SMILES,LOAEL
OCC(CO)O,-1.8735472827377653
OCCO,-1.5081659713033675
OC(=O)c1ccccc1N,-1.3023309286843994
CCOC(=O)c1ccccc1C(=O)OCC,-1.300073495267144
CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.2981322917796099
O=C1NS(=O)(=O)c2c1cccc2,-1.293649779215835
[O-]S(=O)(=O)NC1CCCCC1.[Na+],-1.2528772925637603
OCC(C1OC(=O)C(=C1O)O)O,-1.2386231053847003
CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.2234180569052944
OCCO,-1.207122497650964
OCCO,-1.1709068089307477
P12P3P1P23,-1.0748529958812472
OC1C2C(N(C)C)C(=O)C(=C(O)N)C(=O)C2(O)C(=O)C2=C(O)c3c(C(C12)(C)O)c(Cl)ccc3O,-1.0215200641140327
COC(=O)c1ccccc1C(=O)OC,-1.0128372247051722
COC(=O)c1ccc(cc1)O,-0.9938284615355355
OC(=O)C=CC(=O)O,-0.9690989294838307
O=C1CCCCC1,-0.9671827907251261
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,-0.9503599855766129
OCC(C1OC(=O)C(=C1O)O)O,-0.9456310458740838
CCCOC(=O)c1ccc(cc1)O,-0.9203372888854956
O=C1OC(=O)c2c1cccc2,-0.9031171295488665
COc1cc(c(cc1NN=C1C(=O)C=Cc2c1ccc(c2)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+],-0.8769045453148221
ClCC(=O)c1ccc(cc1)NC(=O)C,-0.8730472649380243
OC(=O)CNCP(=O)(O)O,-0.8561425898722091
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,-0.8280021578068849
OC(=O)c1ccc(cc1N)N(=O)=O,-0.8133274093241547
OCCO,-0.8091959669673487
NC(=O)c1cnccn1,-0.806776718728446
NC(=S)NNC(=S)N,-0.7996024258846957
Nc1ccc(cc1)O,-0.7983951029360405
CCOc1ccc(cc1N)NC(=O)C,-0.7854010249923875
OC(=O)CNCP(=O)(O)O,-0.7719253789441974
Oc1ccccc1c1ccccc1,-0.7690226551851297
OC(=O)CNCP(=O)(O)O,-0.745051357794347
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,-0.7065214948994436
CNC(=N[N](=O)[O])NCC1COCC1,-0.6902669794624975
Clc1cc(N)c(c(n1)C(=O)O)Cl,-0.6840010770259624
CC(OC(=O)Nc1cccc(c1)Cl)C,-0.6702736915717395
C[N+]1(C)CCCCC1.[Cl-],-0.6599447086187201
S=c1sc2c([nH]1)cccc2,-0.6516946592276465
O=c1ccc(=O)[nH][nH]1,-0.6494127520818966
Oc1ccc(nn1)O,-0.6494127520818966
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)N(=O)=O,-0.6343160172184156
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,-0.6264019650606861
CCCOC(=O)c1cc(O)c(c(c1)O)O,-0.6097651056927426
CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,-0.6072297750805989
OCCO,-0.6050786798589156
COc1ccc(cc1)N,-0.5853366276411315
CC(c1ccccc1)C,-0.584772080866149
CCc1ccccc1,-0.5846816852406054
C=Cc1ccccc1,-0.584399077579434
CC1CCC(C(C1)O)C(C)C,-0.5791888919086445
[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC.[Al+3],-0.5664846315071651
Oc1ccccc1,-0.5629111450476486
CCOP(=O)O,-0.5604685709801248
CCCOC(=O)NCCCN(C)C,-0.557735717818272
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,-0.5235904048292048
OC(=O)CNCP(=O)(O)O,-0.5201165528332334
Clc1cnc2c(c1)ccc(c2C(=O)O)Cl,-0.49516954484866715
Oc1ccccc1c1ccccc1,-0.4941128329258674
ClCCP(=O)(O)O,-0.48948035185056615
CCCOC(=O)NCCCN(C)C.Cl,-0.4821300753920296
CN(NC(=O)CCC(=O)O)C,-0.48205851709131187
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,-0.47459501352264283
CC(=C)C(=O)O,-0.4594980326196918
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,-0.4402319362267889
CC(c1ccccc1)C,-0.43994816604556397
CCc1ccccc1,-0.4379090355394984
C=Cc1ccccc1,-0.43719545247852387
C=O,-0.43632170013973326
FC(Cl)(Cl)Cl,-0.4049362937526993
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1OC(F)(F)F,-0.40196888769519956
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C,-0.39915433395821653
CCOC(=O)C=C,-0.39394353931557446
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-0.38024743141054806
COC(=O)c1ccccc1O,-0.3740330955456876
CC(OC(=O)Nc1cccc(c1)Cl)C,-0.36925297501043064
CC=Cc1ccc(cc1)OC,-0.3657125618924928
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,-0.3621619134969115
ClCC[N](C)(C)C,-0.3507905474264569
c1ccc(cc1)c1ccccc1OCC1CO1,-0.3443333156812774
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,-0.33817749929653595
CCCCOC(=O)c1ccccc1C(=O)OCCCC,-0.3335681749239878
Clc1ccc(cc1)Cl,-0.3098004456017336
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,-0.2923668466362255
CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C,-0.2818738568701229
CCC(=O)C1=C([O-])CC(CC1=O)C(=O)[O-].[Ca+2],-0.2727695865517595
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.25650126621131825
COc1ccc(c(c1)OC)N,-0.2557065825826247
C[N+]1(C)CCCCC1.[Cl-],-0.25302283361133676
OC(=O)CNCP(=O)(O)O,-0.24905152880508483
O/C(=C\1/C(=O)CC(CC1=O)C(=O)O)/C1CC1,-0.24373236455264888
ClCC#CCOC(=O)Nc1cccc(c1)Cl,-0.24142195171199538
CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl,-0.2269863455252203
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,-0.2268575702887235
NCC(c1ccc(cc1)O)O,-0.21274676478407128
c1ccc(cc1)c1ccccc1,-0.2098365950696554
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,-0.20574554094266215
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.20016624636310748
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,-0.18934992433919778
Fc1cc2CCC(n3c2c(c1)c(=O)c(c3)C(=O)O)C,-0.18500355649180514
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,-0.17788264326532469
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,-0.1774499209718248
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,-0.1558216897179667
O=C(Nc1cc(F)cc(c1)F)N/N=C(/c1ncccc1C(=O)O)\C,-0.14983469671578495
OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO,-0.1491266997426143
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,-0.143545627238422
Oc1ccc(c(c1)C(C)(C)C)O,-0.1315224289130697
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,-0.12749354475678243
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,-0.12313266431090161
C[N]1(C)CCCCC1,-0.11839701195157529
COC(=O)Nc1nc2c([nH]1)cccc2,-0.11647491190833141
CC1=CC(=O)CC(C1)(C)C,-0.1123368357453173
OC(=O)C(CCP(=O)(O)C)N,-0.10167835102796928
FC(Cl)(Cl)F,-0.09363177682894759
OCc1cc(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c(c(c1O)N=Nc1ccc(c2c1cccc2)S(=O)(=O)O)O,-0.08253405287271362
OC(=O)Cc1cccc2c1cccc2,-0.0812392609116973
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-0.07802158052038617
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-0.07802158052038617
CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC.[Na+],-0.07532793416325864
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-0.07217634447896637
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,-0.07114529045108281
Oc1ccccc1c1ccccc1,-0.07003786660775509
Oc1ccc(cc1Cl)C(C)(C)C,-0.06807448990764815
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,-0.06419583586464264
BrC#N,-0.0613770741938875
C#N,-0.05960127976275395
ClC#N,-0.05644745847491751
COC(=O)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C,-0.04898530257071102
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,-0.04743064015554219
Cc1cc(C)nc(n1)Nc1ccccc1,-0.04497070529276922
O=C1CCCCCN1,-0.04324435400848393
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-0.03730695089709131
Clc1ccccc1,-0.027797943350299427
ClCC[N+](C)(C)C,-0.025387799890407722
ClCCP(=O)(O)O,-0.016239191042638865
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,-0.015108160645837197
CC[N](=C1C=CC(=C(c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)c2ccc(cc2)N(C)C)C=C1)Cc1cccc(c1)S(=O)(=O)O,-0.004321373782642578
Oc1noc(c1)C,0.0003866941933463142
CCCOC(=O)c1ccc(cn1)C(=O)OCCC,0.00221620394895718
Oc1cccc2c1nccc2,0.00650645523101598
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.014905998457995392
O=N(=O)c1cccc2c1cccc2,0.020984577481043508
OCCNc1ccc(cc1OCCO)N(=O)=O,0.024388995821753138
Nc1nc(NC2CC2)nc(n1)N,0.027463929127743564
COP(=O)OC,0.04158425126817697
ClCCP(=O)(O)O,0.042579494938849424
OCCn1c(C)ncc1[N+](=O)[O-],0.05729763111133231
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.0649312805778938
ClCC[N+](C)(C)C.[Cl-],0.0653096935781494
CCOC(=O)C1OC1(C)c1ccccc1,0.0713276803117519
Nc1ccc(c(c1)C)NOS(=O)(=O)O,0.074095155651381
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.08181233864107436
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.0840200858597756
OC(C(Cl)(Cl)Cl)O,0.08820873052749173
COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,0.0940800532173745
ClC(Br)Cl,0.10044759579324952
ClCC[N+](C)(C)C.[Cl-],0.10193883123023993
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.10690988899790645
Clc1ccc(c(n1)C(=O)O)Cl,0.10720996964786836
Clc1ccc(c(n1)C(=O)O)Cl,0.10720996964786836
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.10815045306512698
CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC,0.1213920435061682
O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.12242134816022694
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.12325116643447916
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.13153778019143403
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.1399076639183564
CC1OC(C)OC(C1)OC(=O)C,0.1441236220474085
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.15197107789074285
CCCCOCC(OCC(O)C)C,0.17218502835569832
CCCOC(=O)NCCCN(C)C.Cl,0.17556824925514547
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.18340080321223973
CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.18420980481719604
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.18978765094763042
COC(=O)c1ccc(cc1)C(=O)OC,0.19130299738850176
ClC(C(Cl)Cl)Cl,0.1914986939302926
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.19339272766191082
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.19703481698704578
CN(C(=O)Nc1ccc(cc1)Cl)C,0.2011767757795997
O=Cc1ccco1,0.2045023300575414
ClCCl,0.20825322607906688
OC(=O)C1C2CCC(C1C(=O)O)O2,0.20919427624554426
COCCN(c1c(C)cccc1C)C(=O)CCl,0.21190236661970266
NC1CCCCC1,0.21824462534753114
COc1cc(Cl)c(cc1Cl)OC,0.21917163032699746
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.22228326139037405
NC1CCCCC1,0.22924369090623128
ClCCl,0.230105964187831
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCCl,0.2448724686893053
Nc1ccc(c(c1)N(=O)=O)N,0.24556756610630756
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.2478132149114476
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.26004020676066664
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.26105304667829976
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.26170314076675805
CC(C12CCC(O2)(C(C1)OCc1ccccc1C)C)C,0.26229064755923226
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.26235420943811166
COC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2,0.2627675885591969
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.2746274885785479
O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1(C)OC(C)C(C(C1O)N(C)C)OC1(C)OC(C)C(C(C1)(C)O)O)C)O)CC)COC1OC(C)C(C(C1OC)OC)O)C,0.2760684247270624
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.27691392283721084
CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C,0.28374617410396336
COc1c(Cl)ccc(c1C(=O)O)Cl,0.28377121583005716
CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC,0.29065370490612896
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.29099307039793554
CCCOC(=O)NCCCN(C)C.Cl,0.29475225982109493
N#Cc1c[nH]cc1c1cccc(c1Cl)Cl,0.2957207588154646
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.29576366269121235
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.29576366269121235
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.2978797847408851
ClC(Cl)Cl,0.29876887487274084
COC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1,0.3014732021092552
OC(=O)C(Oc1cccc(c1)Cl)C,0.30236968685337956
CN1N(C)C(CC1c1ccccc1)c1ccccc1,0.3050966001866355
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.30713546264273256
CC1OC(C)CN(C1)C1CCCCCCCCCCC1,0.3159000388714622
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.32109939155527684
ClCC[N+](C)(C)C.[Cl-],0.32378208897472166
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3241850105488455
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3273757636235727
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+],0.3286512527182731
CC(C#C)(CC)O,0.32910504647978983
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.3306180266382941
Cc1cc(N)c(cc1C)C,0.3316606839304537
CSC(=O)c1cccc2c1snn2,0.33646868040700656
CCSC(=O)N(CC(C)C)CC(C)C,0.33720440522271905
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.34169281115210776
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.34350890569841486
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3506456666356317
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.35338065059536966
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.3555318676947022
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3608722506294798
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.363652544891169
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3649286265357719
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.36853593732630685
NCCNc1cccc2c1cccc2,0.37248052866231735
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3734030332190271
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.3796661101133605
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.3954067884187704
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.4021732296220636
N#Cc1ccc(cc1)C/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/c1ccc(cc1)C(F)(F)F,0.40346887816639565
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.4039750104769187
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.40399702961561096
COC(=O)Nc1nc2c([nH]1)cccc2,0.40639276248013095
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.41106754767681414
O=C(Nc1ccnc(c1)Cl)Nc1ccccc1,0.4254131908061819
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.43257365514742613
Cc1nnc(c(=O)n1N)c1ccccc1,0.4330678000342624
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.4335389375093063
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.4343292396214822
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.4343882750979413
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.4352511081869822
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.4417235394286475
N=C(NC(=N)N)NCCc1ccccc1,0.4489771869661306
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.44975941346983
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.45437130300715145
OC(=O)C(Cl)(Cl)C,0.4562671121127415
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.4577972175659718
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F,0.4613885686555222
OC(=O)COc1ccc(cc1Cl)Cl,0.46940334082401963
CN(C1C(=O)C(=C(O)N)C(=O)C2(C1CC1C(=C(O)c3c(C1(C)O)cccc3O)C2=O)O)C,0.47171335503894035
OC(=O)CSc1cc(/N=c/2\sc(=O)n3n2CCCC3)c(cc1Cl)F,0.4769562541646596
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4779733071886505
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.4795033665674557
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.48674243602099465
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.49291359170948634
OC(=O)CCl,0.4982973080098996
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.49996946581612567
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5041366495179556
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.5057897307706736
CNC(=O)Oc1cc(C)cc(c1C)C,0.5137821153320272
NC1CC(N=C(C(=O)O)N)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C,0.5145909236774223
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.5178413045887236
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.5180846348916255
CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)OC,0.5209576284133699
CN(C(=S)[S-])C.CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Fe+3],0.5227050622218726
CNC(=O)Oc1cccc2c1cccc2,0.5240819585605319
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(n1)OC(F)F,0.5244304978725236
CNC(=O)Oc1cccc2c1cccc2,0.5255214895917043
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.5294866078313349
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.5406527536056628
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.5446525636058117
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.5520361697732551
OC(=O)COc1ccc(cc1Cl)Cl,0.5520671344078197
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.5521445556544645
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.5555960442504486
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,0.5561895988786021
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,0.5634398293782596
OCC(CCl)O,0.5663901566762818
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.5674957011389724
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.5701024413128524
Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl,0.585645126657133
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.5864152712755908
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5921334169692242
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.5938005763366871
[S]C(=S)NCCNC(=S)S[Mn],0.597669823868334
CC1OC(C)OC(OC(O1)C)C,0.6025814576486522
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.6026162443427237
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.6046910839214119
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.605530807652566
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.6055658314011255
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.6194450778457865
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.6209484238156326
CNC(=O)Oc1ccccc1OC(C)C,0.6216747904039281
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,0.6216929651431873
Cl/C=C/CO/N=C(\C1=C(O)CC(CC1=O)CC(SCC)C)/CC,0.6216929651431873
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.6238064131157152
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6303018610501191
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.6330356796840821
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.6365196444403993
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.6384421385594775
CNC(=O)Oc1ccccc1OC(C)C,0.6394065864347511
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.6466801557572905
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.6485515770908835
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.6502369560120504
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.653607901682671
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.6536665888044787
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.6595162253742823
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.6595558851598816
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.66220142273775
ClCC(=O)N(c1c(CC)cccc1CC)CNC(=O)C,0.6765828786495807
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.6781324193692118
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.6897954111019945
O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C,0.6898804626531899
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6942188487450178
C=Cc1ccccc1,0.6954448498795582
Nc1ccc(c(c1)N)O,0.6959836634792338
c1scc(n1)c1nc2c([nH]1)cccc2,0.7016710119265048
O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C,0.7029620906206402
OC(=O)C(Cl)(Cl)C,0.7054456011689532
OC1CN(C(=O)N1c1nnc(s1)C(C)(C)C)C,0.7098095160296959
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.7103218791002677
N#CCNC(=O)c1cnccc1C(F)(F)F,0.7157046517694734
COP(=O)(NC(=O)C)SC,0.7187847673886838
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.7200594271604471
O=N(=O)c1ccc(c(c1)N(=O)=O)C,0.7289022077868816
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7320074096344176
CN1CN(C)CSC1=S,0.7331335587788191
c1ccc(cc1)Nc1ccccc1,0.7370982373458622
CC1=NNC(=O)N(C1)/N=C/c1cccnc1,0.742513420926119
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.7443416268287478
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O,0.7455486046549836
CBr,0.7470014198431081
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.7471227074362395
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.747924056200199
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.7492385520203118
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.7526160071097443
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7542899704547085
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,0.7554012986711326
CCCCCCC(c1cc(cc(c1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-])C,0.7554012986711326
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.7562924133382095
CNC(=O)N(c1nnc(s1)C(C)(C)C)C,0.7564658981679381
COC(=O)c1ccc(cc1C1=NC(C(=O)N1)(C)C(C)C)C,0.7609258617641064
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.7618534935689649
Cc1ccc(c2c1cccc2)C,0.7623808700538108
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.7713430418910647
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.7722932179393288
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,0.7727047496082895
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.7731424297112764
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.7786640204661717
C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C,0.780075086811172
Cc1cccc2c1n1cnnc1s2,0.7856330784033956
CC(OC(=O)Nc1ccccc1)C,0.7909678031634652
CCOC(=O)CN(c1c(CC)cccc1CC)C(=O)CCl,0.794903952421516
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.8012879425395989
COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC,0.8082696066371436
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.8088844776196935
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.8102570997584302
COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC,0.8115777853641719
Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1,0.8145428425980741
CCNC(=O)NC(=O)C(=NOC)C#N,0.8156209193414036
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.8156209193414036
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.8166447297394875
CON=C(c1ccc(cc1Cl)Cl)Cc1cccnc1,0.816844084565987
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.8200175747074082
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.8226655444942998
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.8244012204816238
c1scc(n1)c1nc2c([nH]1)cccc2,0.8266097485348047
COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C)(C)C,0.829269030662141
c1ccc(cc1)Nc1ccccc1,0.8305313021730596
CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC,0.8328895214033427
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.8340734503909036
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.835290336460121
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.8366596943817484
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,0.8379137597591453
ClC(=C)Cl,0.8404027320125915
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)C,0.8409745087750948
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.8496734635012924
CC(OC(=O)Nc1cccc(c1)Cl)C,0.8526019606523453
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.8527257000881574
CN1CC2CC1CN2c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.8541512434094563
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.8559865342138013
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.8600894441243174
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.8617920673318369
Cc1cccc2c1n1cnnc1s2,0.8620448764676394
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.8622662052462875
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,0.86261423566603
ClC(Br)Br,0.8637869344869751
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,0.864453931664921
O=C(Nc1cnns1)Nc1ccccc1,0.8657910070679165
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.8658866701576757
OC(C(C)(C)C)C(=Cc1ccc(cc1)Cl)n1ncnc1,0.8694411001359859
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.8700524427193329
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.870954940112042
CCCN(C(=O)SCC)CCC,0.8792615944570572
[O-][N+](=O)/N=C(\NC)/NCc1cnc(s1)Cl,0.8854890951511256
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,0.8863239881028999
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.8887374863409347
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.8935371162038789
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.894489815230026
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.9015293343493707
CN(C(=O)C(c1ccccc1)c1ccccc1)C,0.9018410165394664
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.9022916194183701
c1coc(c1)c1nc2c([nH]1)cccc2,0.9035418882825467
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.9056337016638656
CNC(=O)ON=C(SC)C,0.9090369234042683
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.9204208330298691
CCCCc1c(=O)nc([nH]c1C)NCC,0.9228138459141033
COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl,0.9231048061339493
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,0.9233595563296582
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.925329811075993
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.9259885539910551
Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.926061809364747
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cc1c(F)cccc1Cl,0.926061809364747
CNC(=O)O/N=C(\SC)/C,0.9267583523880014
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.9308130748480904
CCNc1nc(NC(C)C)nc(n1)Cl,0.9358790941703782
CBr,0.9360664758369617
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.9364039667089409
N#Cc1c(N)nc(nc1N)NC1CC1,0.9368168120324242
Oc1ccc(c(c1)C)C,0.9408153823686288
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.9432475594325607
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.9526861841846117
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.9562841419387937
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.9574638632778565
CCNc1nc(NC(C)C)nc(n1)Cl,0.9609032895585495
ClCC(=O)N(c1ccccc1)C(C)C,0.9639702693434566
S=C1NCCNC(=S)S[Mn+2]S1,0.9643301653483193
CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C,0.9654517529015312
CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1cc(ccc1Cl)C(F)(F)F)C,0.9654517529015312
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,0.9729767454112964
[O-][N+](=O)c1cnc(n1C)C,0.9735075929471604
COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)/C=C/C,0.9758017677931314
CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C,0.9794315651986374
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.9832172875131593
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.9853114881276623
OC1CC2(O)CC(O)C(C(O2)(C)CC(C=CC=CC=CC=CCC(OC(=O)C=CC2C(C1)(C)O2)C)OC1(C)OC(C)C(C(C1O)N)O)C(=O)O,0.9925936484963287
NC(=N)NCCCCCCCCCCCCOC(=O)C,0.9931062920520995
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,1.0021507314318752
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,1.0057312516417067
Nc1ccc(cc1)Cl,1.0088448353178519
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,1.0114633380715627
Cc1nnc(c(=O)n1N)c1ccccc1,1.0157743222650168
OC(=O)COc1ccc(cc1C)Cl,1.0236179201622833
IC(=C(I)I)I,1.0266458178359923
Clc1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl,1.0286081692924771
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.0293742233117054
Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O,1.031367642488918
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,1.0323677937959128
NC(=O)c1c(Cl)cccc1Cl,1.0332999123599014
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,1.0357262236334814
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,1.0360328271872385
CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.0375833065542488
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,1.037952834230746
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,1.0444517465058447
Nc1nc(NC2CC2)nc(n1)N,1.0444950477343224
O=C1N(OCC1(C)C)Cc1ccccc1Cl,1.047226923919808
COCC(=O)Nc1cc(ccc1NC(=NC(=O)OC)NC(=O)OC)Sc1ccccc1,1.0477404634091794
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,1.0482837317576947
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,1.0502734235899835
CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C,1.050863812602303
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,1.0565846338083325
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,1.0571935794041134
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,1.0603909026446057
CCCC(=C1C(=O)CC(CC1=O)C1CCCSC1)NOCC,1.0653500770992892
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,1.0653500770992892
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.070034717984175
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.0730045445647032
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1.0741672736326
CCCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CCC,1.0760827768868946
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1.0792351019025128
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1.0796261914480385
ClCCP(=O)(O)O,1.0806708219654175
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.0823684740575847
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,1.0855457707987952
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,1.086355661467734
NC(=N)NCCCCCCCCNC(=N)N,1.0914077611524307
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.0914292030286552
CC(c1cc(ccc1O)C(c1ccc(c(c1)C(C)C)O)(C)C)C,1.0968340181230818
CCSC(=O)N1CCCCCC1,1.1019882612024983
N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C,1.1046327112266383
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.1096404686828705
CNC(=O)Oc1cccc2c1cccc2,1.1105470212498103
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,1.1190378586994414
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,1.1196724036355312
Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F,1.1201303088977508
CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC,1.1227611514363303
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,1.1269178314119968
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,1.130222820427892
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,1.1310207139253916
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,1.1362846674663016
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.13636788955756
CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,1.138298355243177
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,1.1405974821668619
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.1432529892239978
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,1.1443173332617613
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.1454085716982032
CO/N=C(/c1ccccc1COc1cc(C)ccc1C)\C(=O)NC,1.1520080543334354
CSc1nnc(c(=O)n1N)C(C)(C)C,1.1549081642369436
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,1.155665748672126
CCO/N=C(/C1=C(O)CC(CC1=O)c1c(C)cc(cc1C)C)\CC,1.1560388165278184
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,1.1607797146866263
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.16083631708535
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1660755529404674
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,1.1692125122974353
CSc1nnc(c(=O)n1N)C(C)(C)C,1.1726371897097654
[O-][N+](=O)NC1=NCCN1Cc1ccc(nc1)Cl,1.1772175409292547
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.1806206011079126
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,1.182467683028378
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1831094015116075
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,1.1840107302272953
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1865991709300072
O=C(N(C)C)Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C,1.187507779053734
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,1.189774204881748
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,1.1902114152572187
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.1921944677293754
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,1.192201228281402
O=C(NS(=O)(=O)c1c(C)cccc1C(=O)O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,1.1940711751182476
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,1.1945535170115598
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,1.1964063352286556
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,1.198143706994319
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.2004664736572608
Clc1cc(F)c(cc1C(=O)NS(=O)(=O)N(C(C)C)C)n1c(=O)cc(n(c1=O)C)C(F)(F)F,1.2027809477033562
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1.2044119266519366
CN(C(=S)SSC(=S)N(C)C)C,1.2049058977607419
CCNc1nc(SC)nc(n1)NC(C)(C)C,1.2065658549221894
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,1.2066217621691122
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,1.2068664410308745
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,1.2093982050371732
CNC(=O)ON=C(SC)C,1.2100810083310742
C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,1.212185432936977
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,1.2165895677016367
CSc1nnc(c(=O)n1N)C(C)(C)C,1.2170546392276442
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,1.2182589824272165
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.2211327542550814
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.225205758260884
Nc1ncn[nH]1,1.2257239703002716
Nc1n[nH]cn1,1.2257239703002716
NC#N,1.2257239703002716
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,1.2267915364902278
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,1.2331337601252212
CN(C(CN1c2ccccc2Sc2c1cccc2)C)C,1.2338475101405761
CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl,1.2405588028663024
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.2435160355573907
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.2436073474297324
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,1.2473140302104877
CNC(=O)Oc1cccc(c1)N=CN(C)C,1.2479822997809782
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,1.248543826213122
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,1.2493219317505007
COc1nc(nc(n1)C)NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na+],1.2508978152709322
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,1.2525804230510118
CCOC(=O)COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,1.253093479525902
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.2544333907376006
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,1.2544489954403404
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2548939653344497
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,1.2578957329638771
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,1.2580215857840296
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.2602062139183252
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.265896559378767
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,1.2677429840395533
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2716218656999372
NC(=NCCCCCCCCNCCCCCCCCN=C(N)N)N,1.2721660588211523
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,1.2728492955894033
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,1.2735988378970775
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,1.2770454101830115
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,1.2774401112445704
O=N(=O)c1ccc(c(c1)N)C,1.279187677997853
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.2798406965940432
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.280188271227964
CNC(=O)Oc1cccc(c1)/N=C/N(C)C,1.2841971462426878
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2848577466043891
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,1.285376897128516
CNC(=O)Oc1cc(C)c(c(c1)C)C,1.286098038116031
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.286820378541783
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,1.2868960417984983
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.287190413172402
CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC,1.2908912329029336
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,1.2941362877160807
CCSC(CC1CC(=O)C(C(=O)C1)C(=NOCC)CCC)C,1.2961242226802938
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2969236723843232
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,1.2984147471171126
COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1,1.3000842641666306
CN(C(=S)SSC(=S)N(C)C)C,1.3018124301338776
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,1.3025526926274749
CCC(C(=O)NCc1ccccc1)Oc1ccc(c(c1)C(F)(F)F)F,1.302657301989526
Cc1cccc(c1O)C,1.3087946941073485
CON(C(=O)Nc1ccc(cc1)Br)C,1.3165566912097522
S=C1NCCCN1,1.3169619721135797
CN(C(=S)SSC(=S)N(C)C)C,1.3202996191280358
[O-][Br](=O)=O,1.321545358579602
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.322183249787766
CC1=C(C)S(=O)(=O)CCS1(=O)=O,1.322776417451734
CCCN(C(=O)SCC)CCC,1.3229499580527195
Nc1ccc(cc1)Cl,1.3276065528189747
CCNc1nc(NC(C)C)nc(n1)Cl,1.3338191028424158
CCOC(=O)Cn1c(=O)sc2c1c(Cl)ccc2,1.3372138456888123
ClCC=CCl,1.3376388791974851
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.3407114619354228
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,1.3428771906003532
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,1.344900000029291
[O-][As](=O)([O-])[O-],1.3468840068344332
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,1.3480148945878891
[S-]C(=S)NCCNC(=S)[S-].[Zn+2],1.3505969838253369
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,1.3533904493269542
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.354479485094126
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,1.3639034458432429
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,1.3650393299393615
S=C1NCCCN1,1.3661781926983205
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,1.3668144329404721
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.367370643858509
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.3685663781727047
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.369877357140688
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,1.370111513834565
CN(C(=S)S[Zn]SC(=S)N(C)C)C,1.371508895032877
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,1.3766679947209994
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,1.3811468505131965
CNC(=O)Oc1cc(C)c(c(c1)C)SC,1.3842918746267547
CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.384376054498974
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,1.3867609023838614
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.386909067965439
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,1.3876506550542822
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1cncc1,1.3926307718235211
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,1.3934036908207148
CNC(=S)S,1.3967148564744987
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.398504958795708
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,1.3989182722159768
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,1.3996588688637353
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,1.4073569873961393
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,1.411773125869789
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,1.4169486617141684
CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C,1.4183119750954112
Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl,1.4216129602890024
CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C,1.4232556456725831
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,1.425436324184721
CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C,1.4258760926640153
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,1.4266525603430633
CC(Cc1ccccc1)N,1.4320213492988039
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,1.4329265583997897
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,1.4341521813264824
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,1.434187587211136
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,1.4395553268068126
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C,1.4462747066967268
CCCSP(=S)(Oc1ccc(cc1)SC)OCC,1.4477577716432979
O=C(C1=C(C)OCCS1)Nc1ccccc1,1.4578096795663429
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl,1.458183705956146
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,1.4588702587486133
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,1.4637193927516177
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.4649211813101468
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,1.4674749278877894
CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C,1.4674749278877894
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.467564135493289
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.4693393488275133
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,1.4703900101310987
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.4704028387745753
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.4717648285027363
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,1.47670887081321
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,1.4773210761437898
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,1.4790581780219383
FC(=C(F)F)CCS(=O)(=O)c1ncc(s1)Cl,1.4826589214770083
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2C(CC(=O)O1)C1CCC3C(C1C2)CC(C3)OC1CC(C)C(C(C1OC)OC)OC,1.4854920926979605
CN1CN(C)CSC1=S,1.4859838195993507
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F,1.4860902121726176
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,1.4910530201781254
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,1.4915914964033394
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,1.4927514860812132
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,1.4934002719580364
Cc1ccc2c(c1)nc1c(n2)sc(=O)s1,1.4947007586050614
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,1.4988448473794327
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,1.500120551043568
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,1.5033332211199513
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],1.5156004979460933
CN(C(=S)SSC(=S)N(C)C)C,1.5176696240691985
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,1.5196049539832321
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,1.521087361070694
Nc1ncn[nH]1,1.5267466629082658
Nc1n[nH]cn1,1.5267466629082658
CC(N1/C(=N/C(C)(C)C)/SCN(C1=O)c1ccccc1)C,1.5306788154847526
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.530737774822598
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,1.5344387080305875
C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,1.5351529104366932
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,1.5359130396208096
N#Cc1cc(Br)c(c(c1)Br)O,1.5392524581558031
CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,1.539447927138442
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.5408639423123824
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.5447895722241949
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,1.5453990229022387
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.5472631473134424
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.5493198912379038
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,1.549581519063189
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.549581519063189
OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.550259406220714
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,1.5534473004973242
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl,1.5561583389288367
[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C,1.5566118285721733
CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F,1.558351987474352
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.558603397145632
Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C,1.5590909179347823
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.5605567725507532
CSCC(=NOC(=O)NC)C(C)(C)C,1.5609358621389502
CCOC(=O)c1ccccc1C1=c2cc(C)c(cc2=[O]c2c1cc(C)c(c2)NCC)NCC,1.5677685143097857
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.56812182123316
O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F,1.5695540488911521
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.571654591815115
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,1.5719462386203693
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,1.5738792912533845
CC(OC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O)C,1.5762300113736614
CCNc1nc(NCC)nc(n1)Cl,1.58034158903942
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.5892227666227903
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.5893745854018753
Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O,1.5913361259361893
OC(=O)C(Oc1ccc(cc1C)Cl)C,1.5913530743442346
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.600222475511201
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.6004820295651263
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.6042019938366077
CCNc1nc(NCC)nc(n1)Cl,1.6056358873728713
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,1.6278800180616648
OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,1.6296719922204896
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,1.6306542448653294
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,1.6343809977454966
CNC(=O)ON=C(C(=O)N(C)C)SC,1.6419889676679056
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,1.6420651529995463
CN(C(=S)SSC(=S)N(C)C)C,1.6429995095590777
OC(=O)COc1ccc(cc1Cl)Cl,1.6454882002557272
CNC(=O)Oc1cccc2c1OC(C2)(C)C,1.6459107778477526
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.6472195324286747
CNC(=O)ON=C(C(=O)N(C)C)SC,1.6507613373118732
CN1CN(C)CSC1=S,1.6539601434301947
CNC(=O)CSP(=S)(OC)OC,1.6613443344212997
Clc1cccc(c1)c1ccccc1,1.6736026866528875
c1cc[n+]2c(c1)c1cccc[n+]1CC2,1.6743201731565742
ClC=C,1.6819157859967353
CCP(=S)(Sc1ccccc1)OCC,1.6925467518283757
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.6936178678498022
CCOc1snc(n1)C(Cl)(Cl)Cl,1.6946486305533763
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.6960699357246314
OC(=O)COc1ccc(cc1C)Cl,1.7003184083376452
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.7008851163994632
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,1.706328134457621
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,1.7106563548813654
CCN(C(=O)SCc1ccc(cc1)Cl)CC,1.7122878245565132
OC(=O)C(CCP(=O)(O)C)N,1.7139254461244264
CNC(=O)ON=C(C(=O)N(C)C)SC,1.718739312944987
CN1CCC(CC1)C1CCN(CC1)C,1.7189666327522726
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.7199454660267528
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.7231247788684516
N#Cc1c(Cl)cccc1Cl,1.7304170139333868
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.7400479400777458
COCC(N(c1c(C)csc1C)C(=O)CCl)C,1.7416261510318811
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.7627076624325413
CC(NC(=S)[S])CNC(=S)S[Zn],1.7630850363724944
CC(NC(=S)[S])CNC(=S)S[Zn],1.7630850363724944
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7646735975166132
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.764850463526756
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.7666484723467257
CCN(C(=O)SCc1ccc(cc1)Cl)CC,1.777777917639287
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.7843888703871507
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7915317697343827
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,1.7930123052435918
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,1.7953374882517812
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,1.7998885403761986
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.8008758853766749
c1cc[n+]2c(c1)c1cccc[n+]1CC2,1.8014803697588322
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,1.8074883004964988
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,1.8152234217491505
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,1.8155357106530094
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.8192148650265614
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,1.820333331309502
N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(I)cc(c1O)I)c1ccc(cc1)Cl,1.8215698600522623
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.8226655444942998
N#CC(c1ccc(cc1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,1.8250684064715574
CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O,1.825126471112583
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,1.8330669051288462
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.8343995974825886
N#Cc1c(Cl)cccc1Cl,1.8376148441427587
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1.8391414693200085
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1CC1,1.8417279953479162
CCNc1nc(NC(C)C)nc(n1)Cl,1.8424525744221922
CON(C(=O)Nc1ccc(cc1)Br)C,1.8429362996173768
CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,1.846185135655471
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.850596120491417
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,1.8510890068906436
CCN(C(=O)SCC)C1CCCCC1,1.8560488835760365
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,1.8563607647254567
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.8596176754405975
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.8615709799939963
CNP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC,1.8628991954208771
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,1.863247733673337
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.8635648295416174
COP(=O)(NC(=O)C)SC,1.8648991662342804
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.8683813356508745
CSc1ccc(cc1C)OP(=S)(OC)OC,1.8705356902176227
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C,1.876475019057268
CN1CCC(CC1)C1CCN(CC1)C,1.8864577200460362
COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1,1.8865580460346785
CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C,1.890691494753251
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=C(C)C1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC,1.895001050700366
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,1.896880746454286
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.8994226972104038
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.9062282185012702
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,1.9105187973125632
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.910554141726166
S=C1NCCN1,1.9123605316873589
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,1.92020393882764
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.9272355789492495
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.9272355789492495
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,1.9432475594325607
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,1.948307358201963
CCCSP(=O)(SCCC)OCC,1.953075825769965
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C,1.9591604053146598
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,1.9637704559137055
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.9700888950875557
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,1.971062922929322
CCSC(=O)N1CCCCCC1,1.9715100834781099
CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1,1.9724057881737742
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1.9817989775037086
COP(=O)(OC=C(Cl)Cl)OC,1.98263271644647
FC(c1ccc(cc1)C=CC(=NN=C1NCC(CN1)(C)C)C=Cc1ccc(cc1)C(F)(F)F)(F)F,1.9951629390616903
CCCSP(=O)(SCCC)OCC,1.997013659143215
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.9984393473574271
OCC(CCl)O,2.002124545188498
c1scc(n1)c1nc2c([nH]1)cccc2,2.002701007590486
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,2.0032782361791086
CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F,2.003948257998995
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C,2.004066604522654
N#C/N=C\1/SCCN1Cc1ccc(nc1)Cl,2.0047071116780755
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,2.0049706079134992
COP(=O)(OC=C(Cl)Cl)OC,2.011905013931404
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,2.016567677914724
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.0223586898833017
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,2.0251706470154947
CON(C(=O)Nc1ccc(cc1)Cl)C,2.0307005985741227
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,2.031451678702528
COCN(c1c(CC)cccc1CC)C(=O)CCl,2.033046777818888
CCCN(C(=O)SCc1ccccc1)CCC,2.03861687869583
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,2.0392344018800066
CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F,2.0436874691588054
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,2.0552459785864565
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,2.0663406481945277
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.0701418925937802
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,2.076476215866559
Clc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Cl,2.083735603129189
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,2.085477026124033
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,2.086832774211438
CN(C(=S)S[Zn]SC(=S)N(C)C)C,2.087517551170895
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.089882745849489
N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,2.0938643699223247
Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.100015437450609
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,2.106487904221944
Fc1ccc(cc1)[Si](c1ccc(cc1)F)Cn1cncn1,2.1159129945213895
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.1221450940410347
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.130733068630403
Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,2.13623711914471
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,2.137081876700897
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.1471176164896835
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,2.1476664224397912
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.149323138641405
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.1583590177532916
CCOP(=S)(SCSC(C)(C)C)OCC,2.159009899464302
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.1597809534601558
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,2.1625567716931373
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,2.1661965219008414
O=N(=O)N1CN(CN(C1)N(=O)=O)N(=O)=O,2.1704903882021958
CNC(=O)Oc1cc(C)c(c(c1)C)N(C)C,2.170818490231342
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,2.170831362029858
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.179450456028215
CCP(=S)(Sc1ccccc1)OCC,2.192857502539446
COP(=O)(SC)N,2.1953767727402536
ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC,2.1973836067160732
COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1,2.197760066703943
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,2.197821700327843
ClC([N+](=O)[O-])(Cl)Cl,2.2158393487780885
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.2190565454174904
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,2.22634517935135
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.244956432365732
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,2.2462254954430265
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.251501873386263
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,2.2516879065790425
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,2.260158776826446
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,2.2645927430857946
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.2677590743838145
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.276363751548955
CNC(=O)Oc1cccc2c1OC(C2)(C)C,2.276700340769475
COP(=O)(OC(C(Br)(Cl)Cl)Br)OC,2.2796504759139355
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,2.2838380008263486
CCNc1nc(nc(n1)Cl)NC(C#N)(C)C,2.2845565889047834
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,2.300578564106544
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,2.303556236861001
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,2.3055264253989747
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.305860052357369
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,2.3072764272991098
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)/C=C(/c1ccc(cc1)Cl)\Cl,2.309954619710552
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.3291791803052426
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,2.3295964190287313
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br,2.3457079184197034
Clc1cccc(n1)C(Cl)(Cl)Cl,2.363431871892868
Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,2.379457960150401
CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC,2.3796869305976593
CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC,2.3796869305976593
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,2.3820356307764845
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.3835770037343176
CCCCSP(=O)(SCCCC)SCCCC,2.4007284258395325
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C,2.408089899068857
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,2.4090356263428507
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,2.4426251517586928
CNC(=O)Oc1cccc2c1OC(O2)(C)C,2.4456562348692845
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.4732602189766197
Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C,2.4811177240761255
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,2.5085682643170304
C1CCN2C(C1)C1CCCCN1CC2,2.5250847639672274
C1CCN2C(C1)C1CCCCN1CC2,2.532628712352521
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,2.535123128541814
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,2.544789572224195
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,2.556345932387095
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,2.574873529491226
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.5773937472129362
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,2.585645126657133
CSc1ccc(cc1C)OP(=S)(OC)OC,2.587220359179703
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,2.605618372320464
S=C1NCCN1,2.611330536023378
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,2.6230764755819704
CO[C@H]1C[C@H](O[C@H]2[C@@H](C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,2.640031784174095
S=C1NCCN1,2.647547338246984
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.656532322530736
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.6742996570840143
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.67993684040502
CCCSP(=O)(SCCC)OCC,2.685458670870119
COP(=O)(SC)N,2.687209307853558
CNC(=O)C=C(OP(=O)(OC)OC)C,2.6954017736563625
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,2.7014962455330385
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.7213378390900194
CNC(=O)CCSCCSP(=O)(OC)OC,2.7260038862407203
ClC1C2(Cl)C3C4C5C1(Cl)C(C2(Cl)C5C3C1C4O1)(Cl)Cl,2.7357253846684157
C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1,2.7420815496859414
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,2.780101260955034
CSc1ccc(cc1C)OP(=S)(OC)OC,2.7913436994927525
COC(=O)C=C(OP(=O)(OC)OC)C,2.8064580114337825
COC(=O)/C=C(/OP(=O)(OC)OC)\C,2.8064580114337825
CCOc1cc(nc(n1)CC)OP(=S)(OC)OC,2.8125920975774465
CCSCCSP(=O)(OC)OC,2.8181849850005256
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.819186224245603
CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,2.839351425563838
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,2.84103473961659
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,2.849366346253572
CCOP(=O)(N1CCSC1=O)SC(CC)C,2.8725388374884626
ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,2.8917394950235265
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.9135689793436312
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,2.9148164919472213
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C.COC1CC(OC(C1OC1CC(OC)C(C(O1)C)O)C)OC1C(C)C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C1C)OC1(C2)C=CC(C(O1)C(C)C)C,2.9375684468373877
COP(=O)(SCCS(=O)(=O)CC)OC,2.9416499077893463
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.9451954997790453
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,2.9542859410591324
CNC(=O)CSP(=S)(OC)OC,2.962374330085281
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,2.992124256232415
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,2.9922948856352196
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,3.003562759689381
COP(=S)(Oc1ccc(cc1)N(=O)=O)OC,3.0223586898833017
CCOP(=O)(SC(CC)C)SC(CC)C,3.034055505212864
CCS(=O)CCSP(=O)(OC)OC,3.0490123894936456
CNC(=O)CSP(=S)(OC)OC,3.0592942995229597
c1ccc(cc1)[Sn](c1ccccc1)c1ccccc1,3.066963437904847
CCOP(=O)(SC(CC)C)SC(CC)C,3.085640973700997
CCSCCSP(=S)(OCC)OCC,3.095966448265008
CSc1ccc(cc1C)OP(=S)(OC)OC,3.14352487453815
COP(=O)(SC)N,3.1496172391186557
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,3.151656905172596
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.1741391562322345
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.181187083707245
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.1828843613117277
OC1CCCCCc2cc(O)cc(c2C(=O)OC(CCC1)C)O,3.207356212694859
CCSCSP(=S)(OCC)OCC,3.211485180279816
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.2146060934806684
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,3.2319615946008633
CNC(=O)ON=CC(SC)(C)C,3.279352906359489
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.2892735261180657
CCSCCSP(=S)(OCC)OCC,3.438385878959815
CCOP(=S)(SCSC(C)(C)C)OCC,3.4600461583436033
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.483914356975709
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,3.558351987474352
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.580821061438942
CCOP(=S)(SCSC(C)(C)C)OCC,3.68189490795996
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,3.6948421712135144
CCOP(=S)(SCSC(C)(C)C)OCC,3.7610761540075845
CCSCCSP(=S)(OCC)OCC,3.8363318462173313
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8624876468778706
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8697627521147706
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.8818676000790955
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,4.192363513110009
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl,4.562186041152654
ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,4.7084979508104