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SMILES,LOAEL,Confidence
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.01794715844037741,1
CCOP(=S)(SCSC(C)(C)C)OCC,0.003704100538404407,1
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.018852352457952175,1
CCSCSP(=S)(OCC)OCC,0.0021023210664433286,1
COP(=O)(SC)N,0.04410478581346265,0.13333333333333333
CSc1ccc(cc1C)OP(=S)(OC)OC,0.00898867484921591,1
CCOP(=O)(SC(CC)C)SC(CC)C,0.006903877081709983,1
CNC(=O)CSP(=S)(OC)OC,0.014586463336609087,1
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.02194523383160381,1
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.0076378016603483945,1
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.0139964815777352,1
CCCSP(=O)(SCCC)OCC,0.0039708180107792,1
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.011073447351926292,1
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.008964221294853195,1
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.012545268999857112,1
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.023361898797403968,1
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.04648505111611411,1
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,0.020051610861635198,1
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.002030634495407439,1
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.010491692954644357,1
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,0.03863788529799391,1
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.07612835860304588,1
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.007483639294210563,1
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,0.06613441961672208,1
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.0408434862702137,1
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.047855706583085175,1
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.050248243287795286,1
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.04246157549199767,1
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,0.05646273633409459,1
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.01952169408231933,1
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.08314227068490052,1
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.006268142020685779,1
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.21176082920664388,1
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.09901068823897015,1
COP(=O)(OC=C(Cl)Cl)OC,0.0015614663384413924,0.25
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.01663695506648368,1
c1scc(n1)c1nc2c([nH]1)cccc2,0.07974480174762018,1
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.04210051479764865,1
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.13367683185013743,1
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,0.007624059371205958,1
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.041158187665776245,1
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.0808048049873719,1
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.058491146272676646,1
COP(=O)(NC(=O)C)SC,0.0023317481611294373,1
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.021695872517651062,1
CON(C(=O)Nc1ccc(cc1)Br)C,0.03963264494829388,1
CCNc1nc(NC(C)C)nc(n1)Cl,0.054810850412672,1
N#Cc1c(Cl)cccc1Cl,0.08043837888152362,1
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.08659429340562125,1
CCN(C(=O)SCc1ccc(cc1)Cl)CC,0.042979567574539565,1
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.052300407066397304,1
CNC(=O)ON=C(C(=O)N(C)C)SC,0.06573757378076678,1
OC(=O)COc1ccc(cc1C)Cl,0.04591812986999516,1
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.15663486198715507,1
CN1CN(C)CSC1=S,0.051171590227730275,1
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.1212437099542852,1
OC(=O)COc1ccc(cc1Cl)Cl,0.03642035370113245,1
CN(C(=S)SSC(=S)N(C)C)C,0.05293233872684793,1
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,0.13113035262450623,1
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.009149216533940489,0.1
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.11713943873405962,1
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.2623999687192134,1
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.018656507105010926,1
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.15549139436729797,1
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,0.05736273332794011,1
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,0.03802499023934989,1
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.07781051357925128,1
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.23437708776324084,1
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.0722485051259955,1
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.017195630012067892,1
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.07632107233526515,1
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.020118668205494714,1
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.057059441880248314,1
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.15048290487238272,1
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.11872213293647221,1
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.021459943817702744,1
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.048073692879749524,1
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.056699136707844384,1
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.07760569075240593,1
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.08672193017581485,1
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.11072047533639381,1
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.08098931386172986,1
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.03344136471734715,1
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.03021836379646152,1
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.24490699189756066,1
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.06540589806597762,1
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.018920593388177996,1
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,0.15157247284661812,1
CSc1nnc(c(=O)n1N)C(C)(C)C,0.013701160159437665,0.11538461538461539
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,0.0689186535442912,1
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.06170436387485995,1
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.221291919993571,0.13333333333333333
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.07389550307879662,1
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.04152763455649955,1
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.052917053725776424,1
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.041378765207144126,1
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.022648611453486876,1
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.12861552089099143,1
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.04451807534223566,1
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.1624898935713058,1
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.16931365876661522,1
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.0555273846565642,1
CNC(=O)Oc1cccc2c1cccc2,0.14426023306829297,1
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.06682061265704313,1
ClCCP(=O)(O)O,4.077458613315071,0.16666666666666666
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.12177720143503541,1
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.007321560748673368,1
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.0522730363753632,1
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.05842287887742468,1
Nc1nc(NC2CC2)nc(n1)N,0.11412618220811963,1
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.2483396785546011,1
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.028193317067462354,1
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.19645295485206996,1
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.0170462901004169,1
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.4773338900781937,1
Cc1cccc2c1n1cnnc1s2,0.3148776206651624,1
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.06749746608811145,1
CC(OC(=O)Nc1cccc(c1)Cl)C,0.08038790946985144,1
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.17823377626664247,1
c1ccc(cc1)Nc1ccccc1,0.13073385328019962,1
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.11527482064246061,1
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.1382985935674065,1
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.01993649507784648,1
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.19368196595388673,1
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.08966554512139803,1
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.12117285527596837,1
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.1409931871422854,1
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.07043212149288518,1
CNC(=O)Oc1ccccc1OC(C)C,0.06350310869422125,1
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.503640251987437,0.25
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.295366444126109,1
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.0927359733864692,1
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.06839204705415984,0.1
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.13823281409015614,1
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.23843829210981757,0.2
COC(=O)Nc1nc2c([nH]1)cccc2,0.07018526533924303,1
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.08901590831245251,1
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.06950654477670427,1
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.1162376230043751,1
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.15147582741089838,1
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.08549174008565849,1
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.21687079516576088,1
O=Cc1ccco1,0.12486833177320306,0.1111111111111111
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.29259896004639985,1
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.3204927323574274,1
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.18285665635750067,1
Oc1ccccc1c1ccccc1,0.1368802499029891,1
OC(=O)CNCP(=O)(O)O,0.700841565636653,0.16666666666666666
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,0.1439612634005114,1
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