path: root/data/Lowest_observed_adverse_effect_level-Rats.csv

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