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SMILES,LOAEL
OCC(C1OC(=O)C(=C1O)O)O,-3.4844
OCC(C1OC(=O)C(=C1O)O)O,-3.1915
CC(c1ccccc1)C,-2.6646
CC(c1ccccc1)C,-2.5198
CCc1ccccc1,-2.6107
CCc1ccccc1,-2.4639
OCCO,-2.3979
OCCO,-2.6021
OCCO,-3.301
OCCO,-2.9638
OCCO,-3.0
C=Cc1ccccc1,-1.3222
C=Cc1ccccc1,-2.4548
C=Cc1ccccc1,-2.6021
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,-1.5051
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.60206
COCN(c1c(CC)cccc1CC)C(=O)CCl,-1.1761
COCN(c1c(CC)cccc1CC)C(=O)CCl,-1.1461
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.4437
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,-0.35218
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,-0.41162
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,-1.3979
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,-2.0569
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,-1.0792
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,-1.1761
CNC(=O)Oc1cccc2c1cccc2,-1.1931
CNC(=O)Oc1cccc2c1cccc2,-1.7782
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.56864
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.30103
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,-0.77815
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.60206
Nc1ccc(cc1)Cl,-0.77815
Nc1ccc(cc1)Cl,-1.0969
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.09691
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,-0.23045
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,-2.699
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,-1.0
OC(=O)C(Cl)(Cl)C,-1.4498
OC(=O)C(Cl)(Cl)C,-1.699
ClCCl,-1.699
ClCCl,-1.7208
COP(=O)(OC=C(Cl)Cl)OC,-0.36173
COP(=O)(OC=C(Cl)Cl)OC,-0.33244
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,-1.301
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,-0.39794
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,1.301
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,0.90309
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,1.0
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,0.60206
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,-0.90309
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,-0.89209
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,-0.8451
CNC(=O)CSP(=S)(OC)OC,0.60206
CNC(=O)CSP(=S)(OC)OC,-0.69897
c1ccc(cc1)Nc1ccccc1,-1.4914
c1ccc(cc1)Nc1ccccc1,-1.3979
c1ccn2c(c1)c1ccccn1CC2,0.23657
c1ccn2c(c1)c1ccccn1CC2,0.24413
CCSCCSP(=S)(OCC)OCC,1.0
CCSCCSP(=S)(OCC)OCC,1.3979
CCSCCSP(=S)(OCC)OCC,0.65758
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,-0.77815
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,-0.79588
ClCCP(=O)(O)O,-2.1761
ClCCP(=O)(O)O,-2.6493
ClCCP(=O)(O)O,-1.0792
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,-1.3979
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,-1.5119
CCP(=S)(Sc1ccccc1)OCC,-0.19866
CCP(=S)(Sc1ccccc1)OCC,-0.69897
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,-0.69897
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,-0.66276
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,-0.6721
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,-0.90309
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,-0.60206
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,-1.6021
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,-1.1761
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-1.699
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-2.5563
COc1sc(=O)n(n1)CSP(=S)(OC)OC,-0.30103
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.09691
COc1sc(=O)n(n1)CSP(=S)(OC)OC,-0.09691
COc1sc(=O)n(n1)CSP(=S)(OC)OC,-0.20412
CNC(=O)ON=C(SC)C,-1.0
CNC(=O)ON=C(SC)C,-1.301
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,-0.54407
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,0.37675
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,-1.301
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,-0.95424
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,-1.0899
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,-0.17609
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,-0.39794
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,-1.1399
CCC(=O)Nc1ccc(c(c1)Cl)Cl,-1.301
CCC(=O)Nc1ccc(c(c1)Cl)Cl,-1.8808
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,-1.3979
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,-1.9823
CCNc1nc(NCC)nc(n1)Cl,-0.69897
CCNc1nc(NCC)nc(n1)Cl,-0.72428
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,-2.0
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,-1.699
CN(C(=S)SSC(=S)N(C)C)C,-1.1761
CN(C(=S)SSC(=S)N(C)C)C,-1.0607
CN(C(=S)SSC(=S)N(C)C)C,-0.73799
CN(C(=S)SSC(=S)N(C)C)C,-1.0792
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,-1.6021
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,-3.0
COP(=O)(SC)N,0.045757
COP(=O)(SC)N,1.0
COP(=O)(SC)N,0.5376
COP(=O)(NC(=O)C)SC,-1.5441
COP(=O)(NC(=O)C)SC,-0.39794
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,-0.17609
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,-0.76343
NC1CCCCC1,-1.7672
NC1CCCCC1,-1.7782
OC(=O)CNCP(=O)(O)O,-3.0
OC(=O)CNCP(=O)(O)O,-2.4771
S=C1NCCN1,0.63827
S=C1NCCN1,0.60206
S=C1NCCN1,-0.09691
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,-0.79588
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,-0.39794
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,-1.0
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,-1.2388e-09
CC(OC(=O)Nc1cccc(c1)Cl)C,-2.699
CC(OC(=O)Nc1cccc(c1)Cl)C,-3.0
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,-2.3979
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,-2.0
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.0969
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-0.87506
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-0.77815
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.0792
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,0.60206
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,0.42022
CCOP(=S)(SCSC(C)(C)C)OCC,1.301
CCOP(=S)(SCSC(C)(C)C)OCC,-0.30103
CCOP(=S)(SCSC(C)(C)C)OCC,1.2218
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,-1.0086
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,-1.0
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,-1.6021
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,-1.5441
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,-2.0
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,-1.9345
CCCN(C(=O)SCC)CCC,-0.95424
CCCN(C(=O)SCC)CCC,-1.3979
CSc1ccc(cc1C)OP(=S)(OC)OC,-0.57403
CSc1ccc(cc1C)OP(=S)(OC)OC,0.14267
CSc1ccc(cc1C)OP(=S)(OC)OC,0.34679
c1scc(n1)c1nc2c([nH]1)cccc2,-0.30103
c1scc(n1)c1nc2c([nH]1)cccc2,-1.6021
c1scc(n1)c1nc2c([nH]1)cccc2,-1.4771
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,-2.0969
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,-2.1461
Nc1ncn[nH]1,-0.39794
Nc1ncn[nH]1,-0.69897
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,-1.415
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,-1.3979
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,-1.8751
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,-1.3892
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,-1.1399
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-2.574
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-2.5682
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,-1.5666
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,-1.6532
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,-0.87506
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,-0.70757
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,-1.2889
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,-1.3979
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.8751
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.699
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,0.69897
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,1.6021
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,-1.6021
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,-1.4771
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,-0.69897
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,-0.90309
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,-2.1761
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,-2.3802
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,-2.699
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,-1.9395
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,-2.0607
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,-2.3979
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,-2.699
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,-1.6021
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,-1.699
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,-2.0
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,-1.2788
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,-1.0
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,-0.77815
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,-1.0969
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,-1.0899
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,-1.273
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,-1.7097
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,-1.301
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,-1.238
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,-1.699
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,-1.8062
CCSC(=O)N1CCCCCC1,-1.1706
CCSC(=O)N1CCCCCC1,-0.30103
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,-1.3979
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,-2.0212
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,-0.17609
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,-0.23045
Cn1ccc(cc1)c1ccn(cc1)C,-0.57403
Cn1ccc(cc1)c1ccn(cc1)C,-0.40654
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,-0.993
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,-0.99123
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,-2.0607
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,-1.4771
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,-1.1761
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,-1.3617
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(C)C)C)OC(C1OC1CC(OC)C(C(O1)C)NC(=O)C)C,-1.9287e-16
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(C)C)C)OC(C1OC1CC(OC)C(C(O1)C)NC(=O)C)C,-0.39794
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