccc3c12,non-mutagenic -523-44-4,Oc1ccc(N=Nc2ccc(cc2)S(=O)(=O)O)c3ccccc13,non-mutagenic -303-34-4,CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)\C(=C/C)\C)[C@@H]12)C(C)(C)O,mutagenic -92072-09-8,[O-][N+](=O)c1ccc2c3cccc4ccc(c(c5cccc1c25)c34)[N+](=O)[O-],mutagenic -118174-26-8,CC(C)(C)OC(=O)N\N=C\C1=CN(O)c2ccccc2N1O,mutagenic -119-47-1,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,non-mutagenic -95933-72-5,N\C(=N/O)\c1ccc(O)c(O)c1,mutagenic -81-77-6,Oc1c2ccccc2c(O)c3c1ccc4nc5c6C(=O)c7ccccc7C(=O)c6ccc5nc34,non-mutagenic -6375-16-2,CC(=O)Nc1ccc(C)c(N)c1,mutagenic -130536-46-8,C1Cc2cccnc2C3OC13,non-mutagenic -70140-81-7,CCOP(=S)(OCC(C)C)SCCl,non-mutagenic -1071-83-6,OC(=O)CNCP(=O)(O)O,non-mutagenic -1126-76-7,C(Cc1ccccc1)C2CO2,mutagenic -99-94-5,Cc1ccc(cc1)C(=O)O,non-mutagenic -50935-04-1,CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C,mutagenic -108963-23-1,ClCCC(Br)CBr,non-mutagenic -64432-06-0,CC1OC(OC2C(O)C(O)C(CO)OC2OC34CCC5C6(C)CCCC(C)(C6CCC5(CC3=C)C4)C(=O)OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C1O,non-mutagenic -68162-38-9,COC(=O)\C(=C\c1oc(Br)cc1)\[N+](=O)[O-],non-mutagenic -3420-97-1,CCOc1ccc(cc1)N=O,mutagenic -128879-32-3,CN(C)CCN1C=CN(C)C1\C=N\O,non-mutagenic -NOCAS_M300,ClC[C@H](Cl)CBr,mutagenic -585-71-7,CC(Br)c1ccccc1,non-mutagenic -89-98-5,Clc1ccccc1C=O,non-mutagenic -55090-44-3,CCCCCCCCCCCCN(C)N=O,mutagenic -18434-08-7,CCCCCCC(CCCC)COc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(OCC(CCCC)CCCCCC)cc4,non-mutagenic -119-32-4,Cc1ccc(N)cc1[N+](=O)[O-],mutagenic -NOCAS_M268,ClC[C@H]1CO1,mutagenic -1326-03-0,CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccccc4C(=O)O,non-mutagenic -150366-18-0,COCC1CN(C(=O)O1)c2ccc3nc(sc3c2)C(O)CCC#N,non-mutagenic -80-63-7,COC(=O)C(=C)Cl,mutagenic -24954-53-8,CNC(=O)ON(C(=O)NC)C(=O)NC,non-mutagenic -133740-20-2,COc1cc(O)c2c(O)c3C(=O)OC(=Cc3c(OC)c2c1)C,mutagenic -2564-83-2,CC1(C)CCCC(C)(C)N1O,non-mutagenic -119143-42-9,C1Cc2c(ccc3ncccc23)C4OC14,non-mutagenic -789-47-9,Nc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic -111-76-2,CCCCOCCO,non-mutagenic -103124-59-0,CCOC(=O)C(=NNc1ccc(cc1OC)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(OC)c2)C(=O)OCC,non-mutagenic -1248-18-6,Oc1ccc2ccccc2c1N=Nc3ccc4ccccc4c3S(=O)(=O)O,non-mutagenic -86-59-9,OC(=O)c1cccc2cccnc12,non-mutagenic -83-95-4,COc1ccc2c(OC)c3CCOc3nc2c1OC,mutagenic -303-45-7,CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O,non-mutagenic -41934-47-8,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,non-mutagenic -192705-53-6,CC(=O)Nc1ccc2c3ccc(O)cc3c4cccc1c24,mutagenic -106636-49-1,[O-][N+](=O)c1c(nc2SCCn12)c3ccc(Cl)cc3,mutagenic -34801-16-6,Nc1nc(cs1)c2ccc(s2)[N+](=O)[O-],mutagenic -66-97-7,O=C1Oc2cc3occc3cc2C=C1,non-mutagenic -122587-22-8,COC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-],mutagenic -14064-55-2,[O-][N+](=O)c1ccc(\C=C\c2ccc(Cl)cc2)cc1,mutagenic -NOCAS_M110,COC(=O)[C@]12O[C@@]1(C)[C@@](C)(O)OC2=O,mutagenic -924-16-3,CCCCN(CCCC)N=O,mutagenic -74494-65-8,COc1cc(O)c2C(=O)c3c(OC)cc4OC5OCCC5c4c3Oc2c1OC,non-mutagenic -9005-65-6,CCCCCCCC\C=C\CCCCCCCC(=O)OCCOCC1(OCCOC)OCC(OCCOC)C1OCCOC,non-mutagenic -101-61-1,CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,mutagenic -584-48-5,[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-],mutagenic -32861-85-1,COc1cc(Oc2ccc(Cl)cc2Cl)cc(c1)[N+](=O)[O-],non-mutagenic -2185-92-4,Nc1ccccc1c2ccccc2,mutagenic -622-96-8,CCc1ccc(C)cc1,non-mutagenic -188970-83-4,Oc1cccc2c1c(cc3[nH]c4ccc5ccccc5c4c23)[N+](=O)[O-],mutagenic -163275-61-4,Fc1ccc2ccc3cccnc3c2c1,mutagenic -145627-68-5,OC1C=Cc2c(ccc3c4CCCc4ccc23)C1O,mutagenic -106323-85-7,[O-][N+](=O)c1ccc(c2ccc(c(c2)[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic -NOCAS_M64,CC(=C[C@H]1[C@H](C(=O)OCc2oc(CC#C)cc2)C1(C)C)C,mutagenic -133762-81-9,Nc1nc(Cl)c2ncn(CC(O)CN=N#N)c2n1,mutagenic -86-95-3,Oc1cc(O)c2ccccc2n1,mutagenic -102-07-8,O=C(Nc1ccccc1)Nc2ccccc2,non-mutagenic -39860-12-3,Cc1ccc2c(c1)nc(N)n2C,mutagenic -121-39-1,CCOC(=O)[C@@H]1O[C@H]1c2ccccc2,non-mutagenic -79-08-3,OC(=O)CBr,mutagenic -158729-29-4,Clc1cc(Cl)cc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic -109-78-4,OCCC#N,non-mutagenic -159092-67-8,[O-][N+](=O)c1ccc2ccc3c(cccc3c2c1)[N+](=O)[O-],mutagenic -79-44-7,CN(C)C(=O)Cl,mutagenic -166546-19-6,CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl,non-mutagenic -52-86-8,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,non-mutagenic -70458-92-3,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,mutagenic -18636-89-0,[O-][n+]1cc2ccccc2cn1,non-mutagenic -77-65-6,CCC(Br)(CC)C(=O)NC(=O)N,non-mutagenic -69658-14-6,CCOC(=O)CSc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic -NOCAS_M33,CC(=O)Nc1ccc(cc1)[C@H]2O[C@H]2C(=O)c3ccccc3,mutagenic -61734-88-1,CCN(CCCO)N=O,mutagenic -133762-86-4,NC1=NC(=O)N(CC(O)CN=N#N)C=C1,mutagenic -25013-15-4,Cc1ccc(C=C)cc1,non-mutagenic -108893-54-5,CC(=O)OC1C2CC(C)(C)CC2=C(C=O)C3(CC13C)C=O,non-mutagenic -3989-90-0,[O-][N+](=O)c1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic -7704-40-7,Nc1ccc2nc3ccc(N)cc3nc2c1,mutagenic -NOCAS_M79,C[C@@H]1c2ccccc2c3ccc(C)cc13,mutagenic -26946-33-8,Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic -53-86-1,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,non-mutagenic -69533-68-2,[O-][N+](=O)c1ccc2c(CCc3cc(ccc23)[N+](=O)[O-])c1,mutagenic -150446-04-1,Cc1c(Cn2ccnc2)c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],mutagenic -146795-45-1,[O-][N+](=O)c1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic -627-18-9,OCCCBr,mutagenic -2210-28-8,CCCOC(=O)C(=C)C,non-mutagenic -105467-67-2,Oc1cccc2c1ccc3nc4ccc5ccccc5c4cc23,non-mutagenic -NOCAS_M390,CCCC[C@@H](CC)COP(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC,non-mutagenic -117929-12-1,[O-][N+](=O)c1cc2CCc3cc(cc4ccc(c1)c2c34)[N+](=O)[O-],mutagenic -80-46-6,CCC(C)(C)c1ccc(O)cc1,non-mutagenic -127-18-4,ClC(=C(Cl)Cl)Cl,non-mutagenic -114717-14-5,NC(Cn1ccnc1)C(=O)O,mutagenic -28108-99-8,CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic -37574-47-3,O1C2C1c3cc4ccccc4c5ccc6cccc2c6c35,mutagenic -779-02-2,Cc1c2ccccc2cc3ccccc13,mutagenic -109-43-3,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,non-mutagenic -50648-96-9,CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic -35281-34-6,C1Cc2ccc3cc4CCCc5ccc6cc(C1)c2c3c6c45,mutagenic -27113-22-0,CCCCCCCC(=O)CCc1ccc(O)c(OC)c1,non-mutagenic -3311-98-6,[O-][N+](=O)c1cnc(NC(=O)NCCCl)s1,mutagenic -84-64-0,CCCCOC(=O)c1ccccc1C(=O)OC2CCCCC2,non-mutagenic -114460-41-2,CCc1nc2c(ccc3ccc4ccc(O)cc4c23)[nH]1,mutagenic -88-95-9,ClC(=O)c1ccccc1C(=O)Cl,mutagenic -19655-56-2,CCc1cccc2cccnc12,mutagenic -330-54-1,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,mutagenic -95-74-9,Cc1ccc(N)cc1Cl,mutagenic -602-87-9,[O-][N+](=O)c1ccc2CCc3cccc1c23,mutagenic -952-23-8,Nc1ccc2cc3ccc(N)cc3nc2c1,mutagenic -24143-08-6,CC(=O)NC1=NC(=NOC1)c2oc(cc2)[N+](=O)[O-],mutagenic -2255-50-7,COc1c2ccoc2nc3c(O)cccc13,mutagenic -75453-80-4,OC1C=CC=CC1O,mutagenic -599-64-4,CC(C)(c1ccccc1)c2ccc(O)cc2,non-mutagenic -138835-36-6,[O-][N+](=O)c1ccc2ccc3c4ccccc4nc5ccc1c2c35,mutagenic -130-26-7,Oc1c(I)cc(Cl)c2cccnc12,non-mutagenic -1513-65-1,Fc1cccc(F)n1,non-mutagenic -149022-16-2,Cc1nccc2c3ccc(O)cc3[nH]c12,mutagenic -59-50-7,Cc1cc(O)ccc1Cl,non-mutagenic -61734-90-5,CCCCN(CC(=O)CC)N=O,mutagenic -92-88-6,Oc1ccc(cc1)c2ccc(O)cc2,non-mutagenic -7144-65-2,C(Oc1ccccc1c2ccccc2)C3CO3,mutagenic -24280-93-1,COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O,mutagenic -873-75-6,OCc1ccc(Br)cc1,non-mutagenic -54292-59-0,OCCN(CCO)c1ccc(cc1)N=Nc2cccnc2,non-mutagenic -129541-01-1,COC(=O)CNC(=O)C(CSCCCl)NC(=O)CCC(N)C(=O)O,mutagenic -86-40-8,C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,mutagenic -98033-24-0,Cc1oc2c(ccc3ccc4ccc(O)cc4c23)n1,mutagenic -72848-48-7,[O-][N+](=O)c1ccc2nc3cc(ccc3nc2c1)[N+](=O)[O-],mutagenic -83504-80-7,O=Nc1ccc(Sc2ccccc2)cc1,mutagenic -92-24-0,c1ccc2cc3cc4ccccc4cc3cc2c1,mutagenic -115-77-5,OCC(CO)(CO)CO,non-mutagenic -63166-73-4,CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(OC(=O)C)C7O,non-mutagenic -108-11-2,CC(C)CC(C)O,non-mutagenic -126420-95-9,Cc1cc(C)c(CN2C3C2c4ccccc4c5ccccc35)c(C)c1,mutagenic -188107-71-3,Cc1cc(c(C)c2c3ccccc3n(C)c12)[N+](=O)[O-],mutagenic -484-08-2,COc1cc2nc3occc3c(OC)c2cc1OC,mutagenic -6068-96-8,CCCOO,mutagenic -24099-25-0,COc1c(OCC2OC2(C)C)ccc3c(OC)c4ccoc4nc13,non-mutagenic -51938-16-0,CN(CCCCO)N=O,mutagenic -112022-09-0,CN(C)CCNC(=O)C1=CC=CN2C(=O)c3ccccc3N=C12,mutagenic -38965-71-8,OC(=O)c1cc2OCOc2c3c4cccc(O)c4cc(c13)[N+](=O)[O-],mutagenic -89-83-8,CC(C)c1ccc(C)cc1O,non-mutagenic -17479-19-5,CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O,non-mutagenic -92911-19-8,CNc1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic -91642-47-6,CCCCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -304-20-1,NNc1nncc2ccccc12,mutagenic -2206-89-5,ClCCOC(=O)C=C,mutagenic -5910-89-4,Cc1nccnc1C,non-mutagenic -25148-68-9,CNc1ccccc1N,mutagenic -141511-29-7,[O-][N+](=O)c1ccc2c(CCc3c4CCCCc4ccc23)c1,mutagenic -127924-00-9,OC(CC(=O)OCCBr)(CC(=O)OCCBr)C(=O)OCCBr,mutagenic -3778-73-2,ClCCN[P@]1(=O)OCCCN1CCCl,mutagenic -15088-70-7,CCOC(=O)CNC(=O)CBr,non-mutagenic -526-75-0,Cc1cccc(O)c1C,non-mutagenic -NOCAS_M354,CC[C@H](O)CN,non-mutagenic -36519-91-2,Clc1ccc(CC2CO2)cc1,mutagenic -105-45-3,COC(=O)CC(=O)C,non-mutagenic -17886-23-6,CCN1CCN=N1,mutagenic -16048-37-6,O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,mutagenic -99520-64-6,O1C2C1c3ccc4c5ccccc5c6cc7cccc2c7c3c46,mutagenic -94-82-6,OC(=O)CCCOc1ccc(Cl)cc1Cl,non-mutagenic -59-02-9,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,non-mutagenic -1748-81-8,CC(=O)CCC1C2CC3C(CC12C)OC(=O)C3=C,non-mutagenic -148-65-2,CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2,non-mutagenic -594-71-8,CC(C)(Cl)[N+](=O)[O-],mutagenic -4457-41-4,[O-][N+](=O)c1ccc(COC(=O)c2ccccc2)cc1,mutagenic -555-66-8,CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1,mutagenic -63-74-1,Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic -504-29-0,Nc1ccccn1,non-mutagenic -24549-06-2,CCc1cccc(C)c1N,mutagenic -619-89-6,OC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-],mutagenic -6795-23-9,COc1cc2OC3OC=CC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic -38915-14-9,CCN(CCCl)CCCNc1c2ccccc2nc3c(OC)cccc13,mutagenic -612-64-6,CCN(N=O)c1ccccc1,non-mutagenic -39208-00-9,CN(C)c1ccc(cc1)N=Nc2ccc(C=O)cc2,mutagenic -75607-61-3,NC(CCC(=O)NC(CSCCCl)NC(=O)CC(=O)O)C(=O)O,mutagenic -47165-04-8,NC(=N)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=N)N,non-mutagenic -97-24-5,Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,non-mutagenic -78914-75-7,CN(C)c1ccc(cc1)N=Nc2ccc(COC(=O)C)cc2,mutagenic -55676-18-1,CC(=O)Nc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,non-mutagenic -106532-60-9,CC(=O)\N=C\1/SN(C(=O)C)c2ccc(cc12)[N+](=O)[O-],mutagenic -148749-29-5,CC(=O)OC1(CCC2C3C(CCC12C)C4(C)C5CC5C(=O)C=C4C6(Cl)CC36)C(=O)C,non-mutagenic -100924-64-9,OS(=O)(=O)OCc1cc2ccccc2c3ccc4ccccc4c13,mutagenic -31297-82-2,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc3C(=O)c4ccccc4C(=O)c3c2O,mutagenic -139259-91-9,COc1ccc(CON(OC(=O)C)C(=O)c2ccccc2)cc1,mutagenic -33703-08-1,CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,non-mutagenic -533-30-2,Nc1ccc2ncsc2c1,mutagenic -311-45-5,CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],mutagenic -135294-99-4,OCc1cccc2c3cccc4cccc(c12)c34,non-mutagenic -108278-72-4,NC(=O)N(CCCC(=O)O)N=O,mutagenic -272-16-2,c1ccc2sncc2c1,non-mutagenic -118745-11-2,ON(C=O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic -NOCAS_M324,CN1CC[C@@H](CN2c3ccccc3Sc4ccccc24)C1,non-mutagenic -33953-73-0,Oc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -51938-15-9,CCCCN(CC(=O)C)N=O,mutagenic -56-40-6,NCC(=O)O,non-mutagenic -593-08-8,CCCCCCCCCCCC(=O)C,non-mutagenic -151910-74-6,OC1C=Cc2c(ccc3cc4c5C=CC(O)C(O)c5ccc4cc23)C1O,non-mutagenic -4273-73-8,COC(=O)\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C)\C,non-mutagenic -108354-48-9,Cc1cc2nccnc2c3nc(N)n(C)c13,mutagenic -89-25-8,CC1=NN(C(=O)C1)c2ccccc2,non-mutagenic -NOCAS_M102,C[C@@H]1COc2c(N3CCN(C)CC3)c(F)c(C(=O)O)c4C(=O)C=CN1c24,mutagenic -51-98-9,CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C#C,non-mutagenic -32425-83-5,O=C1CCc2ccc3c(ccc4ccccc34)c12,mutagenic -131862-17-4,CN(C)CCNC(=O)c1cc2ccccc2c3cccnc13,mutagenic -138805-30-8,Cc1ccc(N)cc1N=[N+]([O-])c2cc(N)ccc2C,mutagenic -110-83-8,C1CCC=CC1,non-mutagenic -105427-00-7,CC1(CO1)C(=O)NCc2ccccc2,mutagenic -129286-36-8,Fc1ccc2c3c(ccc4ccccc34)c5cccc1c25,mutagenic -2415-85-2,CC(=O)CC(=O)Nc1ccc(C)cc1,non-mutagenic -35287-69-5,COC(=O)C12Oc3ccc(c(O)c3C(=C1C(=O)CC(C)C2O)O)c4ccc5OC6(C(O)C(C)CC(=O)C6=C(O)c5c4O)C(=O)OC,non-mutagenic -NOCAS_M569,C[C@H]1C[C@H](CC(C)(C)C1)OC(=O)c2ccccc2O,non-mutagenic -999-55-3,C=CCOC(=O)C=C,non-mutagenic -393-52-2,Fc1ccccc1C(=O)Cl,mutagenic -1025-15-6,C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,non-mutagenic -127183-64-6,Nc1ccc2c(no[n+]2[O-])n1,mutagenic -150445-99-1,[O-][N+](=O)c1cccc(CO\N=C\c2nc3cc(ccc3n2Cc4ccc(F)cc4)[N+](=O)[O-])c1,non-mutagenic -94223-87-7,Cc1ccc2nc3c(cc2c1)c4cccc5cccc3c45,non-mutagenic -NOCAS_M538,CCC[C@](C)(COC(=O)N)COC(=O)NC(C)C,non-mutagenic -27354-18-3,CC(C)Nc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic -68-12-2,CN(C)C=O,non-mutagenic -26328-53-0,[O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1,non-mutagenic -91254-97-6,Oc1cc2ccc(c3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic -133960-21-1,COC(=O)c1oc(NOC(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic -149996-82-7,CCN(C=O)N=O,mutagenic -80-13-7,OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,mutagenic -3333-62-8,O=C1Oc2cc(ccc2C=C1c3ccccc3)n4nc5ccc6ccccc6c5n4,non-mutagenic -50649-06-4,OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3ccc(Cl)cc3Cl,non-mutagenic -98-83-9,CC(=C)c1ccccc1,non-mutagenic -1010-93-1,Cc1ncc([N+](=O)[O-])n1CC(=O)O,mutagenic -19077-98-6,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic -97-88-1,CCCCOC(=O)C(=C)C,non-mutagenic -7241-98-7,COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCOC5=O)c14,non-mutagenic -553-97-9,CC1=CC(=O)C=CC1=O,non-mutagenic -NOCAS_M63,O[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic -130-01-8,C\C=C\1/CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23,non-mutagenic -507-70-0,CC1(C)C2CCC1(C)C(O)C2,non-mutagenic -99523-57-6,Cc1ccc2nsc(NC(=O)CCl)c2c1,mutagenic -166546-18-5,CCN(CCCl)c1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6,non-mutagenic -141899-13-0,COc1cc2OC3(C)OC4OC4C3(C)c2c5OC(=O)C6=C(CCC6=O)c15,non-mutagenic -NOCAS_M551,CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OC[C@H](CC)CCCC)c(c1)C(=O)OC[C@H](CC)CCCC,non-mutagenic -69658-16-8,OS(=O)(=O)c1ccc(Oc2ccc3c4ccccc4C(=O)c5cccc2c35)cc1,mutagenic -131-12-4,COc1c(OC)c2occc2c3OC(=O)C=Cc13,non-mutagenic -51330-27-9,CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CC(O)C8(C)CCC67C)C4(C)CO)C(=O)O)C(O)C(O)C1O,non-mutagenic -4671-93-6,N#C[Se]Cc1ccccc1,mutagenic -940-14-7,[O-][N+](=O)c1ccc(OC=C)cc1,mutagenic -118745-13-4,CCC(=O)N(O)c1ccc2ccccc2c1,mutagenic -107-31-3,COC=O,non-mutagenic -33779-70-3,C[n+]1c(c2ccc(N)cc2)c3cc(N)ccc3c4ccc(N)cc14,mutagenic -60768-66-3,[O-][N+](=O)c1ccc2sncc2c1,mutagenic -687-47-8,CCOC(=O)[C@H](C)O,non-mutagenic -1162-65-8,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic -557-11-9,NC(=O)NCC=C,mutagenic -64532-97-4,CCCCCCCCCc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic -98-87-3,ClC(Cl)c1ccccc1,mutagenic -111990-50-2,C(Cc1cccc2ccccc12)C3CO3,mutagenic -55556-91-7,O=NN1CCC(=O)CC1,mutagenic -491-35-0,Cc1ccnc2ccccc12,mutagenic -138835-35-5,[O-][N+](=O)c1ccc2ccc3nc4ccccc4c5ccc1c2c35,mutagenic -140-64-7,NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,non-mutagenic -989-38-8,CCNc1cc2OC3=CC(=NCC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C,non-mutagenic -23165-19-7,C[N+]1(C)CCOCC1,non-mutagenic -2650-18-2,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5S(=O)(=O)O,mutagenic -141-46-8,OCC=O,non-mutagenic -66212-60-0,O[C@@H]1[C@H]2O[C@H]2c3cc4ccc5cccc6ccc(c3[C@@H]1O)c4c56,mutagenic -98911-23-0,CC(=O)N(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2ccc(Oc3ccc(Cl)cc3)cc2,mutagenic -41037-13-2,Cc1cc(cc2ccccc12)[N+](=O)[O-],mutagenic -1107-26-2,C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)\C=O,non-mutagenic -102822-04-8,[O-][N+](=O)c1ccc2C(=O)C(=O)c3cccc4ccc1c2c34,mutagenic -72869-86-4,CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,non-mutagenic -598-78-7,CC(Cl)C(=O)O,non-mutagenic -2397-76-4,CC(=C)C(=O)OCC(C)(C)C,non-mutagenic -120812-47-7,[O-][N+](=O)c1ccc2c3CCCCc3c4cccc5ccc1c2c45,mutagenic -188699-17-4,COc1nc2cc(cc(CBr)c2nc1OC)[N+](=O)[O-],mutagenic -60872-63-1,C\C=C/1\CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,mutagenic -1669-70-1,CC1(CO1)c2ccc(Cl)cc2,mutagenic -84-17-3,C\C=C(\C(=C\C)\c1ccc(O)cc1)/c2ccc(O)cc2,non-mutagenic -746-53-2,[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -NOCAS_M561,CCCC[C@@H](CC)CNC[C@H](CC)CCCC,non-mutagenic -NOCAS_M403,CCOC(=O)[C@@H]1O[C@]1(C)c2ccccc2,non-mutagenic -61756-39-6,CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic -99333-90-1,Oc1c(cc2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic -9002-92-0,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,non-mutagenic -18640-74-9,CC(C)Cc1nccs1,mutagenic -109415-89-6,CCOC(=O)C(C)(C#N)c1snc2ccc(cc12)[N+](=O)[O-],mutagenic -5326-87-4,BrCC(=O)Nc1ccccc1,non-mutagenic -452-06-2,Nc1nc2ncnc2c[nH]1,non-mutagenic -1565-94-2,CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2,non-mutagenic -61421-82-7,COc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic -68299-98-9,OCC(=O)N(O)c1ccc(Cl)cc1,non-mutagenic -1874-22-2,[O-][N+](=O)c1oc(\C=C\C=O)cc1,mutagenic -28361-96-8,NC(CSCCCl)C(=O)O,mutagenic -98151-92-9,Nc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic -16053-71-7,Cc1c2C(O)C(O)c3ccccc3c2cc4ccccc14,mutagenic -22056-82-2,CCOCC=O,non-mutagenic -540-49-8,Br\C=C\Br,mutagenic -2113-57-7,Brc1cccc(c1)c2ccccc2,non-mutagenic -36504-66-2,O1[C@@H]2C=Cc3cc4ccc5cccc6ccc(c3[C@H]12)c4c56,mutagenic -NOCAS_M517,O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],non-mutagenic -1734-79-8,[O-][N+](=O)c1ccc(\C=C\C=O)cc1,mutagenic -106671-90-3,[O-][N+](=O)c1ccc(cc1)c2nc3sccn3c2N=O,mutagenic -10061-01-5,ClC\C=C/Cl,mutagenic -64224-21-1,CC1=C(SSC1=S)c2cnccn2,non-mutagenic -125372-28-3,Cn1c(N=N#N)nc2ccc3ncccc3c12,mutagenic -126-07-8,COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O,non-mutagenic -28995-89-3,[O-][N+](=O)c1cc(c2c(cc(cc2c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -NOCAS_M394,CCC[C@@H](C)C[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O,non-mutagenic -134998-72-4,CCC(CCC(=O)C)COC(=O)CCCCC(=O)O,non-mutagenic -5598-53-8,NC(CC(=O)O)C(=O)O,non-mutagenic -109-64-8,BrCCCBr,non-mutagenic -78-94-4,CC(=O)C=C,mutagenic -591-12-8,CC1=CCC(=O)O1,non-mutagenic -26049-70-7,NNc1nc(cs1)c2ccc(cc2)[N+](=O)[O-],mutagenic -99-55-8,Cc1ccc(cc1N)[N+](=O)[O-],mutagenic -302-84-1,NC(CO)C(=O)O,non-mutagenic -79-14-1,OCC(=O)O,non-mutagenic -2429-71-2,COc1cc(ccc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5O)S(=O)(=O)O)c(OC)c4,non-mutagenic -505-22-6,C1COCOC1,mutagenic -123-32-0,Cc1cnc(C)cn1,non-mutagenic -947-72-8,Clc1cc2ccccc2c3ccccc13,mutagenic -NOCAS_M56,N1[C@@H]2[C@H]1c3ccccc3c4c2ccc5ccccc45,mutagenic -104-46-1,COc1ccc(\C=C\C)cc1,non-mutagenic -54235-20-0,Oc1cc2c3ccccc3c4cccc(c1[N+](=O)[O-])c24,mutagenic -478-45-5,OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,non-mutagenic -102408-27-5,CN(C)c1nc2c3cccnc3ccc2n1C,mutagenic -50-49-7,CN(C)CCCN1c2ccccc2CCc3ccccc13,non-mutagenic -13436-58-3,Cn1cc2cccc(c2n1)[N+](=O)[O-],mutagenic -192-97-2,c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,mutagenic -13171-00-1,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,non-mutagenic -29590-42-9,CC(C)CCCCCOC(=O)C=C,non-mutagenic -89-40-7,[O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,mutagenic -2531-84-2,Cc1ccc2c(ccc3ccccc23)c1,mutagenic -78468-34-5,Nc1cc(ccc1CO)[N+](=O)[O-],mutagenic -1649-18-9,Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,non-mutagenic -143343-83-3,COc1ccc(CNCC(O)COc2ccc3nc(O)ccc3c2)cc1OC,non-mutagenic -9002-86-2,CCC(Cl)CC(Cl)CC(C)Cl,non-mutagenic -64507-38-6,OC(=O)c1cc(Br)cc2cccnc12,non-mutagenic -13010-10-1,CCCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic -116374-67-5,CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(C)C,mutagenic -18774-09-9,CC1(OO)c2ccccc2c3ccccc13,mutagenic -2213-63-0,Clc1nc2ccccc2nc1Cl,non-mutagenic -64920-33-8,OC1C(O)c2ccc3c(ccc4ccccc34)c2C5OC15,mutagenic -5405-53-8,[O-][N+](=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic -610-28-6,OC(=O)c1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -2400-17-1,CNc1snc2ccccc12,non-mutagenic -121808-62-6,OC(=O)C1CSCN1C(=O)C2CCC(=O)N2,non-mutagenic -55691-69-5,[O-][N+](=O)c1ccc2c3ccccc3c4ccc(c1c24)[N+](=O)[O-],mutagenic -83053-58-1,CCCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic -145438-96-6,CNC(=O)c1c(ncn1C)N(C)N=O,non-mutagenic -33419-42-0,COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,non-mutagenic -499-12-7,OC(=O)C\C(=C\C(=O)O)\C(=O)O,non-mutagenic -130536-40-2,OC1C=Cc2cccnc2C1O,non-mutagenic -95840-05-4,OC1C=CC2OC2C1O,mutagenic -10373-78-1,CC1(C)C2CCC1(C)C(=O)C2=O,non-mutagenic -135086-93-0,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(Cl)cc4,mutagenic -147151-61-9,CC12CCC3C(CCC4CC(CCC34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)C1CCC(=O)N2,mutagenic -513-88-2,CC(=O)C(Cl)Cl,mutagenic -NOCAS_M35,C[C@@H](O)CN(C[C@@H](C)O)N=O,mutagenic -80789-74-8,OS(=O)(=O)c1ccc2NC(=O)C(=O)c2c1,mutagenic -119613-13-7,CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic -112022-05-6,CN(C)CCNC(=O)c1cccc2cc3ccccc3cc12,mutagenic -112309-61-2,CC1=C(Cl)C(=O)OC1O,mutagenic -244-63-3,c1ccc2c(c1)[nH]c3cnccc23,mutagenic -NOCAS_M270,N[C@H](CS)C(=O)O,mutagenic -619-23-8,[O-][N+](=O)c1cccc(CCl)c1,mutagenic -NOCAS_M157,CCN(CC)CCC[C@@H](C)Nc1cc(OC)cc2cccnc12,mutagenic -80-54-6,CC(CC=O)c1ccc(cc1)C(C)(C)C,non-mutagenic -120388-69-4,O=Nc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic -58-14-0,CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,non-mutagenic -5443-49-2,Br\C(=C/c1ccccc1)\C=O,mutagenic -627-93-0,COC(=O)CCCCC(=O)OC,non-mutagenic -61996-71-2,OS(=O)(=O)Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35,non-mutagenic -2465-27-2,CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,mutagenic -4097-53-4,Oc1c(cc(cc1[N+](=O)[O-])c2ccccc2)[N+](=O)[O-],mutagenic -65945-06-4,Oc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic -279242-17-0,CC(C)(C)c1ccc(cc1)c2ccc(cc2)N=O,mutagenic -77094-11-2,Cc1cc2ncccc2c3nc(N)n(C)c13,mutagenic -3764-01-0,Clc1cc(Cl)nc(Cl)n1,non-mutagenic -1064-48-8,Nc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(cc3cc(c(N=Nc4ccccc4)c(O)c13)S(=O)(=O)O)S(=O)(=O)O,mutagenic -610-67-3,CCOc1ccccc1[N+](=O)[O-],mutagenic -71382-44-0,N1C2C1c3cc4ccccc4cc3c5ccccc25,mutagenic -NOCAS_M159,C=C[C@H]1CO1,mutagenic -1212-29-9,S=C(NC1CCCCC1)NC2CCCCC2,non-mutagenic -5633-20-5,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic -106532-61-0,CCC(=O)\N=C\1/SN(C(=O)CC)c2ccc(cc12)[N+](=O)[O-],mutagenic -98-37-3,Nc1cc(ccc1O)S(=O)(=O)O,non-mutagenic -2082-79-3,CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic -35001-52-6,CCOc1ccc(cc1NC(=O)C(=O)Nc2ccccc2CC)C(C)(C)C,non-mutagenic -75-17-2,ON=C,non-mutagenic -773-76-2,Oc1c(Cl)cc(Cl)c2cccnc12,non-mutagenic -95186-19-9,Nc1nc(c(CCO)c2ncnn12)c3ccccc3,non-mutagenic -37853-59-1,Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,non-mutagenic -142534-71-2,CC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,non-mutagenic -67410-22-4,Nc1ccc2ccc3ccccc3c2n1,mutagenic -31555-54-1,ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,mutagenic -6730-83-2,CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4)C(=O)O,non-mutagenic -141691-42-1,Cn1c(N)nc2ccc(cc12)C#N,mutagenic -1689-84-5,Oc1c(Br)cc(cc1Br)C#N,non-mutagenic -921-14-2,CC(C)N(N)C(C)C,mutagenic -119914-60-2,CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3c(C)c2F)C4CC4,non-mutagenic -674-82-8,C=C1CC(=O)O1,non-mutagenic -172374-58-2,CC(=O)Nc1ccc(Oc2ccc(cc2)N(O)C(=O)C)cc1,mutagenic -NOCAS_M452,CCCC[C@@H](CC)COCCCN,non-mutagenic -NOCAS_M299,Cn1c(ncc1[N+](=O)[O-])[C@H]2NC(CO)(CO)CO2,mutagenic -145439-03-8,CNc1ncn(C)c1C(=O)N(C)N=O,mutagenic -1066-40-6,C[Si](C)(C)O,non-mutagenic -329-71-5,Oc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -119-90-4,COc1cc(ccc1N)c2ccc(N)c(OC)c2,mutagenic -5862-77-1,CCOc1ccc(N)cc1N,mutagenic -159092-68-9,[O-][N+](=O)c1cccc2c3ccccc3cc(c12)[N+](=O)[O-],mutagenic -106428-28-8,CC12CCCC(C)(C1CCC34CC(O)(CCC23)C(=C)C4=O)C(=O)O,mutagenic -157730-36-4,Cn1c(N)nc2nc3ccncc3cc12,non-mutagenic -581-50-0,c1ccc(nc1)c2cccnc2,mutagenic -88133-11-3,CCOCCc1c(nc(N)n2ncnc12)c3ccccc3,non-mutagenic -98736-51-7,COC(=O)c1ccc(CN(C)N=O)cc1,non-mutagenic -107759-11-5,CCOC(=O)N(N=O)C(CCC=O)c1cccnc1,mutagenic -486-56-6,CN1C(CCC1=O)c2cccnc2,non-mutagenic -14170-43-5,Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -150-90-3,OC(=O)CCC(=O)O,non-mutagenic -634-91-3,Nc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic -129927-37-3,CCNCC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic -106-58-1,CN1CCN(C)CC1,non-mutagenic -95933-74-7,N\C(=N/O)\c1cc(O)c(O)c(O)c1,mutagenic -124-40-3,CNC,non-mutagenic -87-83-2,Cc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic -NOCAS_M44,O[C@@H]1c2ccccc2c3ccc(cc13)[N+](=O)[O-],mutagenic -98114-61-5,OCCCN=N,mutagenic -75-07-0,CC=O,non-mutagenic -335-76-2,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,non-mutagenic -93673-34-8,O1C2C1c3cc4cc5ccccc5cc4c6cccc2c36,mutagenic -107-19-7,OCC#C,mutagenic -117929-13-2,[O-][N+](=O)c1cc2CCc3cc(cc4CCc(c1)c2c34)[N+](=O)[O-],mutagenic -62018-89-7,OCCCCN(CCO)N=O,mutagenic -60878-02-6,[O-][N+](=O)c1oc(\C=N\c2snc3ccccc23)cc1,mutagenic -173216-45-0,OCC(CN=N#N)Cc1ccccc1,mutagenic -118326-90-2,Brc1ccc2C3CCCCC3C=Cc2c1,non-mutagenic -52547-00-9,Cc1cc(N)sn1,mutagenic -330-55-2,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,mutagenic -87009-12-9,OC(CN=N#N)CN1C=CC(=O)NC1=O,mutagenic -86-30-6,O=NN(c1ccccc1)c2ccccc2,non-mutagenic -33813-20-6,S=C1SSC2=NCCN12,non-mutagenic -NOCAS_M347,COC(=O)[C@H]([C@H]1CCCCN1)c2ccccc2,non-mutagenic -18458-01-0,Cc1ccc(CC2CO2)cc1,mutagenic -105-60-2,O=C1CCCCCN1,non-mutagenic -76180-96-6,Cn1c(N)nc2c3cccnc3ccc12,mutagenic -NOCAS_M16,C[C@@H](O)CN(C)N=O,mutagenic -91254-96-5,Oc1cc2cccc3ccc4c(ccc1c4c23)[N+](=O)[O-],mutagenic -115085-17-1,O1C=CC=Cc2c1c3cc4ccccc4cc3c5ccccc25,mutagenic -82789-18-2,OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4,non-mutagenic -91575-29-0,CC(=O)Nc1ccc(Cc2ccc(NC(=O)C)c(Cl)c2)cc1Cl,mutagenic -84987-77-9,ClCCOC\C(=C/Cl)\Cl,mutagenic -1204-60-0,O=Cc1cccc(c1)c2ccccc2,non-mutagenic -104535-31-1,CC(O)Cc1cc(N)cc(c1N)[N+](=O)[O-],non-mutagenic -23564-05-8,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,mutagenic -108-59-8,COC(=O)CC(=O)OC,non-mutagenic -95-85-2,Nc1cc(Cl)ccc1O,mutagenic -29927-08-0,Cc1cc2nc(N)sc2cc1C,mutagenic -65002-17-7,CC(C)(S)C(=O)NC(CS)C(=O)O,non-mutagenic -194-69-4,c1ccc2c(c1)ccc3c2ccc4ccc5ccccc5c34,mutagenic -158729-28-3,Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl,non-mutagenic -92180-79-5,Cc1nc2ccc3c(nc(N)n3C)c2nc1C,mutagenic -88-74-4,Nc1ccccc1[N+](=O)[O-],non-mutagenic -109-97-7,c1cc[nH]c1,non-mutagenic -2314-97-8,FC(F)(F)I,mutagenic -161697-03-6,Cc1nc2ccc(N)c(C)c2nc1C,mutagenic -2940-63-8,COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,non-mutagenic -59229-75-3,Cc1c(N)cc(cc1N)[N+](=O)[O-],mutagenic -68107-25-5,C[C@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2C[C@@]3(C)[C@H](O)C[C@H](O)C[C@H]13,mutagenic -78415-72-2,Cc1nc(O)c(cc1c2ccncc2)C#N,non-mutagenic -75321-20-9,[O-][N+](=O)c1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic -65734-38-5,CC(=O)NNc1ccc(CO)cc1,mutagenic -2234-13-1,Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,non-mutagenic -105708-67-6,CC(=O)OC1Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic -6637-88-3,Cc1cc(c(N)c(N=Nc2ccc(cc2C)c3ccc(N=Nc4ccc(O)c(c4)C(=O)O)c(C)c3)c1N)S(=O)(=O)O,mutagenic -100-16-3,NNc1ccc(cc1)[N+](=O)[O-],mutagenic -NOCAS_M397,CC[C@@H](C)[C@H](C)CO,non-mutagenic -19866-61-6,[O-][n+]1cc2cccnc2cn1,non-mutagenic -63390-12-5,Nc1ccc(cc1Cl)c2cc(Cl)c(N)c(Cl)c2,mutagenic -142044-38-0,[O-][n+]1cccc2C3OC3C=Cc12,non-mutagenic -156-59-2,Cl\C=C/Cl,non-mutagenic -621-42-1,CC(=O)Nc1cccc(O)c1,non-mutagenic -24305-27-9,NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3,non-mutagenic -60877-92-1,Oc1ccc(\C=N\c2snc3ccccc23)cc1,mutagenic -31125-05-0,CC(=O)c1ccc(cc1)N=O,mutagenic -NOCAS_M280,CC(C)NC[C@@H]1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],mutagenic -80-15-9,CC(C)(OO)c1ccccc1,mutagenic -82-33-7,Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,mutagenic -139-13-9,OC(=O)CN(CC(=O)O)CC(=O)O,non-mutagenic -303-98-0,COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C,non-mutagenic -9003-53-6,C[C@H](CCc1ccccc1)c2ccccc2,non-mutagenic -119631-01-5,Cc1ccc2nc3cc(C)c(N)cc3nc2c1N,mutagenic -67-68-5,CS(=O)C,non-mutagenic -613-93-4,CNC(=O)c1ccccc1,non-mutagenic -3570-75-0,[O-][N+](=O)c1oc(cc1)c2csc(NNC=O)n2,mutagenic -110-71-4,COCCOC,mutagenic -78448-09-6,Oc1cccc2c1ccc3[nH]c4ccc5ccccc5c4c23,mutagenic -812-00-0,COP(=O)(O)O,non-mutagenic -123-86-4,CCCCOC(=O)C,non-mutagenic -2227-17-0,ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl,mutagenic -88598-57-6,[O-][N+](=O)c1ccc2ccc3c4CCCCc4cc5ccc1c2c35,mutagenic -530-78-9,OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,non-mutagenic -824-94-2,COc1ccc(CCl)cc1,non-mutagenic -632-21-3,ClC(Cl)C(=O)C(Cl)Cl,mutagenic -109897-80-5,OC1C(O)c2cc3ccc(cc3cc2CC1=O)[N+](=O)[O-],non-mutagenic -NOCAS_M112,CC[C@H]1CO1,mutagenic -146177-62-0,Cc1nc2c(C)c(C)c3c(nc(N)n3C)c2nc1C,mutagenic -16783-47-4,C=CN=Nc1ccccc1,mutagenic -NOCAS_M328,CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1,non-mutagenic -55804-66-5,CCOC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,non-mutagenic -20426-12-4,Oc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic -35144-55-9,OC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic -533-73-3,Oc1ccc(O)c(O)c1,mutagenic -123-39-7,CNC=O,non-mutagenic -163275-60-3,Fc1cccc2c1ccc3cccnc23,mutagenic -52278-77-0,NC1=NC(=O)N(C=C1O)C2CC(O)C(CO)O2,non-mutagenic -102791-34-4,[O-][N+](=O)c1ccc2ccc3cccc4C(=O)Oc1c2c34,mutagenic -142713-67-5,CC(NCc1ccccc1)C(=O)NCc2ccccc2,non-mutagenic -83-26-1,CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,non-mutagenic -99-51-4,Cc1ccc(cc1C)[N+](=O)[O-],mutagenic -4803-27-4,Cc1ccc2C(=O)N3C=C(CC3C(O)Nc2c1O)\C=C\C(=O)N,mutagenic -NOCAS_M451,COC(=C1[C@H](C(=C(C)N=C1C)C(=O)OCC(=O)C)c2ccccc2[N+](=O)[O-])O,non-mutagenic -110004-65-4,CS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4cc(ccc24)N=N#N)N=N#N)cc1,mutagenic -606-31-5,[O-][N+](=O)c1cccc(c1C=O)[N+](=O)[O-],mutagenic -88488-97-5,Oc1ccc2c(c1)c3ccccc3c4cc5ccccc5cc24,mutagenic -60032-80-6,C1CCc2c(C1)cc3c4ccccc4cc5c6ccccc6c2c35,mutagenic -117549-85-6,N\C(=N/OC1OC(C(O)C(O)C1O)C(=O)O)\c2ccccc2,non-mutagenic -66357-59-3,CN\C(=C\[N+](=O)[O-])\NCCSCc1oc(CN(C)C)cc1,non-mutagenic -118745-15-6,O=Nc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -50-79-3,OC(=O)c1cc(Cl)ccc1Cl,non-mutagenic -83435-67-0,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2,non-mutagenic -13177-31-6,[O-][N+](=O)c1cccc2c3cccc4cccc(c12)c34,mutagenic -39720-27-9,CC(=O)Oc1ccc(CCl)cc1,mutagenic -315-30-0,Oc1[nH]cnc2nncc12,non-mutagenic -95-55-6,Nc1ccccc1O,mutagenic -26541-51-5,O=NN1CCSCC1,mutagenic -1838-94-4,CC1(CO1)C=C,non-mutagenic -33448-26-9,CNC1Cc2cccc3cccc(C1)c23,mutagenic -75586-69-5,C[n+]1c2ccccc2cc3cc(N)ccc13,mutagenic -84498-34-0,Oc1cc2ccccc2c3ccc4ccccc4c13,non-mutagenic -91897-48-2,CN1CC(=C[C@@H]2[C@H]1Cc3cn(CC=C)c4cccc2c34)CO,mutagenic -4261-14-7,Nc1ncnc2c1ncn2Cc3ccccc3,mutagenic -25834-80-4,Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,mutagenic -542-56-3,CC(C)CON=O,mutagenic -106871-13-0,Cc1ccc(cc1N(CCCl)CCCl)C(O)(P(=O)(O)O)P(=O)(O)O,mutagenic -7492-66-2,CCOC(OCC)\C=C(\C)/CCC=C(C)C,non-mutagenic -94-58-6,CCCc1ccc2OCOc2c1,non-mutagenic -93957-55-2,CC(C)n1c(\C=C\[C@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13,non-mutagenic -53340-16-2,CC[N+](=C1C=CC2=Nc3c(OC2=C1)cc(N)c4ccccc34)CC,mutagenic -2243-61-0,Nc1ccc(N)c2ccccc12,mutagenic -20589-85-9,Cl\C=C(/Cl)\C(Cl)Cl,mutagenic -637-07-0,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,non-mutagenic -54749-90-5,OCC(O)C(O)C(O)C(NC(=O)N(CCCl)N=O)C=O,mutagenic -20324-66-7,Cc1cc(O)c2C(=O)c3c(O)cc(O)c(O)c3C(=O)c2c1,mutagenic -108-46-3,Oc1cccc(O)c1,non-mutagenic -17526-24-8,CC(=O)OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -54827-17-7,Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,non-mutagenic -85-33-6,CC(=C)c1ccc(C)c2ccc(C=O)c2c1,mutagenic -144425-09-2,COc1ccc2cc(c3C=CC(=O)Oc3c2c1)[N+](=O)[O-],mutagenic -109237-00-5,CC(=O)C1=CCC2C3=CCC4=CC(O)C(O)CC4(C)C3CC(O)C12C,non-mutagenic -50-30-6,OC(=O)c1c(Cl)cccc1Cl,non-mutagenic -118995-84-9,CC(C)(C)NC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,non-mutagenic -556-08-1,CC(=O)Nc1ccc(cc1)C(=O)O,non-mutagenic -78-11-5,[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic -699-18-3,[O-][N+](=O)\C=C\c1occc1,non-mutagenic -2880-58-2,COC1=CC(=O)C=CC1=O,non-mutagenic -115459-65-9,[O-][N+](=O)c1ccc(cc1)C(=O)OC[C@H]2CO2,mutagenic -55936-77-1,CN(OC(=O)C)c1ccc(cc1)N=Nc2ccccc2,mutagenic -17627-75-7,COc1ccc(\C=C\C)c(OC)c1,non-mutagenic -199536-65-7,ClC1=C(CBr)COC1=O,mutagenic -116530-07-5,Cc1cccc2ccc(cc12)[N+](=O)[O-],mutagenic -NOCAS_M172,O[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl,mutagenic -931-97-5,OC1(CCCCC1)C#N,non-mutagenic -69839-83-4,ONC(=O)c1ccc(O)c(O)c1,mutagenic -5845-67-0,CC(C)CC1NC(=O)CNC1=O,non-mutagenic -103-30-0,C(=C\c1ccccc1)/c2ccccc2,non-mutagenic -51857-25-1,Cc1c(cc(cc1[N+](=O)[O-])N=[N+]([O-])c2cc(c(C)c(c2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -136112-70-4,Nc1nc(nc2c1ncn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-],mutagenic -608-71-9,Oc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic -57018-52-7,C[C@@H](O)COC(C)(C)C,mutagenic -50-76-0,CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4N=C23)C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,non-mutagenic -20917-49-1,O=NN1CCCCCCC1,mutagenic -80-09-1,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,non-mutagenic -3237-50-1,OC1(O)C(=O)NC(=O)NC1=O,non-mutagenic -53716-49-7,CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,non-mutagenic -NOCAS_M557,CC[C@@H](CO)[N+](=O)[O-],non-mutagenic -116505-53-4,OC(=O)CCCc1ccc(NCCCl)cc1,mutagenic -106-43-4,Cc1ccc(Cl)cc1,non-mutagenic -15826-37-6,OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,non-mutagenic -191861-19-5,Fc1cc2cccnc2c3ncccc13,mutagenic -235760-37-9,Cc1cc(C)c2nsnc2c1N,mutagenic -105361-85-1,ONc1cccc(c1)c2ccccc2,non-mutagenic -81-16-3,Nc1ccc2ccccc2c1S(=O)(=O)O,mutagenic -15307-79-6,OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,non-mutagenic -133-32-4,OC(=O)CCCc1c[nH]c2ccccc12,non-mutagenic -106589-49-5,C1Cc2ccc3nc4ccc5ccccc5c4cc3c2C=C1,mutagenic -91254-93-2,Oc1cc2c(ccc3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic -88-06-2,Oc1c(Cl)cc(Cl)cc1Cl,non-mutagenic -534-22-5,Cc1occc1,non-mutagenic -124-02-7,C=CCNCC=C,non-mutagenic -534-52-1,Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -10396-68-6,OC1COC(Nc2ccc(cc2)C(=O)O)C(O)C1O,non-mutagenic -129833-03-0,CC(=O)C1(C)OC12C(=O)C=Cc3ccccc23,non-mutagenic -16354-52-2,CCc1c2ccccc2c(CC)c3c1ccc4ccccc34,non-mutagenic -1072-83-9,CC(=O)c1ccc[nH]1,mutagenic -17626-02-7,COc1cc(N)c(OC)cc1N,mutagenic -262-20-4,O1c2ccccc2Sc3ccccc13,non-mutagenic -257948-44-0,[O-][N+](=O)c1ccc2c(c1)c3nc4ccccc4c5c6ccccc6nc2c35,mutagenic -7213-59-4,COc1cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c(O)c1O,mutagenic -1121-55-7,C=Cc1cccnc1,non-mutagenic -113-98-4,CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,non-mutagenic -1606-67-3,Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic -5323-95-5,CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)O,non-mutagenic -67616-44-8,OCCSN=O,mutagenic -3844-63-1,O=NN1CCNC1=O,mutagenic -41340-25-4,CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12,non-mutagenic -590-21-6,C\C=C\Cl,mutagenic -573-58-0,Nc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O,mutagenic -NOCAS_M253,[O-][N+](=O)c1ccc(OC[C@H]2CO2)cc1,mutagenic -239-35-0,c1ccc2c(c1)ccc3c4ccccc4sc23,mutagenic -6358-23-2,Oc1ccccc1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic -61695-74-7,C1O[C@@H]1c2ccc3ccc4cccc5ccc2c3c45,mutagenic -79-46-9,CC(C)[N+](=O)[O-],mutagenic -1319-69-3,OCC(O)COP(=O)(O)O,non-mutagenic -1401-55-4,Oc1cc(cc(O)c1O)C(=O)OCC2OC(OC(=O)c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3)C(OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(O)c6)C2OC(=O)c7cc(O)c(O)c(O)c7,non-mutagenic -55-18-5,CCN(CC)N=O,mutagenic -100-19-6,CC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -69866-21-3,COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c4c(O)c(OC)c6[nH]c(cc56)C(=O)N7CC8CC89C7=CC(=O)c%10[nH]cc(C)c9%10)C(=O)N,non-mutagenic -128753-82-2,COC12OOC1(C)Oc3ccccc23,mutagenic -2208-41-5,COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,non-mutagenic -39482-21-8,C[Si](C)(C)CN(N=O)C(=O)N,mutagenic -51483-40-0,ClC(CBr)CBr,mutagenic -620-89-3,Cc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -NOCAS_M555,CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O,non-mutagenic -134-03-2,OC[C@H](O)[C@H]1OC(=C(O)C1=O)O,non-mutagenic -NOCAS_M27,O[C@H]1C=C2c3ccc4ccccc4c3c5cccc([C@@H]1O)c25,mutagenic -55738-54-0,CN(C)CNc1oc(\C=C\c2oc(cc2)[N+](=O)[O-])nn1,mutagenic -57-57-8,O=C1CCO1,mutagenic -65-45-2,NC(=O)c1ccccc1O,non-mutagenic -15104-03-7,CC1CCN(CC1)N=O,mutagenic -18715-54-3,C[Si](C)(CCCOCC1CO1)c2ccc(cc2)[Si](C)(C)CCCOCC3CO3,mutagenic -NOCAS_M205,CC(C)(C)OC[C@H]1CO1,mutagenic -89-75-8,ClC(=O)c1ccc(Cl)cc1Cl,mutagenic -105-67-9,Cc1ccc(O)c(C)c1,mutagenic -6098-44-8,CC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic -2432-99-7,NCCCCCCCCCCC(=O)O,non-mutagenic -689-98-5,NCCCl,mutagenic -1127-45-3,Oc1cccc2ccc[n+]([O-])c12,non-mutagenic -26227-73-6,CCCCc1ccc(cc1)\N=C/c2ccc(OC)cc2,mutagenic -83-67-0,CN1C(=O)NC(=O)c2c1ncn2C,non-mutagenic -19213-09-3,CC(O)CC(=O)Nc1ccc(O)cc1,non-mutagenic -62-23-7,OC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -5711-16-0,CC1CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CCC1(O)C3,non-mutagenic -765-87-7,O=C1CCCCC1=O,mutagenic -6728-26-3,CCC\C=C\C=O,mutagenic -158729-25-0,[O-][N+](=O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic -565-64-0,OC(=O)C(Cl)CCl,non-mutagenic -107-02-8,C=CC=O,mutagenic -146795-43-9,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2Br,mutagenic -137-66-6,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=C(O)C1=O)O,non-mutagenic -107793-72-6,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,non-mutagenic -68641-49-6,ClP(=O)(N1CCOC1=O)N2CCOC2=O,mutagenic -62674-12-8,ClC1=C(Cl)C(=O)OC1,mutagenic -71721-78-3,[O-][N+](=O)c1ccc2Oc3cc(Cl)c(Cl)cc3Oc2c1,mutagenic -98640-41-6,NC(CSC(F)(F)C(F)(F)C(F)F)C(=O)O,non-mutagenic -7700-17-6,COP(=O)(OC)O\C(=C/C(=O)O[C@@H](C)c1ccccc1)\C,non-mutagenic -611-13-2,COC(=O)c1occc1,non-mutagenic -623-05-2,OCc1ccc(O)cc1,non-mutagenic -NOCAS_M542,CCCC[C@@H](CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,non-mutagenic -1148-79-4,c1ccc(nc1)c2cccc(n2)c3ccccn3,mutagenic -93535-04-7,Nc1ccc(\C=C\c2cccc(Cl)c2)cc1,mutagenic -98-57-7,CS(=O)(=O)c1ccc(Cl)cc1,non-mutagenic -101-26-8,CN(C)C(=O)Oc1ccc[n+](C)c1,non-mutagenic -500-38-9,CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,non-mutagenic -195-27-7,c1ccc2c(c1)ncc3cnc4ccccc4c23,non-mutagenic -107-13-1,C=CC#N,mutagenic -22769-68-2,COC(=O)Nc1nc2cc(O)ccc2[nH]1,non-mutagenic -3414-62-8,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NO)ncnc23,mutagenic -2481-94-9,CCN(CC)c1ccc(cc1)N=Nc2ccccc2,non-mutagenic -104-28-9,CCOCCOC(=O)\C=C/c1ccc(OC)cc1,non-mutagenic -934-32-7,Nc1nc2ccccc2[nH]1,non-mutagenic -73-22-3,N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,non-mutagenic -6367-36-8,CC(C)(C)OC(=O)CN=N#N,mutagenic -3442-62-4,[O-][N+](=O)c1ccc2nc3ccccc3nc2c1,mutagenic -3694-52-8,Nc1cccc(c1N)[N+](=O)[O-],mutagenic -99240-66-1,CCN(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic -NOCAS_M303,C[C@H](I)[C@@H]1OC[C@@H](CO)O1,mutagenic -133591-33-0,Cc1cc(c(C)c2c3ccccc3[nH]c12)[N+](=O)[O-],mutagenic -105579-74-6,Oc1ccc2C3C4OC4C(=O)c5c(O)ccc(C6C7OC7C(=O)c1c26)c35,mutagenic -142-09-6,CCCCCCOC(=O)C(=C)C,non-mutagenic -61439-60-9,CS(=O)(=O)OCCc1ccc(OCc2ccccc2)cc1,mutagenic -5956-39-8,CC1(C)CCCC2(C)C1CC=C(C=O)C2C=O,non-mutagenic -106-40-1,Nc1ccc(Br)cc1,non-mutagenic -1718-34-9,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic -160543-16-8,Cc1ccc2nc3c4ccccc4C(O)C(O)c3c(C)c2c1,non-mutagenic -2642-98-0,Nc1cc2c3ccccc3ccc2c4ccccc14,mutagenic -131229-64-6,CCCCON(OC(=O)C)C(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic -75005-80-0,NC(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O,non-mutagenic -109-06-8,Cc1ccccn1,non-mutagenic -158729-27-2,Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Cl)c1,non-mutagenic -31566-31-1,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,non-mutagenic -105650-23-5,Cn1c(N)nc2ncc(cc12)c3ccccc3,mutagenic -7230-71-9,Cc1ccc2cc3ccc4ccccc4c3nc2c1,mutagenic -1119-48-8,CNCCCC(=O)O,non-mutagenic -14371-10-9,O=C\C=C/c1ccccc1,mutagenic -56-23-5,ClC(Cl)(Cl)Cl,non-mutagenic -104-54-1,OC\C=C\c1ccccc1,non-mutagenic -96-48-0,O=C1CCCO1,non-mutagenic -66291-31-4,Cc1ccc2ccc3ccccc3c2c1C,non-mutagenic -42200-33-9,CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12,non-mutagenic -133762-84-2,COC1=NC(=O)N(CC(O)CN=N#N)C=C1C,mutagenic -598-57-2,CN[N+](=O)[O-],non-mutagenic -2520-60-7,CC(=CCC1CCCC1=O)C,non-mutagenic -225366-91-6,Fc1ccc2ncccc2c1F,mutagenic -6201-87-2,Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,non-mutagenic -80-05-7,CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,non-mutagenic -71711-58-5,Cc1c(C)c2c(N)c3ccccc3nc2c4ccccc14,mutagenic -53527-28-9,CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C4CC=C(C=O)C(C=O)C14C,non-mutagenic -4332-51-8,ClCCSCc1ccccc1,mutagenic -68395-77-7,Cc1cc(C)cc(NO)c1,mutagenic -155014-05-4,Nc1cccc2ncc(F)cc12,mutagenic -125486-24-0,CCN(CCCl)c1ccc(CCCNc2c3ccccc3nc4ccccc24)cc1,mutagenic -110-91-8,C1COCCN1,non-mutagenic -6756-41-8,Cc1ccc(cc1)N=Nc2c(O)ccc3ccccc23,non-mutagenic -113202-71-4,O=Nc1cc2c3ccccc3ccc2c4ccccc14,mutagenic -551-06-4,S=C=Nc1cccc2ccccc12,mutagenic -109032-48-6,CNC(=O)Oc1cc2ccccc2c3ccccc13,mutagenic -517-28-2,Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@@H]3c2cc1O,non-mutagenic -215-58-7,c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,mutagenic -155164-62-8,ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccc(Cl)cc2Cl,non-mutagenic -6673-35-4,CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,non-mutagenic -1985-51-9,CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,non-mutagenic -125761-28-6,CC(=O)OC1C(O)C(OC(=O)\C=C\c2ccc(O)cc2)C(CO)OC1OC34CC(C)(C)C(=O)C3C(C)(O)C5(CC5)C(=C4)C,mutagenic -90-65-3,CO\C(=C/C(=O)O)\C(=O)C(=C)C,mutagenic -110336-19-1,O=C1CCc2ccc3ccc4ccccc4c3c12,non-mutagenic -142-96-1,CCCCOCCCC,non-mutagenic -63885-23-4,CCNC(=N)N(N=O)[N+](=O)[O-],mutagenic -161697-02-5,CNc1ccc2ncc(nc2c1C)c3ccccc3,mutagenic -78-51-3,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,non-mutagenic -58-08-2,CN1C(=O)N(C)c2ncn(C)c2C1=O,non-mutagenic -3175-89-1,CN1CCc2cc3OCOc3c4c5ccccc5C(O)C1c24,mutagenic -115-11-7,CC(=C)C,non-mutagenic -129833-00-7,CC1=CC(=O)Oc2c3OC4(C)OOC4(C)c3ccc12,mutagenic -104-88-1,Clc1ccc(C=O)cc1,non-mutagenic -35300-54-0,CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic -142713-66-4,CC(Br)C(=O)NC(C)(C)C,non-mutagenic -80-78-4,CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)N2C1,non-mutagenic -188970-84-5,Oc1cccc2c1ccc3[nH]c4cc(c5ccccc5c4c23)[N+](=O)[O-],mutagenic -74339-98-3,OC1C=Cc2c(cc3c4ccccc4cc5c6ccccc6c2c35)C1O,mutagenic -56892-30-9,Oc1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic -99520-67-9,Oc1c2c3ccccc3c4ccc5ccc6cccc1c6c5c24,non-mutagenic -110963-29-6,NNC(=O)c1[nH]c2ccccc2c1N,mutagenic -138154-39-9,CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23,mutagenic -17928-28-8,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,non-mutagenic -56548-64-2,CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic -2270-40-8,CC(=O)OCC12CCC(=CC1OC3C(O)C(OC(=O)C)C2(C)C34CO4)C,non-mutagenic -33237-74-0,CCN(CC)CCCN(C1Cc2ccccc2C1)c3ccccc3,non-mutagenic -56-72-4,CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,non-mutagenic -95-94-3,Clc1cc(Cl)c(Cl)cc1Cl,non-mutagenic -4539-51-9,Nc1ccc2c(c1)[nH]c3ccccc23,mutagenic -7177-48-2,CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,non-mutagenic -141511-31-1,[O-][N+](=O)c1ccc2c(ccc3cc4c(ccc5ccccc45)cc23)c1,mutagenic -7437-61-8,CC(=C)C1CO1,non-mutagenic -74011-58-8,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3,mutagenic -479-79-8,O=C1c2ccccc2c3ccc4ccccc4c13,non-mutagenic -470-82-6,C[C@@]12CC[C@@H](CC1)C(C)(C)O2,non-mutagenic -97-77-8,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-mutagenic -1622-62-4,CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-],mutagenic -162050-09-1,[O-][N+](=O)c1oc(C(=O)CBr)c(Cl)c1Cl,mutagenic -641-38-3,Cc1cc(O)cc2OC(=O)c3c(O)cc(O)cc3c12,non-mutagenic -938-55-6,CN(C)c1[nH]cnc2ncnc12,mutagenic -422-56-0,FC(F)(F)C(F)(F)C(Cl)Cl,non-mutagenic -1156-19-0,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-mutagenic -16582-03-9,Nc1cccc2nc3c(N)cccc3nc12,mutagenic -42471-28-3,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,mutagenic -22755-15-3,CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic -NOCAS_M330,C1C=C[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12,non-mutagenic -112-49-2,COCCOCCOCCOC,mutagenic -54522-52-0,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C1C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic -88169-60-2,COC(=O)C(N)CSCCCl,mutagenic -103-33-3,c1ccc(cc1)N=Nc2ccccc2,mutagenic -95-51-2,Nc1ccccc1Cl,non-mutagenic -115-96-8,ClCCOP(=O)(OCCCl)OCCCl,non-mutagenic -77-06-5,C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O,non-mutagenic -4914-30-1,CCC1=C(CC2NCCc3cc(OC)c(OC)cc23)CC4N(CCc5cc(OC)c(OC)cc45)C1,non-mutagenic -51230-49-0,Clc1ccc2oc3ccccc3c2c1,mutagenic -94-75-7,OC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic -389-08-2,CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,non-mutagenic -2493-84-7,CCCCCCCCOc1ccc(cc1)C(=O)O,non-mutagenic -75-09-2,ClCCl,mutagenic -159714-84-8,Cc1cccc2C3NC3c4cc5ccccc5cc4c12,mutagenic -97672-08-7,O=Nn1cc(CC#N)c2ccccc12,mutagenic -108-10-1,CC(C)CC(=O)C,non-mutagenic -122-88-3,OC(=O)COc1ccc(Cl)cc1,non-mutagenic -1728-96-7,COc1ccc(cc1)c2nc(c3ccc(OC)cc3)c([nH]2)c4ccc(OC)cc4,mutagenic -100-20-9,ClC(=O)c1ccc(cc1)C(=O)Cl,mutagenic -7493-72-3,CCCCCCCCC(=O)OCC=C,non-mutagenic -106532-73-4,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3cccc(Cl)c3)\c2c1)C(=O)c4cccc(Cl)c4,mutagenic -548-93-6,Nc1c(O)cccc1C(=O)O,non-mutagenic -149922-82-7,ClC1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -104145-44-0,COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4ccc5C(=O)C=CC(=O)c5n4,mutagenic -85-02-9,c1ccc2c(c1)ccc3ncccc23,mutagenic -38915-28-5,CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)nc13,mutagenic -NOCAS_M582,C[C@@H](O)C[N+](C)(C)NC(=O)C(=C)C,non-mutagenic -13674-87-8,ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,mutagenic -85-81-4,COc1cc(c2ncccc2c1)[N+](=O)[O-],mutagenic -129251-09-8,CCC(CCOCN1C=CN(C)C1\C=N\O)[N+](=O)[O-],non-mutagenic -958-93-0,CN(C)CCN(Cc1ccsc1)c2ccccn2,non-mutagenic -617-35-6,CCOC(=O)C(=O)C,non-mutagenic -106-39-8,Clc1ccc(Br)cc1,non-mutagenic -78-93-3,CCC(=O)C,non-mutagenic -63710-10-1,CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5C1C(=O)OC,mutagenic -119-84-6,O=C1CCc2ccccc2O1,non-mutagenic -764-42-1,N#C\C=C/C#N,non-mutagenic -32157-71-4,Brc1ccc(cc1)C(=O)C2OC2c3ccccc3,non-mutagenic -NOCAS_M265,OC[C@H](O)CI,mutagenic -NOCAS_M342,CCCCC[C@@H](CC)OC(=O)c1cccc(c1)C(=O)O[C@H](CC)CCCCC,non-mutagenic -NOCAS_M304,COC(=O)[C@@]1(O[C@@]1(C)[C@H](O)C(C)C)C(=O)N,mutagenic -158729-21-6,Cc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic -262-12-4,O1c2ccccc2Oc3ccccc13,non-mutagenic -99-35-4,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -832-69-9,Cc1cccc2c1ccc3ccccc23,mutagenic -3761-53-3,Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O)c(C)c1,mutagenic -38716-10-8,OCC1OC(CC1O)N2C=C(COO)C(=O)NC2=O,mutagenic -160543-00-0,Cc1ccc2nc3c(ccc4ccccc34)c(CO)c2c1,mutagenic -118-92-3,Nc1ccccc1C(=O)O,non-mutagenic -63521-85-7,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic -603-87-2,Nc1cccc(c1O)[N+](=O)[O-],non-mutagenic -3153-55-7,COc1c(O)cc2CCN(C)C3Cc4ccccc4c1c23,mutagenic -1686-14-2,CC1(C)C2CC3OC3(C)C1C2,non-mutagenic -188107-70-2,Cn1c2ccccc2c3ccc(cc13)[N+](=O)[O-],mutagenic -22433-76-7,CC(=O)Nc1ccc2ncccc2c1,mutagenic -117-12-4,Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12,mutagenic -2154-68-9,CC1(C)CC(C(=O)O)C(C)(C)N1O,non-mutagenic -150147-09-4,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(nc2)N(CCO)CCO,non-mutagenic -621-77-2,CCCCCN(CCCCC)CCCCC,non-mutagenic -135105-90-7,COc1cc(OC)c2C3C(OC4OC34)Oc2c1,mutagenic -23590-59-2,Clc1nncc2cccnc12,mutagenic -27554-26-3,CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,non-mutagenic -108-38-3,Cc1cccc(C)c1,non-mutagenic -525-66-6,CC(C)NC[C@@H](O)COc1cccc2ccccc12,non-mutagenic -160543-10-2,OCc1ccc2c(CO)c3ccc4ccccc4c3nc2c1,non-mutagenic -89-63-4,Nc1ccc(Cl)cc1[N+](=O)[O-],mutagenic -97461-42-2,CCCCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -623-24-5,BrCc1ccc(CBr)cc1,non-mutagenic -53552-01-5,Clc1ccc(Oc2ccc(NC=O)cc2)c(Cl)c1,mutagenic -50-02-2,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,non-mutagenic -2062-78-4,Oc1nc2ccccc2n1C3CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3,non-mutagenic -162022-93-7,Clc1nncc2ccncc12,non-mutagenic -108-98-5,Sc1ccccc1,non-mutagenic -626-60-8,Clc1cccnc1,non-mutagenic -103-17-3,Clc1ccc(CSc2ccc(Cl)cc2)cc1,non-mutagenic -57-71-6,CC(=O)\C(=N/O)\C,non-mutagenic -74-95-3,BrCBr,mutagenic -104-78-9,CCN(CC)CCCN,non-mutagenic -128350-04-9,CC(\C=C(/C#N)\c1ccc(F)cc1)C(C(C#N)c2ccc(F)cc2)c3ccccc3,non-mutagenic -2438-88-2,COc1c(Cl)c(Cl)c(c(Cl)c1Cl)[N+](=O)[O-],non-mutagenic -114656-96-1,Cc1[nH]c2C(=O)C=C(N3CC3)C(=O)c2c4nc5ccccc5c14,mutagenic -97166-13-7,CC(Cl)C(Br)CBr,mutagenic -82-71-3,Oc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -645-05-6,CN(C)c1nc(nc(n1)N(C)C)N(C)C,non-mutagenic -110-82-7,C1CCCCC1,non-mutagenic -92134-94-6,OCC(O)C(O)C(O)C1SCCN1N=O,non-mutagenic -NOCAS_M327,CN(C)CCO[C@@](C)(c1ccccc1)c2ccccn2,non-mutagenic -67976-98-1,O1C2C1c3nc4ccc5ccccc5c4cc3c6ccccc26,mutagenic -7203-89-6,CN(C)N=Nc1ccc(C)cc1,mutagenic -NOCAS_M384,CC(=CCC[C@](C)(OC(=O)c1ccccc1N)C=C)C,non-mutagenic -1767-28-8,Oc1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-],mutagenic -98736-49-3,CN(Cc1cccc(c1)C#N)N=O,mutagenic -288-47-1,c1cscn1,mutagenic -95741-57-4,Cc1cc2c3cc4ccccc4cc3c5cccc(c1)c25,mutagenic -7379-35-3,Clc1ccncc1,non-mutagenic -NOCAS_M369,C[C@@H](O)COC[C@@H](C)O,non-mutagenic -99240-67-2,CC(=O)Nc1ccc2c(Cc3ccccc23)c1OC(=O)c4ccccc4,non-mutagenic -894-52-0,Cc1c(C)c2c(ccc3ccccc23)c4CCC(=O)c14,mutagenic -NOCAS_M457,C[C@@H](N)CN,non-mutagenic -58-54-8,CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,non-mutagenic -87425-69-2,OC1C=Cc2cc3c(ccc4ccccc34)c(Br)c2C1O,non-mutagenic -54-31-9,NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,non-mutagenic -115165-01-0,Oc1cccc2c3ccccc3c4cc5ccccc5cc4c12,non-mutagenic -69227-45-8,CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CNCC(N)C(=O)N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCCNC(=N)CC7CCC(Cl)CC7,mutagenic -2353-45-9,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(O)cc5S(=O)(=O)O,non-mutagenic -394-69-4,Fc1cccc2ncccc12,mutagenic -95-79-4,Cc1ccc(Cl)cc1N,non-mutagenic -33089-36-0,C1COCCOCCOCCOCCOCCOCCO1,non-mutagenic -38363-41-6,CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,mutagenic -420-12-2,C1CS1,mutagenic -497-23-4,O=C1OCC=C1,non-mutagenic -111858-66-3,OC1COC(C(O)C1O)N(CCc2c[nH]c3ccccc23)N=O,mutagenic -100850-37-1,CN(CC(=O)NN)c1ccc2ccccc2c1,non-mutagenic -148193-32-2,COc1nsc2cc(ccc12)[N+](=O)[O-],mutagenic -115767-74-3,CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OP(=O)(O)O)cc2)\c3ccc(cc3)C(C)C,non-mutagenic -15961-88-3,[O-][N+](=Nc1ccc2c(Cc3ccccc23)c1)c4ccc5c(Cc6ccccc56)c4,non-mutagenic -600-14-6,CCC(=O)C(=O)C,non-mutagenic -110-59-8,CCCCC#N,non-mutagenic -67274-48-0,CC(=O)N(O)c1ccc(Br)cc1,non-mutagenic -3096-63-7,Cc1cccc(C)c1NO,mutagenic -4418-26-2,CC(=O)C1=C(O)C=C(C)OC1=O,non-mutagenic -NOCAS_M140,O1[C@@H]2[C@H]1c3ccccc3c4c2ccc5ccccc45,mutagenic -NOCAS_M458,CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1,non-mutagenic -24961-39-5,BrCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -482-66-6,C1Cc2ccc3c(ccc4ccccc34)c2C1,non-mutagenic -2815-45-4,CC(C)(C)C1CCC2(CC1)CO2,non-mutagenic -105752-67-8,Cc1cccc2cc(ccc12)[N+](=O)[O-],mutagenic -13060-14-5,COc1cc(cc(OC)c1OC)C2OCC3C2COC3c4cc(OC)c(OC)c(OC)c4,non-mutagenic -40321-99-1,CCC(CCC(C)O)COC(=O)c1ccccc1C(=O)O,non-mutagenic -96563-06-3,CC1c2ccccc2c3cc(C)c(C)cc13,mutagenic -781-43-1,Cc1c2ccccc2c(C)c3ccccc13,mutagenic -54-16-0,OC(=O)Cc1c[nH]c2ccc(O)cc12,non-mutagenic -6317-18-6,N#CSCSC#N,non-mutagenic -62450-06-0,Cc1nc(N)c(C)c2[nH]c3ccccc3c12,mutagenic -36848-41-6,[O-][N+](=O)c1cccc2nc3c(cccc3nc12)[N+](=O)[O-],non-mutagenic -NOCAS_M59,Nc1ncnc2c1ncn2C[C@H](O)CN=[N+]=[N-],mutagenic -7570-37-8,COc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic -60262-85-3,OC1C(Oc2c3ccccc3c4ccc5cccc6ccc2c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic -188970-88-9,Oc1ccc2ccc3[nH]c4cc(c5ccccc5c4c3c2c1)[N+](=O)[O-],mutagenic -120-52-5,O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c3ccccc3,mutagenic -475-75-2,O=C1c2ccccc2c3c4OCOc4cc5ccnc1c35,mutagenic -106-96-7,BrCC#C,mutagenic -108-89-4,Cc1ccncc1,non-mutagenic -590-88-5,CC(N)CCN,non-mutagenic -99-66-1,CCCC(CCC)C(=O)O,non-mutagenic -99217-04-6,CC(=O)Oc1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic -8022-00-2,CCSCCOP(=S)(OC)OC,non-mutagenic -24698-43-9,CC(C)COS(=O)(=O)c1ccccc1,mutagenic -173216-44-9,N#N=NCCC(c1ccccc1)c2ccccc2,mutagenic -581-89-5,[O-][N+](=O)c1ccc2ccccc2c1,mutagenic -115550-35-1,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O,mutagenic -105-55-5,CCNC(=S)NCC,non-mutagenic -NOCAS_M382,CCCC[C@@H](CC)CO,non-mutagenic -23788-22-9,Oc1ccc(OP2(NP(NP(N2)(Oc3ccc(O)cc3)Oc4ccc(O)cc4)(Oc5ccc(O)cc5)Oc6ccc(O)cc6)Oc7ccc(O)cc7)cc1,non-mutagenic -104789-46-0,ClCCNC(=O)Sc1[nH]cnc2ncnc12,mutagenic -1120-36-1,CCCCCCCCCCCCC=C,non-mutagenic -51325-91-8,CN(C)c1ccc(\C=C\C2=CC(=C(C#N)C#N)C=C(C)O2)cc1,mutagenic -135086-99-6,Nc1c([nH]c2ccccc12)C(=O)N\N=C\c3ccccc3,non-mutagenic -61845-52-1,CCOC1=CC(N(O)c2ccccc12)(c3ccccc3)c4ccccc4,non-mutagenic -24400-01-9,CN(C)CCCNc1c2ccccc2nc3c(C)ccc(c13)[N+](=O)[O-],mutagenic -31438-22-9,[O-][N+](=O)c1cccc2c3ccccc3[nH]c12,mutagenic -124617-83-0,CCON(OC(=O)C)C(=O)c1ccccc1,mutagenic -578-06-3,Nc1cccc2nc3ccccc3cc12,mutagenic -71432-00-3,O=C1Oc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -87-10-5,Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,non-mutagenic -100-52-7,O=Cc1ccccc1,non-mutagenic -2437-56-1,CCCCCCCCCCCC=C,non-mutagenic -102-60-3,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,non-mutagenic -68302-57-8,CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)O,non-mutagenic -140-11-4,CC(=O)OCc1ccccc1,non-mutagenic -120404-26-4,OCCNc1ccc(cc1)N=Nc2ccc(NCCO)cc2,mutagenic -3009-50-5,COc1ccc(cc1)N=Nc2ccc(cc2)N(C)C,mutagenic -131-11-3,COC(=O)c1ccccc1C(=O)OC,non-mutagenic -626-15-3,BrCc1cccc(CBr)c1,non-mutagenic -1666-13-3,[Se]([Se]c1ccccc1)c2ccccc2,mutagenic -87-65-0,Oc1c(Cl)cccc1Cl,non-mutagenic -2319-96-2,Cc1cc2cc3ccccc3cc2c4ccccc14,mutagenic -92569-05-6,[O-][N+](=O)c1cnc(s1)N2CCN(C(=O)C(Cl)Cl)C2=O,mutagenic -73018-98-1,OCC(O)CN=N#N,mutagenic -19406-51-0,Cc1c(cc(N)cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -20496-16-6,CCc1ccc2c3ccccc3c4cccc1c24,non-mutagenic -144730-01-8,FC(F)(F)c1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic -NOCAS_M543,O=C1NC(=O)[C@H]2CC=CC[C@@H]12,non-mutagenic -54-11-5,CN1CCC[C@@H]1c2cccnc2,non-mutagenic -529-49-7,Oc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1,mutagenic -1918-13-4,NC(=S)c1c(Cl)cccc1Cl,mutagenic -67019-30-1,CN(C(=O)C)c1snc2ccccc12,non-mutagenic -60877-86-3,C(=N\c1snc2ccccc12)/c3ccccc3,non-mutagenic -148193-29-7,C(Oc1cccc2cnsc12)C3CO3,mutagenic -140-95-4,OCNC(=O)NCO,mutagenic -111955-19-2,Cc1ccc(cc1)N(N=O)C2OCC(O)C(O)C2O,mutagenic -479-45-8,CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -109-89-7,CCNCC,non-mutagenic -NOCAS_M62,O=C[C@H]1CO1,mutagenic -51837-64-0,COc1cc(NC(=O)C)ccc1NC(=O)C,non-mutagenic -NOCAS_M194,CC(C)(c1ccc(OC[C@H]2CO2)cc1)c3ccc(OC[C@H]4CO4)cc3,mutagenic -107673-64-3,[O-][N+](=O)c1ccc2c(c1)c3cc4ccccc4c5cccc2c35,mutagenic -NOCAS_M321,CN(C)[C@@H]1[C@@H]2[C@H](O)[C@H]3C(=C(O)[C@@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4[C@]3(C)O,non-mutagenic -6341-85-1,CC1(CO1)C2CO2,mutagenic -104-82-5,Cc1ccc(CCl)cc1,non-mutagenic -90625-53-9,COC1=CC(=O)C=C/C/1=N\c2c3ccccc3nc4ccccc24,non-mutagenic -60102-37-6,CC1CC2(OC2C)C(=O)OC3CCN(C)CC=C(COC(=O)C1(C)O)C3=O,mutagenic -80-43-3,CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,non-mutagenic -NOCAS_M20,OC[C@H](Br)CBr,mutagenic -16292-86-7,Nc1ccc(c(O)c1)[N+](=O)[O-],mutagenic -103395-25-1,ClCc1ccc2cccc3c4ccccc4c1c23,mutagenic -3626-28-6,Nc1c(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)cc4)c(cc5cc(c(N=Nc6ccccc6)c(O)c15)S(=O)(=O)O)S(=O)(=O)O,mutagenic -2876-23-5,Nc1ccc2nc3ccccc3nc2c1,mutagenic -119-53-9,O[C@H](C(=O)c1ccccc1)c2ccccc2,non-mutagenic -818-61-1,OCCOC(=O)C=C,non-mutagenic -110-13-4,CC(=O)CCC(=O)C,non-mutagenic -91137-27-8,Cc1cccc2c(cccc12)[N+](=O)[O-],mutagenic -16830-15-2,C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O,non-mutagenic -5336-53-8,O=NN(Cc1ccccc1)Cc2ccccc2,non-mutagenic -39156-41-7,COc1ccc(NOS(=O)(=O)O)cc1N,mutagenic -102-77-2,C1CN(CCO1)Sc2nc3ccccc3s2,non-mutagenic -NOCAS_M388,CC[C@@]1(CC(=O)O)OCCc2c1n(C)c3ccccc23,non-mutagenic -52-67-5,CC(C)(S)C(N)C(=O)O,mutagenic -NOCAS_M413,CC(C)NC[C@@H](O)COc1cccc2C[C@@H](COc12)O[N+](=O)[O-],non-mutagenic -108-94-1,O=C1CCCCC1,non-mutagenic -154-93-8,ClCCNC(=O)N(CCCl)N=O,mutagenic -153260-27-6,C1Cc2scnc2c3cccnc13,non-mutagenic -56719-41-6,COC(=O)\C(=C(/OP(=O)(OC)OC)\c1ccc(Cl)cc1Cl)\Br,non-mutagenic -3671-78-1,O=C(Nc1ccc2c(Cc3ccccc23)c1)c4ccccc4,mutagenic -38661-82-4,CC(Cl)c1ccccc1,non-mutagenic -112022-13-6,CN(C)CCNC(=O)c1cccc2Oc3ccccc3Nc12,mutagenic -91-21-4,C1Cc2ccccc2CN1,non-mutagenic -720-39-8,CCCCc1cc(C)cc(CCCC)c1O,non-mutagenic -20480-67-5,C1CCC2C(C1)CCc3ccccc23,non-mutagenic -28540-82-1,CC(C)CC1NC(=O)C(C)N(C)C(=O)CNC(=O)\C(=C/c2ccccc2)\N(C)C1=O,non-mutagenic -109621-20-7,COC(=O)C(CSCC(C)Br)NC(=O)C,mutagenic -54292-61-4,Cc1cc(ccc1N=Nc2cccnc2)N(CCO)CCO,non-mutagenic -89459-43-8,CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12,mutagenic -43192-03-6,Cc1ccc(NO)cc1[N+](=O)[O-],non-mutagenic -7786-61-0,COc1cc(C=C)ccc1O,non-mutagenic -NOCAS_M385,CCc1cccc2cc(oc12)[C@H](O)CNC(C)(C)C,non-mutagenic -122021-01-6,CCCCC(CC)COC(=O)c1ccc(cc1)N(C)N=O,non-mutagenic -813-78-5,COP(=O)(O)OC,non-mutagenic -577-59-3,CC(=O)c1ccccc1[N+](=O)[O-],non-mutagenic -92-36-4,Cc1ccc2nc(sc2c1)c3ccc(N)cc3,mutagenic -13506-76-8,Cc1cccc(c1C(O)O)[N+](=O)[O-],mutagenic -439-14-5,CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,non-mutagenic -7364-25-2,Oc1[nH]nc2ccccc12,non-mutagenic -109-01-3,CN1CCNCC1,non-mutagenic -4424-06-0,O=C1c2ccc3c4nc5ccccc5n4C(=O)c6ccc(c7nc8ccccc8n17)c2c36,mutagenic -218-02-0,c1ccc2c(c1)ccc3c4ccncc4ccc23,mutagenic -131-73-7,[O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -1321-94-4,Cc1ccc2ccccc2c1,non-mutagenic -5329-87-3,[O-][N+](=O)c1ccc2c(CCc3ccccc23)c1,mutagenic -63224-44-2,CCCCCCCCCCCCCC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic -85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,non-mutagenic -98114-62-6,OCN=N,mutagenic -75-50-3,CN(C)C,non-mutagenic -108-91-8,NC1CCCCC1,non-mutagenic -72-56-0,CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,mutagenic -128505-52-2,CCN(CC)C(=S)SSCC(NC(=O)C)C(=O)O,non-mutagenic -738-70-5,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,non-mutagenic -131-92-0,O=C(Nc1cccc2C(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c5[nH]c34)C(=O)c12)c9ccccc9,non-mutagenic -1888-89-7,C(CC1CO1)C2CO2,mutagenic -61734-86-9,CCCCCN(CCCCO)N=O,mutagenic -104-04-1,CC(=O)Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic -17135-78-3,Clc1ccc2cc3ccccc3cc2c1,mutagenic -34430-26-7,CCCC[CH-][N+](=O)[O-],non-mutagenic -68006-83-7,Cc1cc2c3ccccc3[nH]c2nc1N,mutagenic -63-56-9,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,non-mutagenic -5875-25-2,CC(Br)C(=O)N,mutagenic -1732-23-6,Nc1cc2ccc3cccc4ccc(c1)c2c34,mutagenic -50-01-1,NC(=N)N,non-mutagenic -88598-59-8,OC1C=Cc2c(cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-])C1O,mutagenic -144-48-9,NC(=O)CI,non-mutagenic -6629-29-4,Cc1c(N)cc(N)cc1[N+](=O)[O-],mutagenic -89811-25-6,CC(C)CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -98931-06-7,CCCn1cc2CC3C(CC(C)CN3C#N)c4cccc1c24,mutagenic -620-26-8,Cc1cccc(c1)N=O,non-mutagenic -31431-39-7,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,mutagenic -96910-70-2,CC1(C)C[C@H]2C=C(CO)[C@]3(C[C@@]3(C)[C@@H]2C1)C=O,mutagenic -54607-64-6,OC(=O)c1occ(c2ccccc2)c1c3ccccc3,non-mutagenic -67019-28-7,O=C(Nc1snc2ccccc12)c3ccccc3,mutagenic -620-88-2,[O-][N+](=O)c1ccc(Oc2ccccc2)cc1,mutagenic -93-72-1,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic -41840-28-2,Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1,non-mutagenic -163275-64-7,Fc1ccc(F)c2c1ccc3cccnc23,mutagenic -105-36-2,CCOC(=O)CBr,mutagenic -106-44-5,Cc1ccc(O)cc1,non-mutagenic -606-35-9,COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -2498-77-3,Cc1cccc2ccc3cc4ccccc4cc3c12,mutagenic -136112-73-7,Nc1ncnc2c1ncn2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],mutagenic -66842-42-0,Cc1c2ccccc2c([C@@H]3CO3)c4ccccc14,mutagenic -99-98-9,CN(C)c1ccc(N)cc1,mutagenic -25125-72-8,N1[C@@H]([C@H]1c2ccccc2)c3ccccc3,mutagenic -25799-70-6,COc1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-],mutagenic -96014-36-7,Nc1ccc2[nH]c3ccccc3c2c1[N+](=O)[O-],mutagenic -51938-14-8,CCCCN(CCO)N=O,mutagenic -107-22-2,O=CC=O,mutagenic -74877-25-1,O=C1C=Cc2c(ccc3cc4ccccc4cc23)C1=O,non-mutagenic -144-62-7,OC(=O)C(=O)O,non-mutagenic -NOCAS_M450,CC[C@@H](C)Nc1ccc(N[C@H](C)CC)cc1,non-mutagenic -892-17-1,Cc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic -111-30-8,O=CCCCC=O,mutagenic -64314-52-9,C[C@@H]1O[C@H](C[C@H](N)[C@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO,mutagenic -7681-76-7,Cn1c(COC(=O)N)ncc1[N+](=O)[O-],mutagenic -85431-61-4,CC1C(O)CCC2=CC(=O)C3(OC3C12C)C4(CO)CO4,mutagenic -55-86-7,CN(CCCl)CCCl,mutagenic -130-15-4,O=C1C=CC(=O)c2ccccc12,mutagenic -86-87-3,OC(=O)Cc1cccc2ccccc12,non-mutagenic -67392-87-4,CC12CCC(=O)C=C1C3CC3C4C2CCC5(C)C4C6CC6C57CCC(=O)O7,non-mutagenic -92116-67-1,CNc1ccc2ncc(C)nc2c1N,non-mutagenic -137-26-8,CN(C)C(=S)SSC(=S)N(C)C,mutagenic -100-51-6,OCc1ccccc1,non-mutagenic -184582-58-9,Oc1c2ccccc2nc3ccc4OCCOc4c13,mutagenic -81-13-0,CC(C)(CO)C(O)C(=O)NCCCO,non-mutagenic -630-17-1,CC(C)(C)CBr,non-mutagenic -56986-35-7,CCCCN(N=O)[C@@H](CCC)OC(=O)C,mutagenic -142078-76-0,OC1C(O)c2cccnc2C3OC13,non-mutagenic -68884-32-2,C(C1CO1)c2cccc3ccccc23,mutagenic -5417-50-5,CC(=O)Nc1cnc2ccccc2c1,non-mutagenic -155164-64-0,CCC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic -5784-45-2,Clc1nncc2ccccc12,non-mutagenic -89-62-3,Cc1ccc(N)c(c1)[N+](=O)[O-],mutagenic -93-05-0,CCN(CC)c1ccc(N)cc1,mutagenic -96-37-7,CC1CCCC1,non-mutagenic -28164-57-0,Cc1cc(O)c2C(=O)C=C(C(=O)c2c1)c3c(C)cc4C(=O)C=CC(=O)c4c3O,non-mutagenic -98151-91-8,O[C@H]1C=Cc2cc3ccc4c(ccc5ccc(c2[C@@H]1O)c3c45)[N+](=O)[O-],mutagenic -205-82-3,c1ccc2c3c(ccc2c1)c4cccc5cccc3c45,mutagenic -127072-59-7,CC\C=C\C=C\C=C\C=C\C=C\SCC(O)CO,non-mutagenic -5496-41-3,COc1ccc(cc1OC)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic -92134-95-7,CC(O)C(O)C(O)C(O)C1SCCN1N=O,non-mutagenic -1929-73-3,CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic -10453-89-1,CC(=CC1C(C(=O)O)C1(C)C)C,non-mutagenic -935-95-5,Oc1c(Cl)c(Cl)cc(Cl)c1Cl,non-mutagenic -30560-19-1,COP(=O)(NC(=O)C)SC,non-mutagenic -230-46-6,c1cnc2c(c1)ccc3ncccc23,mutagenic -1928-38-7,COC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic -480-22-8,Oc1cccc2cc3cccc(O)c3c(O)c12,non-mutagenic -4394-00-7,OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,non-mutagenic -5632-47-3,O=NN1CCNCC1,mutagenic -135294-98-3,BrCc1ccc2c3ccccc3c4cccc1c24,mutagenic -75-34-3,CC(Cl)Cl,non-mutagenic -75888-03-8,[O-][N+](=O)c1oc(\C=N\N2CCCNC2=O)cc1,mutagenic -1504-74-1,COc1ccccc1\C=C/C=O,mutagenic -703-83-3,CCNc1snc2ccccc12,non-mutagenic -70092-13-6,Cc1c2ccccc2c(C)c3c4C=CC(=O)C(=O)c4ccc13,non-mutagenic -3930-20-9,CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,non-mutagenic -75996-85-9,CCOC(=O)Cc1c(C(=O)O)c2ccccc2n1C,non-mutagenic -61691-82-5,COc1ccc(cc1)[C@H](OC(=O)C)C=C,mutagenic -10088-95-6,C\C=C\C1=CC2=C(C(=O)O1)C(=O)C(O)C(C)O2,non-mutagenic -431-03-8,CC(=O)C(=O)C,mutagenic -92433-40-4,CC(=O)Nc1cc2Cc3ccccc3c2cc1Cl,mutagenic -110-16-7,OC(=O)\C=C/C(=O)O,non-mutagenic -33704-61-9,CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,non-mutagenic -109-70-6,ClCCCBr,mutagenic -60-80-0,CN1N(C(=O)C=C1C)c2ccccc2,non-mutagenic -68688-84-6,CC1(O)C=Cc2cc3c(ccc4ccccc34)c5CCC1(O)c25,mutagenic -108-68-9,Cc1cc(C)cc(O)c1,non-mutagenic -91626-52-7,CS(=O)(=O)N1N=CC(=C(Cl)C1=O)Cl,mutagenic -95-33-0,C1CCC(CC1)NSc2nc3ccccc3s2,non-mutagenic -73198-02-4,OCC1NC(Cc2c1[nH]c3ccccc23)C(=O)O,non-mutagenic -60971-98-4,COC(=O)C1=C(C)C(C)(O)OC1=O,non-mutagenic -16239-84-2,Nc1nc(\C=C/c2oc(cc2)[N+](=O)[O-])cs1,mutagenic -89459-25-6,CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12,mutagenic -108-70-3,Clc1cc(Cl)cc(Cl)c1,non-mutagenic -24934-91-6,CCOP(=S)(OCC)SCCl,non-mutagenic -580-18-7,Oc1cnc2ccccc2c1,non-mutagenic -71-41-0,CCCCCO,non-mutagenic -160543-14-6,Cc1c2ccc3C(O)C(O)C=Cc3c2nc4ccc(CO)cc14,mutagenic -1953-54-4,Oc1ccc2[nH]ccc2c1,non-mutagenic -15012-61-0,CCC1=C(OC)C(=O)c2c(O)c(OC)c(OC)c(O)c2C1=O,non-mutagenic -144-80-9,CC(=O)NS(=O)(=O)c1ccc(N)cc1,non-mutagenic -24085-03-8,CC(C)(C)N(CC(O)c1ccc(O)c(CO)c1)Cc2ccccc2,mutagenic -1769-41-1,O\N=C\C(=O)Nc1ccccc1,non-mutagenic -6653-71-0,CC(Br)C(=O)NCc1ccccc1,mutagenic -198-55-0,c1cc2cccc3c4cccc5cccc(c(c1)c23)c45,mutagenic -578-95-0,Oc1c2ccccc2nc3ccccc13,non-mutagenic -138805-33-1,CC(=O)Nc1ccc(C)c(c1)N=Nc2cc(NC(=O)C)ccc2C,non-mutagenic -24684-56-8,Cc1cc2C(=O)[C@@H](O)Cc2c3ccc4ccccc4c13,mutagenic -119-34-6,Nc1ccc(O)c(c1)[N+](=O)[O-],mutagenic -75-05-8,CC#N,non-mutagenic -2304-85-0,O=C1C=Cc2ccc3C=CC(=O)c4ccc1c2c34,mutagenic -84-88-8,Oc1ccc(c2cccnc12)S(=O)(=O)O,mutagenic -110417-88-4,CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc2ccccc2)c3nccs3)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C,non-mutagenic -112368-27-1,Clc1ccc(N2C(=O)CCC2=O)c(Cl)c1Cl,non-mutagenic -29975-16-4,Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,non-mutagenic -96614-59-4,NC(CCC(=O)NC(CS\C(=C\Cl)\Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic -25168-26-7,CC(C)CCCCCOC(=O)Cc1ccc(Cl)cc1Cl,non-mutagenic -4436-24-2,C(C1CO1)c2ccccc2,mutagenic -NOCAS_M123,N[C@@H](CS\C(=C\Cl)\Cl)C(=O)O,mutagenic -131-17-9,C=CCOC(=O)c1ccccc1C(=O)OCC=C,non-mutagenic -709-98-8,CCC(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic -3351-30-2,Cc1cccc2ccc3c4ccccc4ccc3c12,mutagenic -7350-43-8,CC(=O)Nc1nc(\C=C/c2oc(cc2)[N+](=O)[O-])cs1,mutagenic -86-86-2,NC(=O)Cc1cccc2ccccc12,mutagenic -21314-05-6,Nc1ncnc2c1ncn2c3ccc(cc3)[N+](=O)[O-],mutagenic -146177-57-3,Cc1cc2c(nc(N)n2C)c3nccnc13,mutagenic -15545-48-9,CN(C)C(=O)Nc1ccc(C)c(Cl)c1,non-mutagenic -NOCAS_M219,O[C@H]1C=Cc2cc3c(cc2[C@@H]1O)c4cccc5cccc3c45,mutagenic -16709-86-7,C[Si](C)(CCl)C=C,non-mutagenic -60448-19-3,O1[C@@H]2[C@H]1c3cccc4ccc5cc6ccccc6c2c5c34,mutagenic -620-25-7,Cc1cccc(NO)c1,mutagenic -122-34-9,CCNc1nc(Cl)nc(NCC)n1,non-mutagenic -121958-18-7,C1CC2CCc3ccccc3C24OC4C1,non-mutagenic -1943-79-9,CNC(=O)Oc1ccccc1,non-mutagenic -77-09-8,Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,non-mutagenic -1198-61-4,Fc1c(F)c(Cl)c(F)c(Cl)c1F,non-mutagenic -1520-21-4,Nc1ccc(C=C)cc1,mutagenic -50-55-5,CO[C@H]1[C@@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,non-mutagenic -920-66-1,OC(C(F)(F)F)C(F)(F)F,non-mutagenic -136112-72-6,[O-][N+](=O)c1ccc(Nc2ncnc3c2ncn3c4ccc(cc4)[N+](=O)[O-])cc1,mutagenic -3032-55-1,CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic -27969-93-3,Cc1cccc(C)c1N=Nc2c(O)ccc3ccccc23,non-mutagenic -28921-94-0,C\C=C\C1OC(=O)C=CC1O,non-mutagenic -610-30-0,OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -505-23-7,C1CSCSC1,mutagenic -1552-42-7,CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,non-mutagenic -530-52-9,Oc1c2ccoc2nc3ccccc13,non-mutagenic -107027-12-3,CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccccc3,mutagenic -158321-20-1,Nc1ccc2c3ccccc3[nH]c2c1[N+](=O)[O-],mutagenic -622-20-8,C(CSc1ccccc1)Sc2ccccc2,non-mutagenic -723-46-6,Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,non-mutagenic -50880-65-4,Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic -5401-94-5,[O-][N+](=O)c1ccc2[nH]ncc2c1,mutagenic -28920-43-6,ClC(=O)OCC1c2ccccc2c3ccccc13,mutagenic -81851-68-5,Cc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic -76014-81-8,CN(CCCC(O)c1cccnc1)N=O,mutagenic -32588-76-4,Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,non-mutagenic -60129-60-4,CC12CCCC(C)(C1CCC34CC(=C)C(CCC23)(C4)OC5OC(CO)C(O)C(O)C5O)C(=O)O,mutagenic -55556-94-0,C[C@H]1CN(CCN1N=O)N=O,mutagenic -110-86-1,c1ccncc1,non-mutagenic -107-04-0,ClCCBr,mutagenic -191-07-1,c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27,mutagenic -99-33-2,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,mutagenic -610-66-2,[O-][N+](=O)c1ccccc1CC#N,mutagenic -34866-46-1,CC(C)(C)NCC(O)c1ccc(O)c(NC(=O)N)c1,non-mutagenic -106-22-9,CC(CCO)CCC=C(C)C,non-mutagenic -478-08-0,OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -141-78-6,CCOC(=O)C,non-mutagenic -5461-85-8,CC(C)CN(N=O)C(=N)N[N+](=O)[O-],mutagenic -87-51-4,OC(=O)Cc1c[nH]c2ccccc12,non-mutagenic -695-99-8,ClC1=CC(=O)C=CC1=O,non-mutagenic -100-14-1,[O-][N+](=O)c1ccc(CCl)cc1,mutagenic -107-12-0,CCC#N,non-mutagenic -153260-26-5,CC(=O)Nc1nc2C3=CCCN(CC=C)C3CCc2s1,non-mutagenic -52748-31-9,O1C=CC2OC2C=C1,non-mutagenic -147293-13-8,Cn1c(N)nc2c3ncccc3ccc12,mutagenic -24815-24-5,CO[C@H]1[C@@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6,non-mutagenic -56211-40-6,CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2,non-mutagenic -4741-24-6,O1OC2c3ccccc3C1c4ccccc24,non-mutagenic -94500-46-6,ClCc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic -110-69-0,CCC\C=N/O,mutagenic -15403-45-9,COC(=O)c1cc(ccc1N)c2ccc(N)c(c2)C(=O)OC,mutagenic -1646-75-9,CSC(C)(C)\C=N/O,non-mutagenic -16400-63-8,ClCC(=C)Br,mutagenic -216-48-8,C1=Cc2cc3c4ccccc4ccc3c5cccc1c25,mutagenic -NOCAS_M367,BrC[C@@H](Br)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1,non-mutagenic -95-16-9,c1ccc2scnc2c1,non-mutagenic -117-82-8,COCCOC(=O)c1ccccc1C(=O)OCCOC,mutagenic -26196-04-3,COC1OC1(C)C,mutagenic -85048-96-0,OCC1OC(O)C(O)C(Op2(OC3C(O)C(O)OC(CO)C3O)np(OC4C(O)C(O)OC(CO)C4O)(OC5C(O)C(O)OC(CO)C5O)np(OC6C(O)C(O)OC(CO)C6O)(OC7C(O)C(O)OC(CO)C7O)n2)C1O,non-mutagenic -98640-42-7,CC(=O)NC(CS\C(=C(/F)\C(F)(F)F)\F)C(=O)O,non-mutagenic -29814-12-8,CC(C)OC1OC(=O)C(=C1Cl)Cl,mutagenic -1874-24-4,COC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -88652-48-6,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)O,non-mutagenic -21232-47-3,[O-][N+](=Nc1ccc(Cl)c(Cl)c1)c2ccc(Cl)c(Cl)c2,non-mutagenic -NOCAS_M395,O[C@@H]1CO[C@@](O)(CN(CC(=O)O)N=O)[C@H](O)[C@@H]1O,non-mutagenic -127-69-5,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,non-mutagenic -3958-57-4,[O-][N+](=O)c1cccc(CBr)c1,non-mutagenic -20861-99-8,C1O[C@@H]1c2ccc3ccccc3c2,mutagenic -40297-54-9,OCC1OC(C(O)C1O)n2cnc3c(NCc4ccc(cc4)[N+](=O)[O-])ncnc23,mutagenic -78865-83-5,CCCCCCCCCCSCn1cc[n+](C)c1,mutagenic -142741-10-4,Cc1nc(cc2c3cc(cc(c3[nH]c12)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic -131-14-6,Nc1ccc2C(=O)c3cc(N)ccc3C(=O)c2c1,mutagenic -108043-88-5,Cn1c(N)nc2c3ccc(O)nc3ccc12,mutagenic -5598-13-0,COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic -507-19-7,CC(C)(C)Br,mutagenic -124340-47-2,CN(C)CCNC(=O)c1cccc2[nH]c(nc12)c3ccccc3,mutagenic -129833-02-9,CC(=O)C1(C)OC12C=Cc3ccccc3C2=O,non-mutagenic -959-33-1,COc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic -100772-18-7,CC(CCC(=O)O)C1CCC2C3CCc4cc(O)ccc4C3CCC12C,non-mutagenic -109-55-7,CN(C)CCCN,non-mutagenic -31688-71-8,CC(=O)OCc1c2ccccc2c(C)c3ccccc13,mutagenic -60262-82-0,OC1C(Oc2ccc3ccc4cc5ccccc5c6ccc2c3c46)OC(C(O)C1O)C(=O)O,non-mutagenic -41044-12-6,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C,non-mutagenic -20153-98-4,COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2,non-mutagenic -24424-99-5,CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,non-mutagenic -24554-26-5,[O-][N+](=O)c1oc(cc1)c2csc(NC=O)n2,mutagenic -23452-05-3,COc1cc(O)c2C(=O)Oc3cc(O)cc(C)c3c2c1,non-mutagenic -125-46-2,CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,non-mutagenic -25635-22-7,CCOC(=O)c1cccc2cccnc12,non-mutagenic -120-22-9,CCN(CC)c1ccc(cc1)N=O,mutagenic -52101-40-3,OC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic -528-29-0,[O-][N+](=O)c1ccccc1[N+](=O)[O-],mutagenic -4337-65-9,CCCC[C@@H](CC)COC(=O)CCCCC(=O)O,non-mutagenic -9003-39-8,C=CN1CCCC1=O,non-mutagenic -118-71-8,CC1=C(O)C(=O)C=CO1,mutagenic -580-22-3,Nc1ccc2ccccc2n1,mutagenic -94-59-7,C=CCc1ccc2OCOc2c1,non-mutagenic -123-91-1,C1COCCO1,non-mutagenic -110933-34-1,Cc1c2ccccc2c(COS(=O)(=O)O)c3ccc4ccccc4c13,mutagenic -120-36-5,CC(Oc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic -76215-00-4,CC(=O)OCN(CCCl)N=O,mutagenic -35483-50-2,COC(=O)CC1Cc2cc3cc(OC)c(c(O)c3c(O)c2C(=O)O1)c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC,non-mutagenic -33942-93-7,Cc1ccc2nc3c(ccc4ccccc34)cc2c1,mutagenic -612-83-9,Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,mutagenic -79243-67-7,CCCC1(O)CCC2C3CCC4CC(=O)CC(C)C4(C)C3CCC12C,non-mutagenic -80-40-0,CCOS(=O)(=O)c1ccc(C)cc1,mutagenic -108-24-7,CC(=O)OC(=O)C,non-mutagenic -7132-67-4,Nc1c2ccccc2nc3ccc(O)cc13,mutagenic -15176-29-1,CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,non-mutagenic -2453-44-3,O=C(\C=C\c1ccccc1)c2ccc(cc2)c3ccccc3,non-mutagenic -24684-49-9,COc1cc2c3CCC(=O)c3cc(C)c2c4ccccc14,mutagenic -533-31-3,Oc1ccc2OCOc2c1,non-mutagenic -91-22-5,c1ccc2ncccc2c1,mutagenic -21919-05-1,NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -NOCAS_M209,CC(=C)C(=O)OC[C@H](Br)CBr,mutagenic -NOCAS_M425,CC\C=C\[C@@H](CC)C=O,non-mutagenic -49852-84-8,ClCc1c2ccccc2c3ccc4cccc5ccc1c3c45,non-mutagenic -101-83-7,C1CCC(CC1)NC2CCCCC2,non-mutagenic -99026-65-0,CC(=O)Nc1cc(O)c2ccc3cccc4ccc1c2c34,mutagenic -619-67-0,NNc1ccc(cc1)C(=O)O,non-mutagenic -81593-13-7,CCOP(=O)(OCC)N1C2C1c3ccccc3c4ccccc24,mutagenic -2363-23-7,CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -29122-68-7,CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,non-mutagenic -620-22-4,Cc1cccc(c1)C#N,non-mutagenic -506-21-8,CCCCC\C=C\C\C=C\CCCCCCCC(=O)O,non-mutagenic -96-34-4,COC(=O)CCl,non-mutagenic -535-80-8,OC(=O)c1cccc(Cl)c1,non-mutagenic -106-46-7,Clc1ccc(Cl)cc1,non-mutagenic -146724-31-4,OCc1cc2ccc3cccnc3c2[nH]1,non-mutagenic -23255-93-8,CCN(CC)CCNc1ccc(COS(=O)(=O)C)c2Sc3ccccc3C(=O)c12,mutagenic -153654-35-4,Oc1ccc2c3ccccc3[nH]c2c1[N+](=O)[O-],non-mutagenic -874-42-0,Clc1ccc(C=O)c(Cl)c1,non-mutagenic -74339-99-4,Oc1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic -609-65-4,ClC(=O)c1ccccc1Cl,mutagenic -312304-87-3,CC(=O)OCN(CCCCl)N=O,mutagenic -NOCAS_M38,COc1cc(O)c2C(=O)c3c(OC)cc4O[C@@H]5OC=C[C@H]5c4c3Oc2c1OC,mutagenic -77784-21-5,COc1ccc2c(cc3N(C)C(=O)C(=O)c4cc5OCOc5c2c34)c1OC,mutagenic -56803-37-3,CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic -NOCAS_M236,C[C@@H](Br)CBr,mutagenic -4569-77-1,Nc1cc2nc3ccccc3nc2cc1O,mutagenic -6111-78-0,Cc1cccc2cc3ccc4ccccc4c3cc12,mutagenic -34549-30-9,OCC(CO)(CCBr)CCBr,mutagenic -76-03-9,OC(=O)C(Cl)(Cl)Cl,non-mutagenic -130965-73-0,OS(=O)(=O)OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic -7473-93-0,[O-][N+](=O)c1ccccc1\C=C\C(=O)c2ccccc2,non-mutagenic -2429-73-4,Nc1ccc2cc(c(N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(O)c2c1)S(=O)(=O)O,mutagenic -NOCAS_M563,CCCCCCCCCC[C@H]1CO1,non-mutagenic -129176-04-1,ClC1OC1CBr,mutagenic -28804-88-8,Cc1ccc2ccccc2c1C,non-mutagenic -119-93-7,Cc1cc(ccc1N)c2ccc(N)c(C)c2,mutagenic -50-06-6,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,mutagenic -5397-37-5,[O-][N+](=O)c1ccc2Cc3ccccc3c2c1,mutagenic -4809-35-2,CC(C)(c1ccc(OCC(O)CCl)cc1)c2ccc(OCC(O)CCl)cc2,non-mutagenic -786-66-3,O=C1CCc2c1ccc3c2ccc4ccccc34,mutagenic -484-47-9,c1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic -111380-09-7,Cn1cnc(N=O)c1c2ccccc2,mutagenic -95307-47-4,CC12CCCC(C)(C1CCC34CC(O)(CCC23)C(=C)C4O)C(=O)O,non-mutagenic -18031-40-8,CC(=C)C1CCC(=CC1)C=O,non-mutagenic -87-86-5,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -139953-96-1,CC\C=C\C=C\C=C\C=C\C=C\OCCCO,mutagenic -774-15-2,CC(C)Nc1snc2ccccc12,non-mutagenic -51410-45-8,COc1ccc(CC2CO2)cc1,mutagenic -23590-73-0,NNc1nncc2cccnc12,mutagenic -91-68-9,CCN(CC)c1cccc(O)c1,mutagenic -924-42-5,OCNC(=O)C=C,non-mutagenic -125239-64-7,COc1cc2nc3cc(N)c(OC)cc3nc2cc1N,mutagenic -98046-74-3,Cc1cccn2c1nc3c(C)c(cnc23)[N+](=O)[O-],mutagenic -4291-30-9,Oc1c(cccc1[N+](=O)[O-])c2ccccc2,non-mutagenic -619-73-8,OCc1ccc(cc1)[N+](=O)[O-],non-mutagenic -68906-23-0,Clc1cc(Cl)c(Oc2ccc(NC=O)cc2)c(Cl)c1,mutagenic -113124-69-9,COC1=CC(=O)c2c([nH]cc3c4CCCCc4nc23)C1=O,mutagenic -90147-18-5,CCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -1070-13-9,CCCC(=C)C=O,mutagenic -75-31-0,CC(C)N,non-mutagenic -82486-82-6,CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic -4698-96-8,C(Oc1ccc(cc1)c2ccccc2)C3CO3,mutagenic -1477-42-5,Cc1cccc2sc(N)nc12,non-mutagenic -14625-58-2,Cc1cccc(c1)c2oc3ccccc3n2,non-mutagenic -99601-31-7,CCn1c(N)nc2c3nc(C)cnc3ccc12,mutagenic -NOCAS_M108,O=C1N(C[C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]4CO4,mutagenic -86853-91-0,O=C1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -7059-24-7,COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)C)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,non-mutagenic -99601-33-9,CCn1c(N)nc2c3cccnc3ccc12,mutagenic -13838-16-9,FC(F)OC(F)(F)C(F)Cl,non-mutagenic -29086-39-3,Cl\C=C(/Cl)\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -90509-02-7,COC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1,non-mutagenic -110783-84-1,COc1cc(N)cc(OC)c1N,non-mutagenic -148174-24-7,ClCCCC(=O)\N=C\1/SN(C(=O)CCCCl)c2ccccc12,non-mutagenic -594-20-7,CC(C)(Cl)Cl,non-mutagenic -NOCAS_M15,CCOC(=O)[C@@H](C)C[C@](C)(C[C@H](C[C@@](C)(C[C@@H](C[C@](C)(CC)C(=O)O)C(=O)OCC)C(=O)O)C(=O)OCC)C(=O)O,mutagenic -13014-24-9,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,mutagenic -540-80-7,CC(C)(C)ON=O,mutagenic -104-91-6,Oc1ccc(cc1)N=O,mutagenic -62450-07-1,CC1=NC(=C[C@H]2[C@@H]1Nc3ccccc23)N,mutagenic -2318-18-5,C\C=C\1/CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O,mutagenic -84-79-7,CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,non-mutagenic -481-73-2,OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,mutagenic -26306-61-6,Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,mutagenic -132898-07-8,Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13,mutagenic -99240-68-3,CC(=O)Nc1cc2Cc3ccccc3c2cc1OC(=O)c4ccccc4,non-mutagenic -26078-25-1,CCNc1cc2OC(=O)C=C(C)c2cc1C,non-mutagenic -88381-44-6,OC(=O)C1CSCN1N=O,non-mutagenic -1122-58-3,CN(C)c1ccncc1,non-mutagenic -61421-83-8,Oc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic -50330-59-1,CN(C)C(=O)c1nc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n2n1,non-mutagenic -68-11-1,OC(=O)CS,non-mutagenic -538-23-8,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,mutagenic -5466-84-2,[O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,mutagenic -NOCAS_M2,NC(=O)C[C@H]1CO1,mutagenic -19408-84-5,COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,mutagenic -NOCAS_M496,O[C@H](C#N)c1ccccc1,non-mutagenic -50502-17-5,CC(=O)Nc1ccc2ccccc2n1,non-mutagenic -80-71-7,CC1=C(O)C(=O)CC1,non-mutagenic -110-30-5,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,non-mutagenic -56-05-3,Nc1nc(Cl)cc(Cl)n1,non-mutagenic -41533-75-9,[O-][N+](=O)c1cccc2c(Cl)nsc12,mutagenic -173450-37-8,CCN(CC)C(=O)c1cc(Cc2ccc(N)c(c2)C(=O)N(CC)CC)ccc1N,non-mutagenic -24752-66-7,CC(Cl)C(=O)NCc1ccccc1,non-mutagenic -67-99-2,CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3,non-mutagenic -632-99-5,Cc1cc(ccc1N)C(=C2C=CC(N)C=C2)c3ccc(N)cc3,mutagenic -7330-46-3,Nc1ccc(Cc2ccc(N)c(c2)C(=O)O)cc1C(=O)O,non-mutagenic -34627-78-6,CC(=O)O[C@H](C=C)c1ccc2OCOc2c1,mutagenic -100527-20-6,[O-][N+](=O)c1ccc2ccc3ccc(cc3c2c1)[N+](=O)[O-],mutagenic -119169-78-7,CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(CCC4(C)C3CCC12C)C(=O)O,non-mutagenic -100325-51-7,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(c(F)c12)c3ccncc3,non-mutagenic -94500-43-3,OCc1cc2c3ccccc3cc4ccc5cccc1c5c24,non-mutagenic -583-78-8,Oc1cc(Cl)ccc1Cl,non-mutagenic -16311-38-9,[O-][N+](=O)c1ccc(cc1)c2nc3sccn3c2[N+](=O)[O-],mutagenic -16561-29-8,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@]3(O)[C@H]2C=C(C)C3=O)[C@H]4C(C)(C)[C@@]14OC(=O)C,non-mutagenic -136379-59-4,CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCCCC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic -19057-60-4,CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic -286-75-9,C1CC2OC2CCC3OC13,non-mutagenic -38707-70-9,O=Cc1cccc2cccnc12,mutagenic -1817-73-8,Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic -3387-36-8,OC1C(O)C(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O,non-mutagenic -4568-36-9,Oc1c(Cl)cc(Cl)cc1S(=O)(=O)c2cc(Cl)cc(Cl)c2O,non-mutagenic -133762-80-8,CC1=CN(CC(O)CN=N#N)C(=O)NC1=O,mutagenic -95-64-7,Cc1ccc(N)cc1C,mutagenic -71-58-9,CC1CC2C(CCC3(C)C2CCC3(OC(=O)C)C(=O)C)C4(C)CCC(=O)C=C14,non-mutagenic -492-27-3,OC(=O)c1cc(O)c2ccccc2n1,non-mutagenic -138245-73-5,OC(CN=N#N)C(O)C(O)C(O)C(=O)O,mutagenic -117135-59-8,CCCCN=NC(C)(C)OO,mutagenic -304-81-4,[O-][n+]1c2ccccc2nc3ccccc13,mutagenic -110419-21-1,[O-][N+](=O)c1cc(c2cccc3c4ccccc4c1c23)[N+](=O)[O-],mutagenic -NOCAS_M262,CN1c2ccccc2C(=O)c3c(O)cc4O[C@H](Cc4c13)C(=C)C,mutagenic -3930-19-6,COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O,mutagenic -17233-93-1,CC(C)[C@@](O)([C@@H](C)O)C(=O)O,non-mutagenic -NOCAS_M322,OC(=O)C1=NN(C(=O)[C@H]1N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)S(=O)(=O)O,non-mutagenic -142438-61-7,NC(=O)C12OC1C(O)(NC2=O)c3ccccc3,non-mutagenic -2814-77-9,Oc1ccc2ccccc2c1N=Nc3ccc(cc3Cl)[N+](=O)[O-],mutagenic -91598-92-4,CC(=O)Nc1ccc2ccc3ccc(O)c4ccc1c2c34,mutagenic -92-94-4,c1ccc(cc1)c2ccc(cc2)c3ccccc3,non-mutagenic -NOCAS_M348,CCCC[C@@H](CC)COS(=O)(=O)O,non-mutagenic -110-00-9,o1cccc1,non-mutagenic -71382-50-8,N1C2C1c3cc4ccccc4c5ccc6cccc2c6c35,mutagenic -123392-56-3,NC(CCC(=O)NC(CSC(=O)NCCO)C(=O)NCC(=O)O)C(=O)O,non-mutagenic -68743-68-0,CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,mutagenic -7213-98-1,CC(=O)Nc1cc2Cc3ccccc3c2cc1OC(=O)C,non-mutagenic -89930-59-6,CCCn1cc2CC3C(C=C(C)CN3C)c4cccc1c24,mutagenic -2980-32-7,Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1,mutagenic -631-64-1,OC(=O)C(Br)Br,mutagenic -38412-38-3,Cc1ccc(cc1S(=O)(=O)O)N=Nc2c(O)c(cc3ccccc23)C(=O)O,non-mutagenic -38915-49-0,NCCN(CCCl)c1c2ccccc2nc3c1ccc4ccccc34,mutagenic -62641-66-1,O=NN1CCCNC1=O,mutagenic -102-08-9,S=C(Nc1ccccc1)Nc2ccccc2,non-mutagenic -1421-63-2,CCCC(=O)c1cc(O)c(O)cc1O,mutagenic -112022-08-9,CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Oc12,mutagenic -604-35-3,CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C,non-mutagenic -79-81-2,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,non-mutagenic -111238-10-9,Cc1c2ccccc2cc3ccc4C(=O)C(=O)C=Cc4c13,mutagenic -121111-61-3,COc1ccc(cc1OC)c2nc(c3ccc(C)cc3)c([nH]2)c4ccc(C)cc4,mutagenic -66931-57-5,C(OCc1cccc2ccccc12)C3CO3,mutagenic -504-88-1,OC(=O)CC[N+](=O)[O-],mutagenic -63041-90-7,[O-][N+](=O)c1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -90421-84-4,O=C1N(CC2CO2)Sc3ccccc13,non-mutagenic -6957-71-7,O=CNc1ccc2c(Cc3ccccc23)c1,mutagenic -133502-50-8,CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C,non-mutagenic -25917-89-9,Cc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic -1198-27-2,Nc1c(O)ccc2ccccc12,non-mutagenic -35142-05-3,COc1cccc2c1ccc3c(cc4OCOc4c23)C(=O)O,mutagenic -87919-37-7,CN(CCO)C(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic -99601-32-8,CCn1c(N)nc2c3cccnc3cc(C)c12,mutagenic -75605-59-3,C[n+]1c2ccccc2cc3c(N)cccc13,mutagenic -147151-67-5,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic -131862-18-5,CN(C)CCNC(=O)c1ccc2ccc3cccnc3c2n1,mutagenic -85-48-3,OS(=O)(=O)c1cccc2cccnc12,non-mutagenic -24903-46-6,c1ccc2c(c1)ccc3cc4ccc5ccncc5c4cc23,mutagenic -70-54-2,NCCCCC(N)C(=O)O,mutagenic -10549-22-1,[O-][N+](=O)c1cc2CCc3cccc4CCc(c1)c2c34,mutagenic -18873-03-5,COc1ccc(cc1)C(=O)C2OC2c3ccccc3,non-mutagenic -507-55-1,FC(Cl)C(F)(F)C(F)(F)Cl,non-mutagenic -52819-96-2,COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(C(O)CC5=O)c14,mutagenic -56299-00-4,CC1C(OC(=O)C)C2OC2C3=CC(=O)C4(CC13C)OC4(C)C=O,mutagenic -121111-59-9,Cc1ccc(cc1)c2nc([nH]c2c3ccc(C)cc3)c4ccc(C)cc4C,mutagenic -86674-49-9,Oc1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic -7068-83-9,CCCCN(C)N=O,mutagenic -39093-14-6,COc1cc(C)cc2C(=O)C(=CC(=O)c12)c3c(C)cc4C(=O)C=CC(=O)c4c3OC,non-mutagenic -98-01-1,O=Cc1occc1,mutagenic -4245-77-6,CCN(N=O)C(=N)N[N+](=O)[O-],mutagenic -90301-92-1,Cl\C=C\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic -609-19-8,Oc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic -23184-66-9,CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,mutagenic -2244-21-5,ON1CN(Cl)CN(Cl)C1,non-mutagenic -NOCAS_M509,CCCC[C@@H](CC)C=O,non-mutagenic -55557-02-3,COC(=O)C1=CCCN(C1)N=O,mutagenic -36097-31-1,CN(CCO)C(=O)Nc1ccccc1,non-mutagenic -640-15-3,CCSCCSP(=S)(OC)OC,non-mutagenic -71989-02-1,Cc1c2ccccc2cc3c4C=CC(=O)C(=O)c4ccc13,mutagenic -13523-86-9,CC(C)NCC(O)COc1cccc2[nH]ccc12,non-mutagenic -60657-25-2,OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O,mutagenic -10540-29-1,CC\C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)\c3ccccc3,non-mutagenic -548-39-0,O=C1C=Cc2cccc3cccc1c23,mutagenic -18774-85-1,CCCCCCN(N=O)C(=O)N,mutagenic -97-63-2,CCOC(=O)C(=C)C,non-mutagenic -26780-96-1,CC1C(C)(C)Nc2ccccc2C1(C)C3C(C)(C)Nc4ccccc4C3(C)C,non-mutagenic -2687-40-3,CC(=O)Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -57-47-6,CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1,non-mutagenic -619-72-7,[O-][N+](=O)c1ccc(cc1)C#N,non-mutagenic -768-52-5,CC(C)Nc1ccccc1,non-mutagenic -113698-23-0,Cc1nc2C(=O)C(=CC(=O)c2c3[nH]c4ccccc4c13)N5CC5,mutagenic -2466-76-4,CC(=O)n1ccnc1,non-mutagenic -NOCAS_M573,CC1(C)C[C@H](C[C@](C)(CN=C=O)C1)N=C=O,non-mutagenic -147293-15-0,Cn1c(N)nc2c3ccncc3ccc12,mutagenic -5392-40-5,CC(=CCC\C(=C/C=O)\C)C,non-mutagenic -114899-77-3,COc1cc2c(CCN[C@]23CSC4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O,mutagenic -962-32-3,O1C2C1c3cc4ccccc4cc3c5ccccc25,mutagenic -199536-79-3,BrC(Br)C1=C(Br)C(=O)OC1,mutagenic -89925-00-8,CC1(CO1)C(=O)N,mutagenic -122-39-4,N(c1ccccc1)c2ccccc2,non-mutagenic -105708-80-3,OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic -67151-57-9,Cc1ccc(cc1N=[N+]([O-])c2cc(ccc2C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -NOCAS_M132,C[C@@H]1CNC(=O)N1c2ncc(s2)[N+](=O)[O-],mutagenic -NOCAS_M571,CCCC[C@@H](CC)COP(=O)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC,non-mutagenic -105-11-3,ONc1ccc(cc1)N=O,mutagenic -51489-62-4,Clc1ccc(Oc2ccc(NC=O)cc2)cc1,mutagenic -125974-08-5,OC1OC(=O)C(=C1CCl)Cl,mutagenic -82-62-2,Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-],non-mutagenic -550-60-7,Oc1ccc2ccccc2c1[N+](=O)[O-],mutagenic -56-38-2,CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic -79642-27-6,Nc1[nH]ccc2nc3ccccc3c12,mutagenic -64091-91-4,CN(CCCC(=O)c1cccnc1)N=O,mutagenic -609-15-4,CCOC(=O)C(Cl)C(=O)C,non-mutagenic -129812-26-6,CC1=CC(=O)Oc2ccc3OC4(C)OOC4(C)c3c12,mutagenic -538-75-0,C1CCC(CC1)N=C=NC2CCCCC2,non-mutagenic -473-55-2,CC1CCC2CC1C2(C)C,non-mutagenic -132934-48-6,[O-][N+](=O)c1cccc2c1ncc3cnc4ccccc4c23,mutagenic -91-53-2,CCOc1ccc2NC(C)(C)C=C(C)c2c1,non-mutagenic -42373-04-6,C[n+]1ccsc1N=Nc2c(c3ccccc3)n(C)c4ccccc24,mutagenic -50-33-9,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,non-mutagenic -34237-98-4,Nc1ccc(cc1Br)c2ccc(N)c(Br)c2,mutagenic -15687-27-1,CC(C)Cc1ccc(cc1)C(C)C(=O)O,non-mutagenic -16354-55-5,CCc1c2ccccc2c(C)c3ccc4ccccc4c13,non-mutagenic -1836-75-5,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic -51-43-4,CNCC(O)c1ccc(O)c(O)c1,non-mutagenic -109-08-0,Cc1cnccn1,non-mutagenic -61695-73-6,C1O[C@@H]1c2c3ccccc3cc4ccccc24,mutagenic -230-27-3,c1ccc2c(c1)ccc3cccnc23,mutagenic -135-88-6,N(c1ccccc1)c2ccc3ccccc3c2,non-mutagenic -58329-89-8,Cc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO,non-mutagenic -106807-80-1,CNC(=O)N(O)C(=O)C,mutagenic -50-27-1,CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O,non-mutagenic -994-05-8,CCC(C)(C)OC,non-mutagenic -1576-87-0,CC\C=C\C=O,mutagenic -589-18-4,Cc1ccc(CO)cc1,non-mutagenic -131229-62-4,CCCCON(OC(=O)C)C(=O)c1ccc(Cl)cc1,mutagenic -155603-50-2,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)O,non-mutagenic -NOCAS_M305,CO[C@@H]1C[C@](C)(O)Cc2cc3C(=O)c4c5O[C@@H]6O[C@@](C)([C@H](O)[C@H]([C@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12,mutagenic -121-32-4,CCOc1cc(C=O)ccc1O,non-mutagenic -62902-12-9,CNc1ccc(cc1)C(=C2C=CC(=NC)C=C2)c3ccc(cc3)N(C)C,non-mutagenic -103554-58-1,CN(C)CCNC(=O)c1cccc2c(O)c3ccccc3nc12,mutagenic -42579-28-2,O=NN1CC(=O)NC1=O,mutagenic -95152-79-7,Cc1cn2c(c(nc2s1)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-],mutagenic -124-04-9,OC(=O)CCCCC(=O)O,non-mutagenic -57-06-7,C=CCN=C=S,mutagenic -518-28-5,COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,non-mutagenic -106-65-0,COC(=O)CCC(=O)OC,non-mutagenic -959-23-9,COc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic -28911-01-5,Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,non-mutagenic -149127-56-0,CN=NC(C)(C)OO,mutagenic -93-68-5,CC(=O)CC(=O)Nc1ccccc1C,non-mutagenic -155506-70-0,CCOC(=O)C1=C(C)N=C(C)C(=C(O)OCC2COC3(CCCC3)O2)C1c4cccc(Cl)c4,non-mutagenic -158470-95-2,CC1C2C(=Nc3ccc(C)cc23)N(C)c4ccc(C)cc14,mutagenic -139953-98-3,CC\C=C\C=C\C=C\C=C\C=C\OCC(O)c1ccccc1,mutagenic -77-90-7,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,non-mutagenic -389104-62-5,CC(C)c1cc(cc(C(C)C)c1N)c2ccccc2,non-mutagenic -142022-84-2,O=S1(=O)c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -220168-47-8,O=Cc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic -108893-58-9,CC1(C)CC2=C(C=O)C3(CC3(C)C(O)C2(O)C1)C=O,mutagenic -585-79-5,[O-][N+](=O)c1cccc(Br)c1,mutagenic -155144-64-2,Cc1cc(cc(C)n1)c2cc3N(C4CC4)C5=CC(=O)N(O)C(=O)N5c3cc2F,mutagenic -166546-23-2,CN1CCN(CC1)c2ccc3[nH]c(CCCCCCc4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl)nc3c2,non-mutagenic -157730-37-5,Cn1c(N)nc2nc3cccnc3cc12,non-mutagenic -25990-37-8,COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C[C@H](C(=C23)C)c4cocc4)[C@@H]5OC(=O)[C@]6(C)C=CC(=O)[C@@]1(C)C56,non-mutagenic -52315-07-8,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,non-mutagenic -94339-55-6,OC1CC=Cc2c1cc3ccc4cccc5ccc2c3c45,mutagenic -51410-44-7,COc1ccc(cc1)C(O)C=C,non-mutagenic -73391-96-5,CN(Cc1ccccc1)C(=O)CBr,non-mutagenic -580-16-5,Oc1ccc2ncccc2c1,non-mutagenic -75-15-0,S=C=S,non-mutagenic -2031-67-6,CCO[Si](C)(OCC)OCC,non-mutagenic -78281-06-8,ON(C=O)c1ccc(cc1)c2ccccc2,mutagenic -480-85-3,OCC1=CCN2CC[C@@H](O)[C@@H]12,non-mutagenic -143603-72-9,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(cc3)[N+](=O)[O-],mutagenic -111955-24-9,CC(=O)OC1COC(Nc2ccc(cc2)C(=O)O)C(OC(=O)C)C1OC(=O)C,non-mutagenic -759-73-9,CCN(N=O)C(=O)N,mutagenic -188970-77-6,[O-][N+](=O)c1cc2[nH]c3cc(c4ccccc4c3c2c5ccccc15)[N+](=O)[O-],mutagenic -13911-90-5,Cc1cccc2nc3c(ccc4ccccc34)cc12,mutagenic -55400-87-8,O1C2C1c3cc4c(cc3c5ccccc25)C6OC6c7ccccc47,mutagenic -464-10-8,[O-][N+](=O)C(Br)(Br)Br,mutagenic -68498-25-9,OCC1OC(CC1O)n2cnc3c2ncn4ccnc34,non-mutagenic -109-16-0,CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,non-mutagenic -82617-23-0,NC(=O)OC1CO1,mutagenic -158729-23-8,Clc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic -551-92-8,Cc1ncc([N+](=O)[O-])n1C,mutagenic -17026-81-2,CCOc1ccc(NC(=O)C)cc1N,mutagenic -103-83-3,CN(C)Cc1ccccc1,non-mutagenic -518-75-2,C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O,non-mutagenic -NOCAS_M441,CCCCCCCCCC\C=C\[C@H]1CC(=O)OC1=O,non-mutagenic -27032-78-6,O=C1NCNC(=O)N1,mutagenic -60-57-1,ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H]([C@H]5O[C@@H]45)[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic -161697-00-3,CNc1ccc2nc(C)c(C)nc2c1C,mutagenic -111205-70-0,COC(=O)c1oc(NO)c(c2ccccc2)c1c3ccccc3,non-mutagenic -143924-52-1,OC1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic -122587-23-9,COC(=O)c1oc(N)c(Cl)c1Cl,non-mutagenic -67902-33-4,C1CC2=CC3OC3C=C(C1)O2,non-mutagenic -97869-39-1,CC[N+](=NC)[O-],non-mutagenic -97534-21-9,O=C(Nc1ccccc1)C2C(=O)NC(=S)NC2=O,non-mutagenic -99346-51-7,CCCNc1c(C(=O)O)c(Cl)ccc1[N+](=O)[O-],non-mutagenic -217-59-4,c1ccc2c3ccccc3c4ccccc4c2c1,mutagenic -74014-51-0,CCCC(=O)OC1C(C)OC(CC1(C)OC(=O)CC)OC2C(C)OC(OC3C(CC=O)CC(C)C(O)\C=C/C=C\CC(C)OC(=O)CC(O)C3OC)C(O)C2N(C)C,non-mutagenic -98451-51-5,Nc1cccc(c1CO)[N+](=O)[O-],non-mutagenic -66-56-8,Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],mutagenic -111-44-4,ClCCOCCCl,mutagenic -64201-68-9,[O-][N+](=O)c1ccc(cc1)c2csc(NC=O)n2,mutagenic -2381-40-0,Cc1ccc2c(C)c3ccc4ccccc4c3nc2c1,mutagenic -24246-00-2,[O-][N+](=O)c1cccc2csnc12,mutagenic -616-69-3,Cc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -78-89-7,CC(Cl)CO,mutagenic -111467-88-0,CC\C=C\C=C\C=C\C=C\C=C\OC,mutagenic -91540-29-3,CCCCCN1C2C1c3ccccc3c4ccccc24,mutagenic -61734-89-2,CCCCN(CCC(=O)C)N=O,mutagenic -40568-90-9,Cc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic -114656-95-0,COC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc3c2C1=O,mutagenic -102859-52-9,[O-][N+](=O)C1=Cc2ccc3ccc4cccc5cc1c2c3c45,mutagenic -158729-32-9,ONS(=O)(=O)c1cccc2cccnc12,non-mutagenic -55256-55-8,COc1c2[C@@H]3C=CO[C@H]3Oc2cc4Oc5c(CCC(C)(C)O)ccc(O)c5C(=O)c14,mutagenic -1758-68-5,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N,mutagenic -7247-89-4,C[C@@H]1CCCCN1N=O,mutagenic -50-65-7,Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic -39007-51-7,OCC1OC(C(O)C1O)n2cnc3c2ncn4ccnc34,non-mutagenic -95860-07-4,Cc1ccc(cc1NO)[N+](=O)[O-],non-mutagenic -29385-43-1,Cc1cccc2[nH]nnc12,non-mutagenic -85060-01-1,CC(O)C(C)[N+](=O)[O-],non-mutagenic -108-22-5,CC(=C)OC(=O)C,non-mutagenic -103878-84-8,NCCNC(=O)c1ccc(Cl)cn1,non-mutagenic -64-75-5,CN(C)[C@H]1[C@H]2C[C@H]3C(=C(O)[C@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O,non-mutagenic -211-91-6,C1=Cc2c3c1cccc3cc4ccc5ccccc5c24,mutagenic -28322-02-3,CC(=O)Nc1cccc2Cc3ccccc3c12,mutagenic -36059-21-9,Cc1c(C)c(Br)c(Br)c(Br)c1Br,non-mutagenic -109143-18-2,COc1ccc(N(CCCl)CCCl)c2oc(cc12)[N+](=O)[O-],mutagenic -172374-57-1,CC(=O)Nc1ccc(Oc2ccc(NO)cc2)cc1,mutagenic -19200-30-7,CCN(CC)C(=S)SC1OC(CO)C(O)C(O)C1O,non-mutagenic -31335-69-0,ON(C=O)c1ccccc1,non-mutagenic -1191-41-9,CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,mutagenic -22316-47-8,CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,non-mutagenic -57781-14-3,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br)OC(=O)C,non-mutagenic -868-77-9,CC(=C)C(=O)OCCO,non-mutagenic -86247-86-1,CC(C)NCC(O)COc1cccc2CC(O)COc12,non-mutagenic -7481-89-2,NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO)O2,mutagenic -22868-29-7,Clc1cccc(c1)c2oc3ccccc3n2,non-mutagenic -591-27-5,Nc1cccc(O)c1,mutagenic -515-46-8,CCOS(=O)(=O)c1ccccc1,mutagenic -6471-49-4,COc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4cccc(c4)[N+](=O)[O-])[N+](=O)[O-],mutagenic -163275-59-0,Fc1cc2cccnc2c3ccccc13,mutagenic -NOCAS_M5,N\N=C\1/N=NC=C2C=CC=C[C@H]12,mutagenic -88-88-0,[O-][N+](=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -78-78-4,CCC(C)C,non-mutagenic -120143-20-6,NC(CCN=[N+]=[N-])C(=O)O,mutagenic -53956-04-0,CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(=O)O)C(=O)O,non-mutagenic -162022-88-0,NNc1nncc2cnccc12,mutagenic -99-65-0,[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],mutagenic -82-45-1,Nc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic -106532-76-7,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3[N+](=O)[O-])\c2c1)C(=O)c4ccccc4[N+](=O)[O-],mutagenic -21466-07-9,Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2OP(=O)(O)O,non-mutagenic -51787-42-9,Cc1cc(C)c2nc3c(ccc4ccccc34)c(C)c2c1,mutagenic -NOCAS_M512,CCCC[C@@H](CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,non-mutagenic -59405-70-8,COc1ccc(cn1)N=Nc2ccc(cc2)N(C)C,mutagenic -23702-49-0,O=C1Oc2cccc3ccc4cccc1c4c23,non-mutagenic -2150-55-2,NC1=N[C@@H](CS1)C(=O)O,non-mutagenic -709-49-9,[O-][N+](=O)c1ccc(I)c(c1)[N+](=O)[O-],mutagenic -115689-52-6,Nc1nc2c(CCc3ncccc23)s1,mutagenic -2835-97-4,Cc1cccc(O)c1N,non-mutagenic -92758-43-5,Nc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic -142741-09-1,[O-][N+](=O)c1cc(c2[nH]c3cnc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -112-27-6,OCCOCCOCCO,mutagenic -1806-54-8,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,non-mutagenic -119-06-2,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,non-mutagenic -142-78-9,CCCCCCCCCCCC(=O)NCCO,non-mutagenic -514-10-3,CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,non-mutagenic -63104-32-5,Cc1cccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic -621-90-9,CNc1ccc(cc1)N=Nc2ccccc2,mutagenic -155379-83-2,Cc1cc(N)c(C)c(c1N)[N+](=O)[O-],mutagenic -150-68-5,CN(C)C(=O)Nc1ccc(Cl)cc1,non-mutagenic -NOCAS_M329,[O-][N+](=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],non-mutagenic -87679-37-6,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,non-mutagenic -72-54-8,ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,non-mutagenic -NOCAS_M431,C(C(C1CCCCC1)C2CCCCC2)[C@H]3CCCCN3,non-mutagenic -15743-13-2,ClC1=C(Cl)C(=O)C(Cl)(Cl)C1=O,non-mutagenic -103124-60-3,CCOC(=O)C(=NNc1ccc(cc1Cl)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(Cl)c2)C(=O)OCC,non-mutagenic -838-95-9,CN(C)c1ccc(\C=C\c2ccccc2)cc1,mutagenic -118430-74-3,Cn1nc(cc1N)C2CC2,mutagenic -7085-19-0,C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O,non-mutagenic -54897-62-0,CCN(CCCCO)N=O,mutagenic -968-81-0,CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,non-mutagenic -NOCAS_M203,[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5c6ccccc6c1c2c45,mutagenic -7085-85-0,CCOC(=O)C(=C)C#N,non-mutagenic -33389-36-5,OCCNc1nc(nc2ccccc12)c3ccc(s3)[N+](=O)[O-],mutagenic -60259-80-5,Cc1ccc(NN=NCc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -693-13-0,CC(C)N=C=NC(C)C,non-mutagenic -7570-36-7,Nc1ccc(\C=C\c2ccc(Cl)cc2)cc1,mutagenic -90-30-2,N(c1ccccc1)c2cccc3ccccc23,non-mutagenic -24316-91-4,NC(=O)c1[nH]cnc1[N+]#N,mutagenic -2461-42-9,C(Oc1cccc2ccccc12)C3CO3,mutagenic -99007-32-6,Cc1ccc(cc1S(=O)(=O)O)N=Nc2c(O)ccc3ccccc23,non-mutagenic -102234-07-1,O=C1NC2(CCCCC2)C(=O)N1CCN3CC3,mutagenic -119239-63-3,OC1C2OC2c3c(ccc4ncccc34)C1O,non-mutagenic -NOCAS_M210,OC[C@H](O)CCl,mutagenic -18296-44-1,CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]12,mutagenic -13608-87-2,CC(=O)c1ccc(Cl)c(Cl)c1Cl,mutagenic -1622-57-7,Cn1c(N)nc2ccccc12,mutagenic -26676-89-1,OC1COC2(O)C1OC(=O)C2(O)Cc3c[nH]c4ccccc34,non-mutagenic -201-06-9,C1=Cc2cc3ccccc3c4cccc1c24,mutagenic -120-57-0,O=Cc1ccc2OCOc2c1,non-mutagenic -23740-25-2,COc1ccc2c(c1)C(=O)c3nccc4cc5OCOc5c2c34,mutagenic -59405-62-8,CN(C)c1ccc(N=Nc2cccnc2)c(NC(=O)C)c1,non-mutagenic -1172-18-5,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,non-mutagenic -17696-11-6,OC(=O)CCCCCCCBr,mutagenic -448-97-5,Nc1ccc(cc1F)c2ccc(N)c(F)c2,mutagenic -133-18-6,Nc1ccccc1C(=O)OCCc2ccccc2,non-mutagenic -17418-58-5,Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,mutagenic -3118-97-6,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1,mutagenic -21247-98-3,OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic -98601-00-4,Cc1cc2ccccc2c3cc4C=CC(O)C(O)c4cc13,mutagenic -4559-64-2,Nc1cc2nc3ccc(Cl)cc3nc2cc1N,mutagenic -14047-09-7,Clc1ccc(cc1Cl)N=Nc2ccc(Cl)c(Cl)c2,non-mutagenic -148193-31-1,Nc1cccc2c(Cl)nsc12,mutagenic -5234-06-0,C(Oc1ccc2ccccc2c1)C3CO3,mutagenic -23834-30-2,CN(C)CCN(C)N=O,mutagenic -2851-80-1,Cc1ccc2c(Cc3cc(C)ccc23)c1,non-mutagenic -93-58-3,COC(=O)c1ccccc1,non-mutagenic -98736-48-2,CN(Cc1cccc(c1)C(F)(F)F)N=O,mutagenic -6334-18-5,Clc1cccc(C=O)c1Cl,non-mutagenic -150-69-6,CCOc1ccc(NC(=O)N)cc1,non-mutagenic -22996-17-4,Nc1ccc(CO)c(c1)[N+](=O)[O-],mutagenic -53950-62-2,ON(C=O)c1ccc(Cl)c(Cl)c1,non-mutagenic -4403-90-1,Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,mutagenic -1732-29-2,Oc1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic -96301-34-7,CC1=CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C12C,non-mutagenic -133762-83-1,OC(CN=N#N)Cn1cnc2c(Cl)ncnc12,mutagenic -128-66-5,O=C1c2ccccc2c3ccc4C(=O)c5ccccc5c6ccc1c3c46,non-mutagenic -160543-08-8,Cc1c2ccc(CO)cc2nc3c1ccc4ccccc34,mutagenic -133591-38-5,Cc1ccc(C)c2c3cc(ccc3[nH]c12)[N+](=O)[O-],mutagenic -155164-68-4,COc1ccc(cc1)C(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic -69140-51-8,CCC1OC1c2ccccc2,non-mutagenic -101-73-5,CC(C)Oc1ccc(Nc2ccccc2)cc1,non-mutagenic -111070-55-4,[O-][N+](=O)c1oc(\C=N\n2cccn2)cc1,mutagenic -NOCAS_M163,O[C@@H]1CC(=O)c2c(O)ccc3c4ccc(O)c5C(=O)CC[C@H](c45)[C@@]1(O)c23,mutagenic -107673-63-2,[O-][N+](=O)C1=Cc2c3ccc4ccccc4c3cc5cccc1c25,mutagenic -102-32-9,OC(=O)Cc1ccc(O)c(O)c1,mutagenic -1499-54-3,ONC(=O)CNC(=O)c1ccccc1,mutagenic -6792-33-2,FC(=C(F)Cl)F,non-mutagenic -NOCAS_M567,CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,non-mutagenic -91828-72-7,O[C@@H]1C=Cc2c(ccc3c4ccccc4c(cc23)[N+](=O)[O-])[C@H]1O,mutagenic -103-34-4,C1CN(CCO1)SSN2CCOCC2,non-mutagenic -14385-22-9,CC(C)C(=O)N(O)c1ccc(Cl)cc1,mutagenic -58139-47-2,OCCN(CCO)c1nc(nc2ccccc12)c3cccs3,non-mutagenic -148317-76-4,OCCNCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O,non-mutagenic -999-29-1,CCOC(=O)CNC(=O)C=[N+]=[N-],mutagenic -3366-65-2,Nc1ccc2c(ccc3ccccc23)c1,mutagenic -2386-90-5,C1C[C@@H]2O[C@@H]2[C@H]1O[C@H]3CC[C@@H]4O[C@H]34,non-mutagenic -139-59-3,Nc1ccc(Oc2ccccc2)cc1,mutagenic -7209-38-3,NCCCN1CCN(CCCN)CC1,non-mutagenic -687-48-9,CCOC(=O)N(C)C,mutagenic -554-14-3,Cc1cccs1,non-mutagenic -10026-04-7,Cl[Si](Cl)(Cl)Cl,non-mutagenic -67-56-1,CO,non-mutagenic -320-51-4,Nc1ccc(Cl)c(c1)C(F)(F)F,non-mutagenic -115-07-1,CC=C,mutagenic -5343-65-7,Cc1ccc(NC(=O)CBr)cc1,non-mutagenic -1951-56-0,CC(C)NC(=O)\C=C/c1oc(cc1)[N+](=O)[O-],mutagenic -142713-65-3,COc1ccc(CNC(=O)C(C)Br)cc1OC,mutagenic -93673-39-3,Oc1cccc2c1ccc3c4C=Cc5cccc(cc23)c45,mutagenic -108342-09-2,N[C@H](CN=[N+]=[N-])C(=O)O,mutagenic -78859-43-5,CC(=C\C(=N\Nc1nncc2ccccc12)\C)C,mutagenic -58337-49-8,CC(=O)NC(CSCCCl)C(=O)O,mutagenic -22506-53-2,[O-][N+](=O)c1ccc2c(c1)c3ccc(c4cccc2c34)[N+](=O)[O-],mutagenic -4568-28-9,CCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic -100-32-3,[O-][N+](=O)c1ccc(SSc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic -3208-16-0,CCc1occc1,non-mutagenic -111959-96-7,ClC(=C(Cl)\C(=C(/Cl)\SCc1ccccc1)\Cl)Cl,mutagenic -10285-07-1,CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C12,non-mutagenic -93-46-9,N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,mutagenic -2698-41-1,Clc1ccccc1C=C(C#N)C#N,mutagenic -27730-00-3,Brc1ccc(cc1)C2OC2C(=O)c3ccccc3,non-mutagenic -27046-19-1,ClCCN(CCCl)P1(=O)NC(=O)CCO1,mutagenic -93-52-7,BrCC(Br)c1ccccc1,mutagenic -17455-21-9,C1CCC2OCCOCCOC3CCCCC3OCCOCCOCCOC2C1,non-mutagenic -81-15-2,Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic -3102-87-2,Cc1c(C)c(N)c(C)c(C)c1N,non-mutagenic -288-32-4,c1c[nH]cn1,non-mutagenic -158729-20-5,Cc1ccccc1NS(=O)(=O)c2cccc3cccnc23,non-mutagenic -2564-65-0,OCc1c2ccccc2c(CO)c3c1ccc4ccccc34,mutagenic -5000-65-7,COc1cccc(c1)C(=O)CBr,non-mutagenic -68688-86-8,Cc1ccc2cc3c4[C@H](O)[C@H](O)C=Cc4ccc3c5CCc1c25,mutagenic -155014-06-5,CC(=O)Nc1cccc2cc(F)cnc12,mutagenic -79305-82-1,Nc1ccc(\C=C\c2cccc(N)c2)cc1,mutagenic -90147-21-0,CC(C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -83-72-7,OC1=CC(=O)C(=O)c2ccccc12,mutagenic -4080-31-3,Cl\C=C/C[N+]12CN3CN(CN(C3)C1)C2,mutagenic -96-98-0,Cc1ccc(cc1[N+](=O)[O-])C(=O)O,mutagenic -43000-65-3,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic -2592-95-2,On1nnc2ccccc12,non-mutagenic -85-22-3,CCc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic -106-51-4,O=C1C=CC(=O)C=C1,non-mutagenic -7782-50-5,ClCl,non-mutagenic -90-15-3,Oc1cccc2ccccc12,non-mutagenic -2589-39-1,Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,mutagenic -67910-07-0,CC(C)CC(=O)OCc1cocc2c(C=O)ccc12,mutagenic -151378-32-4,O[C@@H]1[C@@H](O)c2cccc3c4c(ccc5ccccc45)[C@]6(O[C@H]16)c23,mutagenic -51-03-6,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,non-mutagenic -563-04-2,Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc3cccc(C)c3)c1,non-mutagenic -3228-99-7,ClCC(CCl)(CCl)CCl,non-mutagenic -125847-45-2,OC1C=Cc2ccc3c4ccccc4sc3c2C1O,non-mutagenic -100-43-6,C=Cc1ccncc1,non-mutagenic -26638-28-8,CCCCCCCCC(Cl)CCC(Cl)CC(Cl)C(Cl)C(Cl)CC(=O)OC,non-mutagenic -2255-17-6,COP(=O)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],mutagenic -51-02-5,CC(C)NCC(O)c1ccc2ccccc2c1,non-mutagenic -3114-70-3,N[C@@H]1CC[C@@H](N)CC1,non-mutagenic -7269-57-0,Nc1nc(NO)c2[nH]cnc2n1,mutagenic -51640-90-5,[O-][N+](=O)c1cccc2c1OC(=O)c3ccccc23,mutagenic -2385-85-5,ClC1(Cl)[C@@]2(Cl)[C@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@](Cl)([C@@]1(Cl)[C@]35Cl)[C@@]24Cl,non-mutagenic -19246-18-5,NC(CS)C(=O)NCC(=O)O,mutagenic -104671-59-2,CNC(=O)ONC(=O)C,mutagenic -578-46-1,Cc1ccc(c(N)c1)[N+](=O)[O-],non-mutagenic -78400-41-6,Cc1ccc2cc3c4ccccc4C5NC5c3c6CCc1c26,mutagenic -394-70-7,Fc1ccnc2ccccc12,mutagenic -479-50-5,CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,mutagenic -576-26-1,Cc1cccc(C)c1O,non-mutagenic -109-87-5,COCOC,non-mutagenic -145531-23-3,NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4cc(ccc24)N=N#N)N=N#N)cc1,mutagenic -105427-04-1,CCOC(=O)CNC(=O)C(C)(C)Br,non-mutagenic -123-33-1,Oc1ccc(O)nn1,non-mutagenic -87-59-2,Cc1cccc(N)c1C,mutagenic -577-71-9,Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic -529-19-1,Cc1ccccc1C#N,non-mutagenic -140-67-0,COc1ccc(CC=C)cc1,non-mutagenic -54083-22-6,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccccc6)\C,mutagenic -3778-76-5,CCOC(=O)NNc1nncc2ccccc12,mutagenic -91182-09-1,CCCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic -427-51-0,CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(=O)C,non-mutagenic -56-81-5,OCC(O)CO,non-mutagenic -99803-60-8,COP(=S)(OC)Oc1ccc(N=O)c(C)c1,mutagenic -128233-25-0,CN1C=CN(COCCC(C)(C)[N+](=O)[O-])C1\C=N\O,non-mutagenic -86711-50-4,O=C(C1OC1c2ccc(Oc3ccccc3)cc2)c4ccccc4,non-mutagenic -7203-90-9,CN(C)N=Nc1ccc(Cl)cc1,mutagenic -112-95-8,CCCCCCCCCCCCCCCCCCCC,non-mutagenic -118-91-2,OC(=O)c1ccccc1Cl,non-mutagenic -85815-37-8,CN(C)C(=O)c1nc(CNC(=O)CN)n(n1)c2ccc(Cl)cc2C(=O)c3ccccc3Cl,non-mutagenic -115091-98-0,CCCC\C=C\C=C\C=C\C=C\C=C\OC,mutagenic -1912-32-9,CCCCOS(=O)(=O)C,mutagenic -3807-77-0,[O-][N+](=O)c1ccc2cccc3CCc1c23,mutagenic -142-04-1,Nc1ccccc1,non-mutagenic -69658-17-9,Oc1ccc2C(=O)c3cccc4c(O)ccc(c2c1)c34,mutagenic -84-58-2,ClC1=C(Cl)C(=O)C(=C(C#N)C1=O)C#N,non-mutagenic -51-79-6,CCOC(=O)N,mutagenic -17886-25-8,C(N1CCN=N1)c2ccccc2,mutagenic -131431-60-2,CN1C=CN(CCS(=O)(=O)C)C1\C=N\O,non-mutagenic -320-67-2,NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,mutagenic -3252-43-5,BrC(Br)C#N,mutagenic -106671-89-0,[O-][N+](=O)c1c(nc2sccn12)c3ccc(Cl)cc3,mutagenic -51940-44-4,CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,mutagenic -932-83-2,O=NN1CCCCCC1,mutagenic -30269-02-4,Nc1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic -98-56-6,FC(F)(F)c1ccc(Cl)cc1,non-mutagenic -78-98-8,CC(=O)C=O,mutagenic -611-06-3,[O-][N+](=O)c1ccc(Cl)cc1Cl,mutagenic -3087-16-9,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic -134998-78-0,CC(=O)Oc1c(OC(=O)C)c2c(ccc3c4ccccc4c5cccc1c5c23)[N+](=O)[O-],mutagenic -123-01-3,CCCCCCCCCCCCc1ccccc1,non-mutagenic -56681-55-1,CCc1cccc(CC)c1N(COC)C(=O)CO,non-mutagenic -103667-52-3,CC1CC2=C(C3C(C=C(C)C2=O)C(CCC3=C)C(=C)C)C1=O,non-mutagenic -121-73-3,[O-][N+](=O)c1cccc(Cl)c1,non-mutagenic -501-30-4,OCC1=CC(=O)C(=CO1)O,mutagenic -106-48-9,Oc1ccc(Cl)cc1,non-mutagenic -7570-86-7,O=C([C@H]1O[C@@H]1c2ccccc2)c3ccccc3,mutagenic -823-86-9,ONc1ccc(Cl)cc1,non-mutagenic -1982-49-6,C[C@@H]1CCCC[C@H]1NC(=O)Nc2ccccc2,non-mutagenic -74992-96-4,Clc1cccc2c1oc3ccccc23,non-mutagenic -20098-48-0,[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,mutagenic -363-49-5,CC(=O)Nc1ccc2c(Cc3cc(O)ccc23)c1,mutagenic -37319-17-8,COC1COC(COCC2COC(OC)C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O,non-mutagenic -117333-21-8,OC(Cc1cn(N=O)c2ccccc12)C(=O)O,mutagenic -10605-21-7,COC(=O)Nc1nc2ccccc2[nH]1,mutagenic -103393-71-1,ClCc1cccc2c3cccc4cccc(c12)c34,mutagenic -621-64-7,CCCN(CCC)N=O,mutagenic |