path: root/data/mazzatorta_log10.csv

SMILES,LOAEL
ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,4.7084979508104
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl,4.562186041152654
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,4.192363513110009
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.8818676000790955
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8624876468778706
CCSCCSP(=S)(OCC)OCC,3.8363318462173313
CCOP(=S)(SCSC(C)(C)C)OCC,3.7610761540075845
CCOP(=S)(SCSC(C)(C)C)OCC,3.68189490795996
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.580821061438942
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,3.483914356975709
CCSCCSP(=S)(OCC)OCC,3.438385878959815
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.2892735261180657
CNC(=O)ON=CC(SC)(C)C,3.279352906359489
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.2146060934806684
CCSCSP(=S)(OCC)OCC,3.211485180279816
OC1CCCCCc2cc(O)cc(c2C(=O)OC(CCC1)C)O,3.207356212694859
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.1828843613117277
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.181187083707245
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.1741391562322345
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,3.151656905172596
COP(=O)(SC)N,3.1496172391186557
CCSCCSP(=S)(OCC)OCC,3.095966448265008
c1ccc(cc1)[Sn](c1ccccc1)c1ccccc1,3.066963437904847
CCOP(=O)(SC(CC)C)SC(CC)C,3.034055505212864
COP(=S)(Oc1ccc(cc1)N(=O)=O)OC,3.0223586898833017
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,2.9922948856352196
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,2.992124256232415
CNC(=O)CSP(=S)(OC)OC,2.962374330085281
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
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.9451954997790453
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.9135689793436312
ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,2.8917394950235265
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,2.84103473961659
CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,2.839351425563838
CCOc1cc(nc(n1)CC)OP(=S)(OC)OC,2.8125920975774465
COC(=O)C=C(OP(=O)(OC)OC)C,2.8064580114337825
CSc1ccc(cc1C)OP(=S)(OC)OC,2.7913436994927525
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,2.780101260955034
ClC1C2(Cl)C3C4C5C1(Cl)C(C2(Cl)C5C3C1C4O1)(Cl)Cl,2.7357253846684157
CNC(=O)CCSCCSP(=O)(OC)OC,2.7260038862407203
CNC(=O)C=C(OP(=O)(OC)OC)C,2.6954017736563625
COP(=O)(SC)N,2.687209307853558
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.656532322530736
S=C1NCCN1,2.647547338246984
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=C1NCCN1,2.611330536023378
CSc1ccc(cc1C)OP(=S)(OC)OC,2.587220359179703
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.5773937472129362
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,2.574873529491226
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
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,2.544789572224195
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,2.535123128541814
c1ccn2c(c1)c1ccccn1CC2,2.532628712352521
c1ccn2c(c1)c1ccccn1CC2,2.5250847639672274
CCCCSP(=O)(SCCCC)SCCCC,2.4007284258395325
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.3835770037343176
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,2.3820356307764845
CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC,2.3796869305976593
Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,2.379457960150401
Clc1cccc(n1)C(Cl)(Cl)Cl,2.363431871892868
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br,2.3457079184197034
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.3291791803052426
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,2.3072764272991098
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.305860052357369
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,2.3055264253989747
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,2.303556236861001
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,2.300578564106544
CCNc1nc(nc(n1)Cl)NC(C#N)(C)C,2.2845565889047834
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,2.2838380008263486
COP(=O)(OC(C(Br)(Cl)Cl)Br)OC,2.2796504759139355
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.276363751548955
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,2.2645927430857946
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,2.2516879065790425
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.251501873386263
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,2.197821700327843
COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1,2.197760066703943
ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC,2.1973836067160732
COP(=O)(SC)N,2.1953767727402536
CCP(=S)(Sc1ccccc1)OCC,2.192857502539446
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.179450456028215
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,2.170831362029858
CNC(=O)Oc1cc(C)c(c(c1)C)N(C)C,2.170818490231342
O=N(=O)N1CN(CN(C1)N(=O)=O)N(=O)=O,2.1704903882021958
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,2.1661965219008414
CCOP(=S)(SCSC(C)(C)C)OCC,2.159009899464302
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.1583590177532916
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.149323138641405
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.1471176164896835
Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,2.13623711914471
Fc1ccc(cc1)[Si](c1ccc(cc1)F)Cn1cncn1,2.1159129945213895
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,2.106487904221944
Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.100015437450609
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.089882745849489
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,2.086832774211438
Clc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Cl,2.083735603129189
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,2.0552459785864565
CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F,2.0436874691588054
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,2.031451678702528
COP(=O)(OC=C(Cl)Cl)OC,2.011905013931404
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,2.0032782361791086
c1scc(n1)c1nc2c([nH]1)cccc2,2.002701007590486
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.9984393473574271
FC(c1ccc(cc1)C=CC(=NN=C1NCC(CN1)(C)C)C=Cc1ccc(cc1)C(F)(F)F)(F)F,1.9951629390616903
COP(=O)(OC=C(Cl)Cl)OC,1.98263271644647
CCSC(=O)N1CCCCCC1,1.9715100834781099
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.9700888950875557
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C,1.9591604053146598
CCCSP(=O)(SCCC)OCC,1.953075825769965
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
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,1.92020393882764
S=C1NCCN1,1.9123605316873589
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,1.9105187973125632
Cn1ccc(cc1)c1ccn(cc1)C,1.8864577200460362
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C,1.876475019057268
CSc1ccc(cc1C)OP(=S)(OC)OC,1.8705356902176227
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.8683813356508745
COP(=O)(NC(=O)C)SC,1.8648991662342804
CNP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC,1.8628991954208771
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.8615709799939963
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.8596176754405975
CCN(C(=O)SCC)C1CCCCC1,1.8560488835760365
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1CC1,1.8417279953479162
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1.8391414693200085
N#Cc1c(Cl)cccc1Cl,1.8376148441427587
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.8343995974825886
CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O,1.825126471112583
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.8226655444942998
N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(I)cc(c1O)I)c1ccc(cc1)Cl,1.8215698600522623
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.8008758853766749
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,1.7953374882517812
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7915317697343827
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.764850463526756
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7646735975166132
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.7627076624325413
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.7231247788684516
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.7199454660267528
Cn1ccc(cc1)c1ccn(cc1)C,1.7189666327522726
OC(=O)C(CCP(=O)(O)C)N,1.7139254461244264
CCN(C(=O)SCc1ccc(cc1)Cl)CC,1.7122878245565132
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.7008851163994632
OC(=O)COc1ccc(cc1C)Cl,1.7003184083376452
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.6936178678498022
CCP(=S)(Sc1ccccc1)OCC,1.6925467518283757
ClC=C,1.6819157859967353
Clc1cccc(c1)c1ccccc1,1.6736026866528875
CNC(=O)CSP(=S)(OC)OC,1.6613443344212997
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.6472195324286747
CNC(=O)Oc1cccc2c1OC(C2)(C)C,1.6459107778477526
OC(=O)COc1ccc(cc1Cl)Cl,1.6454882002557272
CN(C(=S)SSC(=S)N(C)C)C,1.6429995095590777
CNC(=O)ON=C(C(=O)N(C)C)SC,1.6419889676679056
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,1.6343809977454966
OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,1.6296719922204896
CCNc1nc(NCC)nc(n1)Cl,1.6056358873728713
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.6042019938366077
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.6004820295651263
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.600222475511201
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.5893745854018753
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.5892227666227903
CCNc1nc(NCC)nc(n1)Cl,1.58034158903942
CC(OC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O)C,1.5762300113736614
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.571654591815115
CCOC(=O)c1ccccc1C1=c2cc(C)c(cc2=[O]c2c1cc(C)c(c2)NCC)NCC,1.5677685143097857
CSCC(=NOC(=O)NC)C(C)(C)C,1.5609358621389502
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.5605567725507532
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.558603397145632
CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F,1.558351987474352
[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C,1.5566118285721733
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl,1.5561583389288367
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,1.549581519063189
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.5472631473134424
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,1.5453990229022387
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.5447895722241949
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.5408639423123824
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,1.5359130396208096
Nc1ncn[nH]1,1.5267466629082658
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,1.521087361070694
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,1.500120551043568
Cc1ccc2c(c1)nc1c(n2)sc(=O)s1,1.4947007586050614
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,1.4910530201781254
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
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,1.4790581780219383
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,1.4773210761437898
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,1.47670887081321
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.4717648285027363
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.4693393488275133
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.467564135493289
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,1.4674749278877894
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,1.4637193927516177
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,1.4588702587486133
CCCSP(=S)(Oc1ccc(cc1)SC)OCC,1.4477577716432979
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,1.434187587211136
CC(Cc1ccccc1)N,1.4320213492988039
CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C,1.4258760926640153
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,1.425436324184721
CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C,1.4232556456725831
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,1.4169486617141684
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,1.411773125869789
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,1.4073569873961393
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,1.3996588688637353
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.386909067965439
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,1.3867609023838614
CNC(=O)Oc1cc(C)c(c(c1)C)SC,1.3842918746267547
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,1.3668144329404721
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,1.3480148945878891
[O-][As](=O)([O-])[O-],1.3468840068344332
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,1.344900000029291
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.3407114619354228
ClCC=CCl,1.3376388791974851
CCOC(=O)Cn1c(=O)sc2c1c(Cl)ccc2,1.3372138456888123
Nc1ccc(cc1)Cl,1.3276065528189747
CCCN(C(=O)SCC)CCC,1.3229499580527195
CC1=C(C)S(=O)(=O)CCS1(=O)=O,1.322776417451734
[O-][Br](=O)=O,1.321545358579602
CN(C(=S)SSC(=S)N(C)C)C,1.3202996191280358
CON(C(=O)Nc1ccc(cc1)Br)C,1.3165566912097522
Cc1cccc(c1O)C,1.3087946941073485
CN(C(=S)SSC(=S)N(C)C)C,1.3018124301338776
COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1,1.3000842641666306
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2969236723843232
CCSC(CC1CC(=O)C(C(=O)C1)C(=NOCC)CCC)C,1.2961242226802938
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.287190413172402
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,1.2868960417984983
CNC(=O)Oc1cc(C)c(c(c1)C)C,1.286098038116031
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,1.285376897128516
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2848577466043891
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.280188271227964
O=N(=O)c1ccc(c(c1)N)C,1.279187677997853
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,1.2774401112445704
NC(=NCCCCCCCCNCCCCCCCCN=C(N)N)N,1.2721660588211523
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,1.2677429840395533
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.265896559378767
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,1.2578957329638771
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2548939653344497
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,1.2544489954403404
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.2544333907376006
CCOC(=O)COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,1.253093479525902
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,1.248543826213122
CNC(=O)Oc1cccc(c1)N=CN(C)C,1.2479822997809782
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,1.2473140302104877
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.2436073474297324
CN(C(CN1c2ccccc2Sc2c1cccc2)C)C,1.2338475101405761
Nc1ncn[nH]1,1.2257239703002716
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.225205758260884
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,1.2165895677016367
CNC(=O)ON=C(SC)C,1.2100810083310742
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,1.2093982050371732
CCNc1nc(SC)nc(n1)NC(C)(C)C,1.2065658549221894
CN(C(=S)SSC(=S)N(C)C)C,1.2049058977607419
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1.2044119266519366
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.2004664736572608
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,1.1945535170115598
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,1.192201228281402
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,1.1902114152572187
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,1.189774204881748
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1831094015116075
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,1.182467683028378
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.1806206011079126
[O-][N+](=O)NC1=NCCN1Cc1ccc(nc1)Cl,1.1772175409292547
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1660755529404674
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,1.1607797146866263
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,1.155665748672126
CSc1nnc(c(=O)n1N)C(C)(C)C,1.1549081642369436
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.1454085716982032
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,1.1405974821668619
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.13636788955756
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,1.1362846674663016
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,1.130222820427892
CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC,1.1227611514363303
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,1.1196724036355312
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,1.1190378586994414
CNC(=O)Oc1cccc2c1cccc2,1.1105470212498103
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.1096404686828705
CCSC(=O)N1CCCCCC1,1.1019882612024983
CC(c1cc(ccc1O)C(c1ccc(c(c1)C(C)C)O)(C)C)C,1.0968340181230818
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.0914292030286552
ClCCP(=O)(O)O,1.0806708219654175
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1.0796261914480385
CCCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CCC,1.0760827768868946
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.0730045445647032
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.070034717984175
CCCC(=C1C(=O)CC(CC1=O)C1CCCSC1)NOCC,1.0653500770992892
CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C,1.050863812602303
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,1.0502734235899835
COCC(=O)Nc1cc(ccc1NC(=NC(=O)OC)NC(=O)OC)Sc1ccccc1,1.0477404634091794
O=C1N(OCC1(C)C)Cc1ccccc1Cl,1.047226923919808
Nc1nc(NC2CC2)nc(n1)N,1.0444950477343224
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,1.0444517465058447
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,1.037952834230746
CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.0375833065542488
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.0293742233117054
Clc1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl,1.0286081692924771
IC(=C(I)I)I,1.0266458178359923
Nc1ccc(cc1)Cl,1.0088448353178519
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,1.0057312516417067
NC(=N)NCCCCCCCCCCCCOC(=O)C,0.9931062920520995
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
[O-][N+](=O)c1cnc(n1C)C,0.9735075929471604
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,0.9729767454112964
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
ClCC(=O)N(c1ccccc1)C(C)C,0.9639702693434566
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.9562841419387937
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.9526861841846117
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.9432475594325607
Oc1ccc(c(c1)C)C,0.9408153823686288
N#Cc1c(N)nc(nc1N)NC1CC1,0.9368168120324242
CCNc1nc(NC(C)C)nc(n1)Cl,0.9358790941703782
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
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.925329811075993
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,0.9233595563296582
COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl,0.9231048061339493
CCCCc1c(=O)nc([nH]c1C)NCC,0.9228138459141033
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.9204208330298691
CNC(=O)ON=C(SC)C,0.9090369234042683
CN(C(=O)C(c1ccccc1)c1ccccc1)C,0.9018410165394664
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.894489815230026
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,0.8863239881028999
CCCN(C(=O)SCC)CCC,0.8792615944570572
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.870954940112042
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.8700524427193329
OC(C(C)(C)C)C(=Cc1ccc(cc1)Cl)n1ncnc1,0.8694411001359859
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.8658866701576757
O=C(Nc1cnns1)Nc1ccccc1,0.8657910070679165
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,0.864453931664921
ClC(Br)Br,0.8637869344869751
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,0.86261423566603
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.8559865342138013
CN1CC2CC1CN2c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.8541512434094563
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.8527257000881574
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.8496734635012924
ClC(=C)Cl,0.8404027320125915
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.8366596943817484
CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC,0.8328895214033427
c1ccc(cc1)Nc1ccccc1,0.8305313021730596
COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C)(C)C,0.829269030662141
c1scc(n1)c1nc2c([nH]1)cccc2,0.8266097485348047
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.8200175747074082
CON=C(c1ccc(cc1Cl)Cl)Cc1cccnc1,0.816844084565987
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.8166447297394875
CCNC(=O)NC(=O)C(=NOC)C#N,0.8156209193414036
Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1,0.8145428425980741
COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC,0.8115777853641719
COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC,0.8082696066371436
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.8012879425395989
CCOC(=O)CN(c1c(CC)cccc1CC)C(=O)CCl,0.794903952421516
Cc1cccc2c1n1cnnc1s2,0.7856330784033956
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.7786640204661717
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.7731424297112764
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,0.7727047496082895
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.7713430418910647
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.7618534935689649
COC(=O)c1ccc(cc1C1=NC(C(=O)N1)(C)C(C)C)C,0.7609258617641064
CNC(=O)N(c1nnc(s1)C(C)(C)C)C,0.7564658981679381
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,0.7554012986711326
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.7492385520203118
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O,0.7455486046549836
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.7443416268287478
c1ccc(cc1)Nc1ccccc1,0.7370982373458622
CN1CN(C)CSC1=S,0.7331335587788191
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7320074096344176
O=N(=O)c1ccc(c(c1)N(=O)=O)C,0.7289022077868816
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.7200594271604471
COP(=O)(NC(=O)C)SC,0.7187847673886838
OC1CN(C(=O)N1c1nnc(s1)C(C)(C)C)C,0.7098095160296959
OC(=O)C(Cl)(Cl)C,0.7054456011689532
O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C,0.7029620906206402
c1scc(n1)c1nc2c([nH]1)cccc2,0.7016710119265048
Nc1ccc(c(c1)N)O,0.6959836634792338
C=Cc1ccccc1,0.6954448498795582
O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C,0.6898804626531899
ClCC(=O)N(c1c(CC)cccc1CC)CNC(=O)C,0.6765828786495807
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.66220142273775
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.6595162253742823
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.6502369560120504
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.6485515770908835
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.6384421385594775
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,0.6216929651431873
CNC(=O)Oc1ccccc1OC(C)C,0.6216747904039281
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.6209484238156326
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.605530807652566
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.6046910839214119
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.5938005763366871
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.5701024413128524
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,0.5634398293782596
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,0.5561895988786021
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.5520361697732551
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.5446525636058117
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.5294866078313349
CNC(=O)Oc1cccc2c1cccc2,0.5255214895917043
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(n1)OC(F)F,0.5244304978725236
CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)OC,0.5209576284133699
CNC(=O)Oc1cc(C)cc(c1C)C,0.5137821153320272
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.49996946581612567
OC(=O)CCl,0.4982973080098996
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4779733071886505
CN(C1C(=O)C(=C(O)N)C(=O)C2(C1CC1C(=C(O)c3c(C1(C)O)cccc3O)C2=O)O)C,0.47171335503894035
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F,0.4613885686555222
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.4577972175659718
OC(=O)C(Cl)(Cl)C,0.4562671121127415
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.45437130300715145
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.44975941346983
N=C(NC(=N)N)NCCc1ccccc1,0.4489771869661306
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.4417235394286475
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.4335389375093063
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.43257365514742613
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.41106754767681414
COC(=O)Nc1nc2c([nH]1)cccc2,0.40639276248013095
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.4021732296220636
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3734030332190271
NCCNc1cccc2c1cccc2,0.37248052866231735
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.36853593732630685
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3608722506294798
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.35338065059536966
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.34350890569841486
CCSC(=O)N(CC(C)C)CC(C)C,0.33720440522271905
Cc1cc(N)c(cc1C)C,0.3316606839304537
CC(C#C)(CC)O,0.32910504647978983
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+],0.3286512527182731
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3241850105488455
Cn1n(C)c(cc1c1ccccc1)c1ccccc1,0.3050966001866355
OC(=O)C(Oc1cccc(c1)Cl)C,0.30236968685337956
COC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1,0.3014732021092552
ClC(Cl)Cl,0.29876887487274084
CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC,0.29065370490612896
COc1c(Cl)ccc(c1C(=O)O)Cl,0.28377121583005716
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.27691392283721084
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
COC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2,0.2627675885591969
CC(C12CCC(O2)(C(C1)OCc1ccccc1C)C)C,0.26229064755923226
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.26105304667829976
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.26004020676066664
Nc1ccc(c(c1)N(=O)=O)N,0.24556756610630756
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCCl,0.2448724686893053
ClCCl,0.230105964187831
NC1CCCCC1,0.22924369090623128
COc1cc(Cl)c(cc1Cl)OC,0.21917163032699746
NC1CCCCC1,0.21824462534753114
OC(=O)C1C2CCC(C1C(=O)O)O2,0.20919427624554426
ClCCl,0.20825322607906688
O=Cc1ccco1,0.2045023300575414
CN(C(=O)Nc1ccc(cc1)Cl)C,0.2011767757795997
ClC(C(Cl)Cl)Cl,0.1914986939302926
COC(=O)c1ccc(cc1)C(=O)OC,0.19130299738850176
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.18978765094763042
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.18340080321223973
CCCCOCC(OCC(O)C)C,0.17218502835569832
CC1OC(C)OC(C1)OC(=O)C,0.1441236220474085
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.1399076639183564
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.13153778019143403
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.12325116643447916
O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.12242134816022694
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.10690988899790645
ClC(Br)Cl,0.10044759579324952
OC(C(Cl)(Cl)Cl)O,0.08820873052749173
Nc1ccc(c(c1)C)NOS(=O)(=O)O,0.074095155651381
CCOC(=O)C1OC1(C)c1ccccc1,0.0713276803117519
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.0649312805778938
OCCn1c(C)ncc1[N+](=O)[O-],0.05729763111133231
COP(=O)OC,0.04158425126817697
OCCNc1ccc(cc1OCCO)N(=O)=O,0.024388995821753138
O=N(=O)c1cccc2c1cccc2,0.020984577481043508
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.014905998457995392
Oc1cccc2c1nccc2,0.00650645523101598
CCCOC(=O)c1ccc(cn1)C(=O)OCCC,0.00221620394895718
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
ClCCP(=O)(O)O,-0.016239191042638865
ClCC[N+](C)(C)C,-0.025387799890407722
Clc1ccccc1,-0.027797943350299427
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-0.03730695089709131
O=C1CCCCCN1,-0.04324435400848393
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,-0.04743064015554219
COC(=O)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C,-0.04898530257071102
ClC#N,-0.05644745847491751
C#N,-0.05960127976275395
BrC#N,-0.0613770741938875
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,-0.06419583586464264
Oc1ccc(cc1Cl)C(C)(C)C,-0.06807448990764815
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-0.07217634447896637
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-0.07802158052038617
OCc1cc(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c(c(c1O)N=Nc1ccc(c2c1cccc2)S(=O)(=O)O)O,-0.08253405287271362
FC(Cl)(Cl)F,-0.09363177682894759
CC1=CC(=O)CC(C1)(C)C,-0.1123368357453173
C[N]1(C)CCCCC1,-0.11839701195157529
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,-0.12313266431090161
Oc1ccc(c(c1)C(C)(C)C)O,-0.1315224289130697
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
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,-0.1774499209718248
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,-0.17788264326532469
Fc1cc2CCC(n3c2c(c1)c(=O)c(c3)C(=O)O)C,-0.18500355649180514
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,-0.18934992433919778
c1ccc(cc1)c1ccccc1,-0.2098365950696554
NCC(c1ccc(cc1)O)O,-0.21274676478407128
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,-0.2268575702887235
ClCC#CCOC(=O)Nc1cccc(c1)Cl,-0.24142195171199538
OC(=O)CNCP(=O)(O)O,-0.24905152880508483
COc1ccc(c(c1)OC)N,-0.2557065825826247
CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C,-0.2818738568701229
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,-0.2923668466362255
Clc1ccc(cc1)Cl,-0.3098004456017336
CCCCOC(=O)c1ccccc1C(=O)OCCCC,-0.3335681749239878
c1ccc(cc1)c1ccccc1OCC1CO1,-0.3443333156812774
ClCC[N](C)(C)C,-0.3507905474264569
CC=Cc1ccc(cc1)OC,-0.3657125618924928
CC(OC(=O)Nc1cccc(c1)Cl)C,-0.36925297501043064
COC(=O)c1ccccc1O,-0.3740330955456876
CCOC(=O)C=C,-0.39394353931557446
FC(Cl)(Cl)Cl,-0.4049362937526993
C=O,-0.43632170013973326
C=Cc1ccccc1,-0.43719545247852387
CCc1ccccc1,-0.4379090355394984
CC(c1ccccc1)C,-0.43994816604556397
CC(=C)C(=O)O,-0.4594980326196918
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,-0.47459501352264283
ClCCP(=O)(O)O,-0.48948035185056615
Clc1cnc2c(c1)ccc(c2C(=O)O)Cl,-0.49516954484866715
CCCOC(=O)NCCCN(C)C,-0.557735717818272
CCOP(=O)O,-0.5604685709801248
Oc1ccccc1,-0.5629111450476486
CC1CCC(C(C1)O)C(C)C,-0.5791888919086445
C=Cc1ccccc1,-0.584399077579434
CCc1ccccc1,-0.5846816852406054
CC(c1ccccc1)C,-0.584772080866149
COc1ccc(cc1)N,-0.5853366276411315
OCCO,-0.6050786798589156
CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,-0.6072297750805989
CCCOC(=O)c1cc(O)c(c(c1)O)O,-0.6097651056927426
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,-0.6264019650606861
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)N(=O)=O,-0.6343160172184156
O=c1ccc(=O)[nH][nH]1,-0.6494127520818966
S=c1sc2c([nH]1)cccc2,-0.6516946592276465
CC(OC(=O)Nc1cccc(c1)Cl)C,-0.6702736915717395
Oc1ccccc1c1ccccc1,-0.7690226551851297
OC(=O)CNCP(=O)(O)O,-0.7719253789441974
CCOc1ccc(cc1N)NC(=O)C,-0.7854010249923875
Nc1ccc(cc1)O,-0.7983951029360405
NC(=S)NNC(=S)N,-0.7996024258846957
NC(=O)c1cnccn1,-0.806776718728446
OCCO,-0.8091959669673487
OC(=O)c1ccc(cc1N)N(=O)=O,-0.8133274093241547
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,-0.8280021578068849
ClCC(=O)c1ccc(cc1)NC(=O)C,-0.8730472649380243
COc1cc(c(cc1NN=C1C(=O)C=Cc2c1ccc(c2)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+],-0.8769045453148221
O=C1OC(=O)c2c1cccc2,-0.9031171295488665
CCCOC(=O)c1ccc(cc1)O,-0.9203372888854956
OCC(C1OC(=O)C(=C1O)O)O,-0.9456310458740838
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,-0.9503599855766129
O=C1CCCCC1,-0.9671827907251261
OC(=O)C=CC(=O)O,-0.9690989294838307
COC(=O)c1ccc(cc1)O,-0.9938284615355355
COC(=O)c1ccccc1C(=O)OC,-1.0128372247051722
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
P12P3P1P23,-1.0748529958812472
OCCO,-1.1709068089307477
OCCO,-1.207122497650964
CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.2234180569052944
OCC(C1OC(=O)C(=C1O)O)O,-1.2386231053847003
[O-]S(=O)(=O)NC1CCCCC1.[Na+],-1.2528772925637603
O=C1NS(=O)(=O)c2c1cccc2,-1.293649779215835
CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.2981322917796099
CCOC(=O)c1ccccc1C(=O)OCC,-1.300073495267144
OC(=O)c1ccccc1N,-1.3023309286843994
OCCO,-1.5081659713033675
OCC(CO)O,-1.8735472827377653