path: root/crossvalidations/cdk/tensorflow/pred.lr2.v4.csv

name,pred
C1CC=C2C(C1)CCc1c2cccc1,0.2956957478068695
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.7936350602645487
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8799526808554055
ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.927367989169652
C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.13899592078276538
COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.22643175170411584
CC(=C)C(Cl)C,0.28477754456557763
Oc1ccc2c(c1)oc(=O)cc2C,0.3552415572577895
NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.5976648847686099
C1COCCS1,0.08706974483594235
c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9097528045940925
C/N=N/O.[K+],0.6748285724464045
COC(=O)c1ccccc1C(=O)OC,0.20497662012087312
CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.5890991121822159
[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.5940494465379541
COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.8373196544994395
Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.8041295113838843
C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.016679668862528692
CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.23447870483333105
OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.6539988348041134
c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.263083438461814
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.31303357602016313
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.0718845719689068
NNC(=O)N,0.7182534742782924
[O-][N+](=O)c1ccc2c(c1)CC=C2,0.750750800952451
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.17100744892583233
CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.5670003166528736
O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.31997469147358465
Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.8537413426804107
CN(C#N)N=O,0.9180985154091745
Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.053767231722662526
Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.6468391372979067
Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.749406496435088
OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.03380571894192445
ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9857662087742345
O=C1C=CC(=O)c2c1c(O)ccc2,0.5453202545769947
CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.6389660462125495
Oc1cc2ccccc2c2c1cccc2,0.6598649467606448
Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7835573289630596
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.11760462116724107
OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.0379564332404977
Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.47190479229118953
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.2562425745571663
Cc1ccc2c(c1)nn[nH]2,0.8145995443931454
O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.37907489876073425
ClC(=O)c1ccc(cc1)C,0.526140347419324
Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.976059675716699
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.14875921067410108
CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.059266917655364265
O=Nc1cc2OCOc2cc1O,0.7807522315771219
c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.511689392677568
NCc1cccc(c1)CN,0.20942191147325065
CC(COC(=O)C(=C)C)C,0.22696950797907325
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.32754237930281094
Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.6529743990085707
CCC1(C(=O)NCNC1=O)c1ccccc1,0.0662430612015861
[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9343548143897682
CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.41168533249888173
OC[C@@H](CCl)Cl,0.7412896802365355
CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.4448026493200948
C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.7268961966897282
SC(=N/C=C/N=C(S)S)S,0.605983037057385
O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.1915259498385396
COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.09935820877691232
OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.07741580147925174
CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.6261696522374107
Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.9472956792579609
CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.04339155865531974
CCCCOC(=O)CCC,0.12848259845627596
OC1=C(C)CCC1=O,0.4791420133570981
Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9895459074419151
Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9755545226124057
BrC(=C)C(=O)C,0.09175762298906462
O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7676069842794447
CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.7125101933599833
CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.20622496100634133
Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.2394755186530314
COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4733330382358509
O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9068099241405592
OC(=O)C(Cc1ccc(cc1)O)N,0.06864100485101024
Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.8291655141776612
COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.6903068931684961
COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.23551959522050606
[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8394871656209034
CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.16031236381500458
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.6634971534296386
C1CCC[C@H]2[C@@H](CC1)O2,0.3879296329337942
Nc1ccc2c(c1)nc1c(c2N)cccc1,0.912399033019566
COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.47903247511427544
CC(=O)Nc1ccnc2c1cccc2,0.3713817166211007
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.10832621609998755
CNC(=O)ON.Cl,0.6759155703341174
CCCCOCCOCCSC#N,0.42777556177193327
[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9662126348276664
OC(=O)C(CCl)Cl,0.7032955594618326
Cc1ccc(c(c1)N)[N+](=O)[O-],0.9198789711034228
O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8477036374271562
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.3895948219742498
OC(=O)/C=C/c1ccc(cc1)Cl,0.08330885062907893
O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.03791877574111074
CC(=O)Nc1cccc2c1-c1ccccc1C2,0.7467328104695533
CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.20458964762664444
C=CCOC(=O)C=C,0.2635485786815943
O/N=C(/c1ccc(c(c1)O)O)\N,0.6876384156238452
[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9747389333566399
Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8882079624539148
O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.66497807647944
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.1222765879041101
Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.7001247799026699
[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.8153209141759585
OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.15950069504585185
[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9517213906730629
ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.30626989314544556
CCO,0.042574562418763555
O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.3572572274854707
OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.1262120124202895
[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.8774664130859549
N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.03478741531727806
CCCCCCCCO,0.09180919060200281
[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9838973402446894
Nc1ccc2c(c1)[nH]c1c2cccc1,0.9531487900670583
OCC(CO)O,0.10103766233731311
NC(=O)NCC=C,0.6399248914798665
COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.816652534976048
COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.17351910784003027
O=NN1CCCC[C@H]1C,0.7548009994160794
c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.8424894086737125
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.03176711736148513
n1ccc(cc1)c1ccncc1,0.33680839358844017
Nc1ccc(c(c1)N)N=Nc1ccccc1,0.9187217103526258
N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.37163891666838633
O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.3668701856430904
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.2811730286845616
ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.4298504631957413
ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.7589671668831007
Cc1c2ccccc2c(c2c1cccc2)C,0.7704966955523402
O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6757406831789928
OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.046649427413288966
C[N+]1=CC=C(CC1)c1ccccc1,0.18337784688847036
OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6832601002978977
Cn1c(N)nc2c1cccc2,0.627969054216977
COc1ccc2c(c1)nc([nH]2)N,0.6672698421356366
CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.715961208035247
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.6092322133148793
Nc1cccc(c1C)N.Cl.Cl,0.7181060551441868
OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.7751533690049616
Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9149065678279896
COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.42688482028578434
CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.7754813875258048
C[C@H](CNC[C@H](O)C)O,0.06605845002711762
O=Cc1ccc(c(c1)Cl)Cl,0.30738212957657013
ONc1ccc(c(c1)C)C,0.6431505932182189
Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.1683635771967928
OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.6731643618185388
CCCCN(COC(=O)C)N=O,0.8753567712677958
OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.4018433078084359
CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.9674100946248125
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8689559922284007
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.7318692442688028
OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.03201404735314482
Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.8332613381101338
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.45352129575748634
ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.6168753999886002
[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.8325064455046326
Nc1ccc2c(c1)cc1c(c2)cccc1,0.962205786537653
O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.08909278173239969
OC(C(F)(F)F)C(F)(F)F,0.07186792806557457
Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9333187693303611
CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8220772241868869
CCCCCCCCCCCCCCCC[C@H]1CO1,0.4799319756689873
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.5086935261696627
OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.8334506451520356
C=CC(=O)OCCCCCOC(=O)C=C,0.4298359454436156
NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.9487947397676766
COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.5135916859396213
OC[C@@H](CBr)Br,0.9139617589135514
Cc1ccc(c(c1O)C)C,0.08907365948213909
ClN1C2C1c1ccccc1-c1c2cccc1,0.9559965176452525
CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.41483083278423205
O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.19230171902545984
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.45837058617764637
Fc1cnc2c(c1)cccc2,0.3494478197805878
O=CC=C(C)C,0.3394978697852501
O=Nc1cccc(c1C)[N+](=O)[O-],0.8874230151155346
OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.7306474531703252
CC(=O)Nc1ccc2c(n1)cccc2,0.42476108879286995
COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.5010042287464588
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.15194342603483652
ClC(C(Cl)(Cl)Cl)Cl,0.5589439045057345
[O-][N+](=O)c1cccc(c1N)N,0.8938582698606636
COC(=O)c1ccc(cc1)C(=O)OC,0.2248340030385589
Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.3625993940992914
ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.23691554178589075
BrC(C(Br)(Br)Br)Br,0.6732540967450847
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9748001689690794
CCNc1nc(NCC)nc(n1)Cl,0.11400078932721142
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.6731643618185388
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.3304738190464203
CCOC(C(=O)C(O)O)C,0.1655583637066154
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.7193288098220689
c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.9297475589617249
NCCc1cc(O)c(cc1O)O,0.48718791805833633
NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9947947060132669
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.5597019859533309
Nc1nc2-c3cccnc3CCc2s1,0.8479078301763998
O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.2971908678536861
[O-][N+](=O)c1ccccc1N,0.8178717648524374
ClCCNCCCl,0.8728302554824265
OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.3381879737709293
C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.43206302653933915
Oc1ccc(cc1)[N+](=O)[O-],0.7955621961326629
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.01630463037747969
C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.8936091804631283
ONc1ncnc2c1ncn2Cc1ccccc1,0.6244922874725166
O(Cc1ccccc1)C[C@H]1OC1,0.8851627917048979
c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.8551088123991925
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.48761748565399277
CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.2422386744790462
OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.37238820011459844
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9696357608795926
CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8897812947004113
CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7212771485285865
OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.15245168282959154
Nc1cccc2c1nc1c(N)cccc1n2,0.8874683100934436
OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.07861174631454791
COc1ccc(cc1)C=O,0.3289145683706548
CN(C(=O)C#N)C,0.23501986274288617
CCCC(=O)Nc1snc2c1cccc2,0.22340576840002443
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.38597723033867776
Clc1ccc(cc1)[N+](=O)[O-],0.6233332319868339
OCc1cccc(c1)[N+](=O)[O-],0.7127069957607499
CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.11516178332475187
N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.05606441702588612
OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.22482508597425824
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.63717972310647
O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.07638863275475995
O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.5819152487341366
O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.5190249265176445
CC/C=C/C=O,0.32695002619563795
CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.09072827828850351
N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.08744898843954695
OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.25719771377541567
ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9559965176452525
CCCCCCCCBr,0.3652534413757845
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9864953769405588
CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.10452254099367583
BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9610343578755385
C1CCC(CC1)N=C=NC1CCCCC1,0.15445960381102727
[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.8455865832088525
[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.9148170123529
CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.13996649633441471
O=C1CCC(=O)O1,0.18890542547927106
BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9792112978654689
[O-][N+](=O)c1cccc2c1nsc2,0.8323268314282013
CNC(=O)NO,0.36388382989117735
Nc1ccc2c(c1)ccc1c2cccc1,0.9572988650623616
O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.14057238382298154
O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8517950115665687
OC(=O)/C=C\C(=O)O,0.08627759266728885
CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.008887819733356853
CC(=O)OO,0.5451678282650072
CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.3554289710991057
COC(CCOC(=O)C)C,0.3797583288097464
ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.34846973345177
CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.863137275953275
CCCC[C@H]1CO1,0.8026855590592321
C1CC2OC2CCC2C1O2,0.6728614930575179
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7506859906788358
Oc1c2ccccc2nc2c1cco2,0.4194877809033016
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9843425635324133
[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.3467271818445671
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.2268827533988628
Fc1ccc2c(c1)nccc2,0.4898143015628231
Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8289727618520873
[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9811689877777608
Br[C@H](CBr)COC(=O)C=C,0.5341289369473514
c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.44618532671770705
ClCc1ccc(cc1)OC,0.5045915608356476
ONc1cnc2c(c1C)nc1n2cccc1C,0.8689023142305098
O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.28123867946741277
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.890012039998871
COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.572223526003315
[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8692115061052554
OC(=O)C[C@@H](C(=O)O)C,0.07977531476849259
ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.8790617043149573
O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.6454262464414278
COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.04123443461811499
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.828949687338368
CC(Br)Br,0.6684695156384457
Nc1cc2nc3ccccc3nc2cc1N,0.932129366917529
Nc1ccc(c(c1)Cl)C.Cl,0.7814809213422166
CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.11825772929160003
[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9931254044840568
OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.24866385558271334
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7669746611620598
Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.8485383621201804
C=CCCC(C=O)CC,0.1465888610932747
CC/C=C/[C@H](C=O)CC,0.13732200038103726
O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9542224685836421
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.4833934812855885
[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.8566232294814433
O=C1NCCN1c1nccs1,0.5202443922158142
C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.7424393290771087
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.9386838879942454
Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.4439940093941036
CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.2463655940696602
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.1166542077686298
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.862481376960839
OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.016817370933399984
NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.04187578660352673
Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.2695803232538288
Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.930558747300082
OCOC(C)(C)C,0.027795519123071127
c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.8119913956839617
O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.6412228265398959
O=Cc1cccc(c1Cl)Cl,0.28453211811692963
Clc1nc2ccccc2nc1Cl,0.1550409090613542
O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.7753330474491791
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.3073629883558403
Cn1c(O)nc(nc1=O)NC(C)(C)C,0.11394857313516162
[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9886994898637455
ICCc1ccc(cc1)OCc1ccccc1,0.3630303341400053
CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.7813145081910225
N#Cc1cc(c2ccncc2)c(nc1O)C,0.2320027369957345
N#Cc1cccc(c1)C#N,0.1700528303644861
CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.876612719284163
Cc1cccc2c1ccc1c2ccc2c1cccc2,0.8823701583977015
C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.145116460207422
Cc1cc2cc3ccccc3cc2c2c1cccc2,0.9230465016805257
COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.7777754173337623
N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.80370688528485
COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.6876295074445644
Nc1cccc2c1c(=O)[nH][nH]c2=O,0.47575399079692254
C/C=C/c1ccc(cc1)OC,0.5038059661961714
NNC(=O)CNC(=O)C=N#N,0.9409183593772952
OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.1757554873749569
Cc1ccc(cc1)N=NN(C)C,0.7420505642749216
ClCCC(=O)N(c1snc2c1cccc2)C,0.681281194516668
Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7336887938316758
CC(=O)Nc1cccc2c1nccc2,0.46111768383296303
C(C[C@@H]1OC1)CC[C@@H]1OC1,0.8057216598664833
CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.16127733447984685
Clc1ccc(c(c1)Cl)C(=O)Cl,0.11942549974511901
O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.5566122053862804
BrCc1ccc(cc1)Br,0.44373065542082507
c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.6664173651427289
COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.37597475323361873
O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.14345524824154943
C/C=C/C,0.1461646565980303
Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.859442810840101
CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.7038193811539784
NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.1490323188159956
O=C1NC(=O)NC(=O)C1(O)O,0.1301630823028794
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.04854946321323663
Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.7689721868399416
C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.6476857665230297
Nc1nc2c(s1)ccc1c2cccn1,0.9419418229518257
Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.12318553106182523
CCCCOB(OCCCC)OCCCC,0.04390632361510797
Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.3280245548543779
CC(=O)c1ccc[nH]1,0.5439387188257341
O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.03673871709261178
Clc1ccc2c(c1)nc([nH]2)N,0.5142950570108443
CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.3345461093219266
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.19462606467484522
CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8350123670987708
CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.04459111124130974
CNC(=O)Oc1ccc(cc1)c1ccccc1,0.3416311116787056
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.04584624731508321
CCCCSCC[C@@H](C(=O)O)N,0.23964187557765387
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.708076567280182
Cc1ccc2c(c1)nc(n2C)N,0.7069326621856806
Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.8410969506518179
Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.04247084050573478
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.9017115701261403
O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.11453002425792021
ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.4408750944435027
c1cnc2c(c1)CCC1C2O1,0.291944750508261
[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.3707174941175422
CCCCN(CC(=O)C)N=O,0.8809992205231838
O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.13132517530474153
c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.7320775355024202
ONc1ccc(cc1)Oc1ccccc1,0.7606575908309996
COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9772378301420398
CCOC(=O)CNC(=O)C(Br)(C)C,0.5612132299682687
CCC/N=N/O.[K+],0.7647577371647349
Clc1cc(Cl)c2c(c1)c(N)sn2,0.7730062865612576
O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.4922501829920818
Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.12727353692369428
CC(=O)c1cccc(c1)[N+](=O)[O-],0.8584996561315033
Cc1cccc2c1cc1ccccc1c2,0.8948188765272305
Cn1ccnc1S,0.323187872726012
COc1cc(cc(c1O)OC)C(=O)C,0.21883212962730597
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.18758065280704156
O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.41968832569976616
Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.46977945998784054
CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.654027389275639
CC(NCC(c1ccc2c(c1)cccc2)O)C,0.3712724883835763
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.20456687873374957
NCCNCCO,0.42798842627938194
COc1ccc2c(c1)[nH]c1c2ccnc1C,0.7250413964242592
CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.7164302951882043
Cc1cccc(c1)N.Cl,0.5876868414007175
Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.03047793239865896
Nc1ccc2c(c1)nc1c(n2)cccc1,0.87749675389366
CC(=O)Nc1ccc(cc1)N,0.54662796707427
O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.9052520438452158
CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9745537460828576
[O-][N+](=Nc1ccccc1)c1ccccc1,0.421674136061258
OC(COc1cccc2c1C=CC2)CNC(C)C,0.1963923361768486
c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9237118756719133
OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7498814400857617
OC(=O)CCN[N+](C)(C)C,0.03961405596155887
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.985420712182528
COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.5135916859396213
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.2287480772898074
N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.18779239140490434
COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.670445598317613
OS(=O)(=O)O.COc1ccc(cc1N)N,0.5869603367464079
Clc1ccnc2c1cccc2,0.4347398548272285
OCc1ccc(cc1)Br,0.23261590152971073
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.01708878191905704
Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9286015728000074
c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.8671682646603952
CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.05612116568631086
OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.3309846333051524
Cc1nc2c(nc1C)ccc(c2C)N,0.7486717378224944
CC(c1ccccc1)Cl,0.5820677558156035
CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.24795899282456882
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.985513656860776
Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7311061636807474
OCCN(CC(=O)O)N=O,0.5717088708721448
O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.04650182309974504
Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.522801345279416
C[Si](N=N#N)(C)C,0.8476817032293796
O=Nc1ccc(cc1)N(C)C,0.889075922141762
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.04903345626264296
O=Nc1ccc(cc1)Sc1ccccc1,0.7696695353232937
Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.701275935122024
COC(C)(C)C,0.09007273226113093
COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.4851313896007815
ClCCN(c1ccc(cc1)C)CCCl,0.8153323905119334
NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.1958621754983838
CCOCCOCCOCC,0.3385889110356767
COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.7841945064021656
Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8539582649339883
C/C=C(/C=O)\Cl,0.650951306238042
CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.21792075773285496
Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.4306814466407621
OC(=O)/C=C/c1c[nH]cn1,0.06005247521077534
NC(C(=O)O)CSC(C(F)F)(F)F,0.3608109077201514
OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.14663082874188912
COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.7434469248991984
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.08499709546905948
O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9735015990504656
OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.37523626476341143
Clc1ccc(c(c1)Cl)N,0.6517614371302725
CCCC[C@@H](C(=O)O)CC,0.016093412355216316
N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.1027689687155445
N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.115608244343067
O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.2497256159840276
CCN(C(=S)SSC(=S)N(CC)CC)CC,0.5816211758268148
[N-]=[N+]=NC[C@@H](CO)O,0.9480049952808486
CC1(CO1)C=C,0.5779482241831743
CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6626628521771131
CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.04376565658105707
c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9032134287385823
O=CN(c1ccc(cc1)c1ccccc1)O,0.8015593130688704
CC(=O)CC(=O)C,0.08372406354570515
OC1CC2C(C1(C)CC2)(C)C,0.011574890249103244
CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.6067085666685131
NC(C(=O)O)Cc1ccccc1,0.06359713727648884
ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.6194784175186299
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.7047637842774866
[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7364795907712366
N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.05222359262137316
[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.682986718641152
Nc1cccc2c1C(=O)c1ccccc1C2=O,0.8801303753427896
Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9217689025249894
O/N=C/c1ccncc1,0.43711509341000715
OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.04376058615678563
[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8205136150230022
[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.916612600595966
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.968561777265852
Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8972260834279208
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.0076981643697670845
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.6092322133148793
COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.03712846866359956
[O-][N+](=O)c1ccc2c(c1)cccc2,0.9310720300682728
O1CCOCC1,0.07021082353821832
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.09738273756026157
CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.04203531305814644
c1ncn[nH]1,0.17912734088509388
OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.16319415446316432
C=CCCCC[C@@H]1OC1,0.8540168902010233
ClC(=C(Cl)Cl)CS(=O)(=O)O,0.18193117806046585
COc1cc(ccc1NC(=O)C)NC(=O)C,0.46660184770916974
OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.30772775580375
CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8039844861897941
CN(N=O)CC,0.8967577722168473
Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.3125967567853413
CC(=O)Nc1snc2c1cc(Cl)cc2,0.5349695531898675
CC(=O)c1cccn1[N+](=O)[O-],0.8362317760799596
Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7688707837441084
Cl[C@H]1O[C@H]1CBr,0.9932274691264533
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.3632025391625383
OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.3078882125436473
CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.041555915766819884
Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.38023500742653493
Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.5998340431640365
c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.11671375968245509
O=NN1CCC[C@@H](C1)C,0.7636754001990654
COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8056466582460668
Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.09649179470104095
O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.16387234495219877
OCC(=O)N(c1ccc(cc1)Cl)O,0.30979103560671967
c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.8750899642928098
OC1c2ccccc2Oc2c1cccc2,0.2541472947572743
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.07927210991111254
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.665671614640754
ClCC(=O)Nc1c(CC)cccc1CC,0.3846134300576245
Nc1nc2c(n1C)ccc1c2cccn1,0.8960438325946632
Clc1cccc(c1NC1=NCCN1)Cl,0.40071009519208034
CC(C(C)(C)C)OP(=O)(F)C,0.05381819964798791
CCN(CCCC(=O)O)N=O,0.8170409395369284
Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.883437776923632
C=CCc1ccc2c(c1)OCO2,0.43652976962033085
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.11967317655505054
OC(=O)/C=C/Cl,0.7221371306806883
O=CC=CNCCCCC(C(=O)O)N,0.3590073329384192
CNc1ccccc1N,0.7982627374221493
CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.03718261476639926
COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.45794622196019436
O=NN(Cc1ccccc1)Cc1ccccc1,0.6459613787861529
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.17270466263284395
CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.4644395016267737
OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.0397590361969444
Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.17061530622047721
N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9405209623185721
CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.011034679626437076
CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.9252901039419797
Cc1cccc2c1nn[nH]2,0.8582348194902543
NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.0613429606133029
O=C1NS(=O)(=O)c2c1cccc2C,0.2832664860377328
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.1925727155894638
Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.9110404584514112
Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.7295539744428845
OC(=O)c1cc(Cl)cc(c1)Cl,0.12215761107647556
Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.8793478170202196
Cc1ccc(c(c1)N)C,0.4849036003284333
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9875148343515817
CCCNc1snc2c1cccc2,0.5783764143525659
c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.9452907389955068
COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.8616743839277881
CC[C@H](c1ccccc1O)C,0.041372177071633674
CNC(=O)NC,0.16284080060866463
c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8298571072997261
Nc1cccc(c1C)N,0.7181060551441868
OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.4058344050371627
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.2597766174421319
OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.08627759266728885
CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.032948935090686506
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.24313323065958617
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.04971470064274103
O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.12049962023244669
Fc1cccc2c1nccc2,0.3661287460509333
O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.03797607390421094
C=C[C@H](c1ccc2c(c1)OCO2)O,0.5120194975990767
OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.21126492938766847
OC1C(O)c2cccc3c2c2c1cccc2cc3,0.7075796999797127
OCC1CC1,0.3257536299182342
ClCCN(C(=O)NC1CCCCC1)N=O,0.8931318462633918
CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.6621736908576765
CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.0104235123139973
ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.4298504631957413
CC/C=C/C,0.09860403631505969
ClC(c1ccccc1)C(=O)Cl,0.4105388317386698
C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.49123682166476185
ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.030111659811097684
C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.7268961966897282
OCC(C(=O)O)N,0.12614190584847343
OCC=C(CCC=C(C)C)C,0.14928042353960805
N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9837073292707662
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.890002937146629
CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.8994156361099038
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.706818487098144
Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.6805993139371442
C=CCc1ccc(c(c1)O)O,0.3340450450034063
FC[C@H]1CO1,0.934658060735825
Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.009624134725910026
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.17410516505307622
CCCC(=O)Cl,0.4096653832441114
OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8941262571968468
CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.2568725440647886
OC(=O)Cc1ccc(c(c1)O)O,0.06967621490488508
CSCC(C(=O)O)N,0.17895303514258004
CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.40607958618874496
O=NN(CC(=O)O)CC(=O)O,0.2758357147292865
OCC(Cl)(Cl)Cl,0.5060714201359527
ClC(=O)c1c(Cl)cccc1Cl,0.1791081086208439
Nc1cccc(c1)Cl,0.556770006869895
Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.35590799520294075
O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.7632094722244885
Clc1ccc(cc1)[S@](=O)C,0.2842528454983148
OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.7502722200178061
C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.4497827676086334
COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.5600504689960211
CCCCCCOC[C@H]1CO1,0.8365213412362502
NC(C(=O)O)Cc1ncn[nH]1,0.030312275664575686
Clc1ccc(c(c1)Cc1ccccc1)O,0.12161667885111162
Nc1nc2c(n1C)c(C)cc1c2nccn1,0.9141405558806381
Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.8613504736271352
O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.05785237161967083
CC(=O)Nc1cccc2c1ncc(c2)F,0.26507970316639845
O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.5111562636612168
O=NN1CCN([C@H](C1)C)N=O,0.8886634638938399
C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.5163162291202057
c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.844266245819531
O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.6310119518899974
Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.8674534506246768
O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.6427849260514034
Nc1nccs1,0.5823909890924862
O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.17195225376793452
[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.8509834562347933
O=C1C(O)CC(N1C)c1cccnc1,0.058330789814534205
OCCCCN(N=O)C,0.9016033067572613
ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9153194756718985
OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.6580929069571372
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.19081435786658066
OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.12392185522479227
OCC[N+](C)(C)C,0.01373620829921106
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.928195662891773
C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.7549271513656851
CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.6887560560410184
CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.038209988754132014
CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.04629089253447233
CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8085550581806258
O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.8308327669308446
FC(c1ccccc1)(F)F,0.23199796292447442
C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.01290470485584688
[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9608059505333633
N#Cc1ccc2c(c1)n(C)c(n2)N,0.7510322032922295
Ic1cc(Cl)c2c(c1O)nccc2,0.353362543781801
BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.5169686157937976
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.7332367147567458
Fc1cc2cccnc2c(c1)F,0.38073144999730046
Nc1cccc2c1ccc1c2cccc1,0.9517711876331935
Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.6756783522381302
CCCCN(CCC)N=O,0.7811870997053494
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.10935937717155562
CC(c1cccc(c1O)C(C)(C)C)(C)C,0.007804575798203774
Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8412993886392202
COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.1456246539695377
[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8940980037484909
c1ccc2c(c1)[nH]nn2,0.6861145260642326
O=NN1CCCN(CC1)N=O,0.6893626275574611
OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.2994266033199017
[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.704468874414801
[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.10429943929395004
COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.36263117077347234
ON(c1ccc(cc1)Br)C(=O)C,0.3791425196275955
Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.40385144014717056
O/N=C/c1ccccn1,0.26925737372907615
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.045970589479962916
OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.03903878205751463
c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8973757502251981
CC(OC(Cl)(C)C)(Cl)C,0.017068464976135782
c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9566435943802769
CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.735221131229844
COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.581050427806624
C=CC(=O)N1CCN(CC1)c1ccccc1,0.5070348661243969
O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5706140913024242
OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.14149045939319896
OC(c1c(C)cccc1[N+](=O)[O-])O,0.7607022493875425
OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.05088944290421479
Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8291902537655894
O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.03135903964370282
O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.7632309008220988
O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.0781531992197285
Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.29003246686960854
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.09372083573561658
CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7541108215317127
NCCc1c[nH]c2c1cccc2,0.7582703948781835
CCN/N=N/CC,0.9304298763164536
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.5228652671603261
Clc1cc(Cl)c(cc1O)Cl,0.1259840647736404
CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.7322420695657814
O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.1046182846311568
Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.2999022025424293
CCNc1snc2c1cccc2,0.7539917686907073
CCCCCCCCCCC,0.08947846726314766
Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.8583031116744583
CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7131349684755441
Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.42982692635719055
O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.7950472445630564
CCOC[C@H]1CO1,0.8944004765433671
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.5643507366229794
CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.4992637140168504
CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.3362899736486418
CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.8192755250949306
O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.20273747254473157
COCCOC(=O)C=C,0.4054232164509968
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.052937670739416263
Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.6475478483552042
Ic1cccc(c1)[N+](=O)[O-],0.48995201064297694
COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.2760734268657464
CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.007777256856243841
CC(=O)NN,0.6632590388734594
CC(=O)C(=O)C,0.21558775364466606
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6642734615178533
O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9512686782554861
Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.6324746050204735
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.880905014939403
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.767655415027316
[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.381614917873478
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.11879137675872221
COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.2049291830661267
N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9886809371223619
NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.5266705121625811
Oc1ccc(cc1)C(c1ccccc1)(C)C,0.15584166416896264
ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.7694882193525391
CN=[N+](C)[O-],0.2776996650472964
CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.5917833694061542
COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.11720341884474153
[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.8373170612677131
CCCCCCCCCC(=O)O,0.039007175320737206
CC/C=C/CC/C=C/C=O,0.3609273353712892
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.3071939557394952
Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.08674883153074563
N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6257808183519408
BrCc1c2ccccc2c(c2c1cccc2)C,0.8798614275057871
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.3505892739987
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.4711109627056073
COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.786098519811278
OCc1ccco1,0.25967132830315204
ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.5544110285805831
OC(=O)C(=O)O,0.08858816308466563
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.8246111224155814
CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.15893540046393614
C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.06368399979544616
[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.8835717388431116
CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.9468124203317932
NC(=O)CBr,0.928171108591033
CCCCCC,0.040341751825976664
NCCCCC(C(=O)O)N,0.20848589534154513
Cc1cc(C)c(c(c1)C)C,0.07038326423689585
Oc1ccc(c(c1)C)C,0.11900375699606296
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.8902818408747664
[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9757471302489412
Cc1ccc(cc1)Cl,0.21203988161946333
COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.2712079926941245
O=C1C=CC(=O)N1,0.1055629413813239
O=C1C(=O)c2ccccc2-c2c1cccc2,0.636427541391013
OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.4103435919628567
CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.060721680728339646
CC(C(=O)NCc1ccccc1)Br,0.6486108317951912
CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.6414744397187158
ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9833154551490152
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3007048541168886
N[C@H](C(=O)NCC(=O)O)CS,0.5696109495229182
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.41937897923958817
C[C@H](C(=O)NCC(=O)O)S,0.46440487672209985
NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9254527196606288
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.6463764309482243
ClCC(=O)Nc1snc2c1cccc2,0.7565118577304774
CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9948679228065831
CC(C(O)C)O,0.06208140414828725
OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.21611174769751
O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.5375901458814125
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.025859599457178733
ClCCNc1ccc(cc1)C,0.851513889148673
CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.02051718156470489
O=C1C=CC(=O)c2c1c(O)ccc2O,0.6092654896084981
CNP(=O)(N(C)C)N(C)C,0.03151054328179362
CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.08233083989485245
COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.16422706619318653
CC[C@@H](CN)O,0.07590490988213179
Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.7579903967653919
OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.10798776638099568
CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.22972479505513943
Brc1ccccc1,0.13689914394871455
O(Cc1ccccc1)Cc1ccccc1,0.2069972826816564
Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.5324587830453567
OCC#CCO,0.040107624947317864
[O-][N+](=O)c1cccc2c1n[nH]c2,0.8844096992133555
O=C=Nc1cccc(c1C)N=C=O,0.6381129085677316
N#[N+]c1ccc(cc1)[N+](=O)[O-],0.9056936751230666
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.38179157306800676
[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9756713065536269
OC(=O)CS,0.21793631585983797
Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.44157313940335874
c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.8803397711175392
C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.45475140297069044
CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.007603142047933511
Cc1cc2n(C)c(nc2c2c1nccn2)N,0.91402999745849
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.08626222088976125
CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8584742729193862
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.2635588977400911
Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8090931341981273
Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9316459538144736
Nc1nc2c(n1C)cc1c(n2)nccc1,0.9040836962307697
C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.08180831839517243
C=CCOC(=O)COCCC(C)C,0.27049960914737686
CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.7921918428708429
CSC(/C=N\O)(C)C,0.45231969149883566
ClC/C=C/Cl,0.894057458043026
COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6271224404783508
COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.8834346007652555
SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.13248640722043906
FC(C(C(F)(F)F)F)F,0.11786120749708395
CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7765796179446693
O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.6408512172697768
Clc1ccc(c(c1)O)Cl,0.12515594240545241
CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.2609481106692406
CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8785929538120965
CCCCN(CCC(=O)C)N=O,0.8615206399669845
OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.03988784673220959
O=C1C=CC(=O)C=C1c1ccccc1,0.48192455534467
Clc1ccc(cc1N)C(F)(F)F,0.5110536230653923
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9146187023231367
CCOP(=O)(N(C)C)C#N,0.1473174732602954
O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9825306203470193
OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.1554685938545707
COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.6305378622223834
[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.5349601724835134
Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9384836591957377
O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.050866618232930406
O=NN1CSCC1C(=O)O,0.8222554756237095
COP(=O)(OC)OC,0.38996798853026765
Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9661376936240083
CC(CO)Cl,0.5428493472030815
C[n+]1c2ccccc2cc2c1cccc2,0.8097322316557428
CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8681590262611786
O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.910366831026879
Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.6888965100184365
ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.85440380582179
OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.36578447847758616
CC(N=C=NC(C)C)C,0.05330370272655364
COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.7659110353019686
c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9234666523244879
N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9283437295529701
[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.972510158675958
CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.43614993759538495
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.5935370566224216
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.04347178912671633
Clc1cncc(c1)Cl,0.1344514140132995
ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.9663350775244332
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.47004935822718036
c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8700312774770524
CCCCCCCC(=O)Cl,0.09370521302967283
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.032523330850593044
Cc1nc(N)nc(n1)N,0.40988063526882784
CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.7444249267756223
OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.6105388023514006
NC(=O)OC1CO1,0.9371350118058291
Cc1ccc(c(c1)C)C,0.07686812489924828
Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.7212194061467988
[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9934659357359387
c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8514710352871286
O=C1C=CC(=O)C=C1,0.26386729730885583
Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9049834205145096
Cc1ccc(cc1)[C@H]1OC1,0.6214599078042504
ClC(=C1C=CC(=O)O1)Cl,0.7160395410332153
c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9370804709997831
Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.09227807499940055
COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.4609817329728289
CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7301354481817409
CC(=O)c1ccccn1,0.2578663974361089
S=C(NC1CCCCC1)NC1CCCCC1,0.11472388950496178
ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.2640245959469471
NNCCO,0.7574127663945018
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9465490098606758
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.8940657146451794
CCCN(C(=O)SCc1ccccc1)CCC,0.32498510218498355
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.20467091629404713
Cc1cnc2c(n1)cccc2,0.3346492492719127
CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.18395729698004074
N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.06903707184412423
NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.5213325272691396
Nc1sc2c(n1)C1CCCNC1CC2,0.5128557338228606
ONc1ccc2-c3c(Cc2c1)cccc3,0.9247625985875085
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9875105373952479
ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.0824062387128245
Nc1ccc(c(c1)N)Cl,0.6987814021457862
CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.011199682003449384
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.8308107773198509
N#CC1=C(SCCS1)C#N,0.09556831125417618
C[C@H](CCC(=O)c1cocc1)O,0.1487230945051282
N#Cc1cc(ccc1N)[N+](=O)[O-],0.8195836048891493
CC(C(=O)NCc1ccc(cc1)Cl)Br,0.5311222841940473
CC[C@H]([C@@H](CO)C)C,0.08233458849529243
Fc1cc2cccnc2c2c1cccc2,0.7553172894669402
Oc1ccc(cc1)c1ccc(cc1)O,0.3666252242671906
FC(COc1nc(N)nc(n1)N)(F)F,0.1930137656556004
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.9652788103616267
O1Cc2c(C1)cccc2,0.12902044800038714
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.3212203810779333
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.3744794625443425
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.057768380057862945
CCON(C(=O)c1ccccc1)OC(=O)C,0.6348636218681917
CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.11548128972836166
c1coc(c1)c1nc2c([nH]1)cccc2,0.4617154847099986
Nc1ccccc1C(F)(F)F,0.35122113894924517
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.23950943004088482
OC(=O)c1occc(=O)c1O,0.22812405141591466
O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.3752307679005369
Cc1cc(N)c(cc1C)C,0.380392491831209
O=Nc1cccc(c1)C,0.8109130855040002
O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.7502418037422492
C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.7781905129790809
CC(=O)Nc1cnc2c(c1)cccc2,0.4091116681806041
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9894650181350805
[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9810410027003323
O=Nc1cc(ccc1C)[N+](=O)[O-],0.9356661170539142
c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9729411556723484
C1CN2CCN1CC2,0.6523550164048577
Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.09130507989621334
FC(C(Cl)(F)F)(Cl)F,0.02622821963125731
CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.15272541078398288
Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2971052982158616
CNc1ccc2c(c1C)nc(cn2)C,0.6053245048254419
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.5861071714764673
CCCCCCCCCCCCCCCCCCCC,0.06711365876007563
CC1c2ccccc2-c2c1cccc2,0.43193334819026
CCCOc1ccc(cc1N)N,0.7398583598724837
OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6101914063878023
N#N=NCC(C(C(C(C=O)O)O)O)O,0.8966867525592609
COc1cc(ccc1O)C[C@H]1CO1,0.7901429666969833
N1CCc2c(C1)cccc2,0.2681754882769752
[O-][n+]1ccc(cc1)[N+](=O)[O-],0.4931504027023133
CNCCO,0.0822968504822262
OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.14421080082393356
Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.973504409214671
Clc1ccc(c(c1)N)Cl,0.5455275098547467
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.17166141081043457
BrCc1cccc(c1)[N+](=O)[O-],0.910657256839816
CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.3052296102943318
OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.29966599056336957
Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.028727841740686544
OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.16716007912810926
COc1cc(CNC(=O)C(Br)C)ccc1OC,0.7157956527646981
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.6516295980384661
ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.6279042066318511
CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.493831006897959
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.19474595222867647
[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9432913176003469
Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.06448785389041545
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.08588092652721088
O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.657667850852997
ClC[Si](C=C)(C)C,0.1538218252544884
OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.2603226205992283
CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.23604989658063924
OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.5400780989288873
CCNN=NCC,0.8730509711809613
O=C1N(C)CCCN1C,0.3805177974502723
Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.24428953501579087
COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.8454259127438325
Oc1cccc2c1C(=O)c1ccccc1C2=O,0.7362733426605267
CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.16547489573733445
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.43658672376035695
[O-][N+](=O)NC,0.86119928774082
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.09676985626108268
O=NN1CCO[C@H](C1)O,0.9315951123822183
CCCCCCCCCCCCS,0.09397649464027626
ONc1ccc(cc1)N=Nc1ccccc1,0.8868051993215134
ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7495534206006876
CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.15511257143765989
c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.8870124344190606
ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.6784119488066465
Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.1857079713652012
CCN,0.1137967930039977
CCC(=O)OCc1ccccc1[N+](=O)[O-],0.6722321416262812
OCCNC(=O)N(CCCl)N=O,0.974670042053285
CCOP(=S)(SCSC(C)(C)C)OCC,0.18753250034871904
c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.8962791677993608
Cc1ccc(c2c1n(C)c1c2cccc1)C,0.8783527883242144
Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.42009555968136103
COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.21290900022701212
CC(=O)OCc1c2ccccc2cc2c1cccc2,0.8325731793466002
CCCc1cc(O)nc(n1)S,0.039136924824345665
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.9435876958896071
O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.6987677974593022
N#Cc1cccc(c1)C,0.25642185690397584
Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9095720570709368
FC(C(F)(F)F)C(F)(F)F,0.06181694182244991
CC(=O)N,0.2748704744254826
CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.1627206803551213
[O-][N+](=O)c1c(C)cccc1C,0.5744931325451501
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.11920536465878807
OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.7480279245913544
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.17742638313386802
CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.28432480749409483
OCCCNC(=O)C(C(CO)(C)C)O,0.325029788894032
Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.7849718616896617
OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.26453177149422824
[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.9211701543597103
Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8187168854215527
NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.6120012556711468
Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.7233393112872047
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.6839297647329098
OCCI,0.9589407735539531
Nc1ccc2c(c1)c(Cl)ns2,0.6466763409979055
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8555983639070397
Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.3179264144223055
CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.5848605031097782
c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.9455971961187726
Nc1ccc(c(c1)N)O,0.59028892286207
C/C(=N\O)/C(=O)C,0.4456440275673751
O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.6618361542591586
OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.15336107366832835
ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.7235255346572718
OC(C(=O)O)Cn1cncn1,0.08248711368172652
CCOC(=O)N,0.3704713689565258
NCCCCCCN,0.6483049561246714
CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.41901040690950436
C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.19358319782684127
O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.020689995126143935
O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.048068778704776494
O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.1382196945634008
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.2959811715327076
OCc1ccccc1,0.19663037410633138
CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.228751121430294
Clc1ccc2c(c1)cc1c(c2)cccc1,0.683907665425268
Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8265285397634874
CCCCCCCCCCCCCCCCN,0.11658548385228991
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.07322948226301643
CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.8890794678682398
CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8561324608559178
O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.12685530539444814
O=C(c1ccccc1)c1ccccc1,0.2887593366894156
Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.09227807499940055
NS(=O)(=O)c1ncn[nH]1,0.3151177977557747
OCCP(=O)(O)O,0.06317725300632135
C[N+]1(C)CCOCC1.Cl,0.0639071763279041
CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.0940848608982365
c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.7423247947354064
[O-][N+](=O)NC(=N)NC,0.47354661317298974
c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.7283211343705414
O=Nc1ccc2c(c1)cccc2,0.9610993165995385
ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9550028736707554
Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.20676199721476235
O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.8028929735128383
ClC[C@@H](CBr)Br,0.8441144071619534
O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.07788004538467783
ONc1cccc(c1)c1ccccc1,0.8569766054656133
COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.5867528886878255
Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.8696410816192919
Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7284449901721286
C1CCC2(CC1)CO2,0.2881079730223305
c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.7356575314749603
BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9656599992568998
C=CC(=C)C,0.1731647740022081
Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9509410529432643
Cn1c(N)nc2c1c1cccnc1cc2,0.9100545640997393
O=C1NC(=O)C(=C(Cl)Cl)C1,0.6928282281066074
Fc1ccccn1,0.15028009060331315
C=CN1CCCC1=O,0.4667571745983356
ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9686685836878309
ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.9861364674862828
CC(CCON=O)C,0.7767435660561332
OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.06436718962923327
OC(=O)c1sccc1S(=O)(=O)N,0.366834682231083
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7862709242938589
O=C1C=C(O)c2c(C1=O)cccc2,0.49526588482523276
NNc1ccccc1,0.8804865771051648
[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.9663788772689692
OC(=O)Cc1ccc(cc1)NC(=O)C,0.09486292718982867
CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.36060565741198775
Clc1cccc2c1cccc2,0.3861099615555801
COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.6160160363968139
O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.7864810263485373
C=CC(=O)NCCCN(C)C,0.22023411649685387
O=Cc1ccccc1C,0.29404224350746827
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.18846513375487173
CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.6201543682819427
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9752635470532706
COc1cc(OC)[nH]c(=O)n1,0.24083032161441553
[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7547068884251779
COc1cccc(c1)[N+](=O)[O-],0.703480283449474
CCCCc1c(=O)nc([nH]c1C)NCC,0.10277707616831316
ONc1[nH]cnc2-c1ncn2,0.25313522806865824
Oc1ccc(cc1)c1ccccc1,0.33573693249848185
C/C=C/c1ccc(cc1OC)OC,0.6776663631726382
O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.28119525997312783
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.47237881344071503
O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.9587194234904294
[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.8546997231713886
CSCCl,0.898751331030653
BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9206289743469286
Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.5646133296124718
COC(=O)C1=CCCN(C1)C,0.17230569381498198
COC(=O)C(=C)C#N,0.24783579930657662
c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.784684218286111
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.025232835938089053
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9742177410635194
NC(C(S)(C)C)C(=O)O,0.08796444420250596
CC(N)(C)C,0.0461462879323313
Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8534529676117403
CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.7771860949424043
O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.6647481930827104
O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.196312579790804
OCCNC(=O)C(O)C,0.45795068790293414
OCc1ccc(cc1)OC,0.19311850704264644
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.08538789864196218
CC1(OC1)c1ccc(cc1)Br,0.5640621099917901
OCCN(CC)CC,0.07545067753053364
O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.37485777800506104
[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9653946762585816
Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.6271419089120858
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.032051159489143936
CNc1ncnc(c1)Oc1ccc(cc1)N,0.5044010049786684
Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.9630540261479775
CCCC/C=C/C=O,0.4732213085752226
CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.22400433663422128
O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.7328107379174786
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.976483965922011
COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.24543013596979352
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.05370036802739482
Cc1ccc(c(c1)C)N,0.5533264033802124
OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.12619865085378634
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6189284413672405
C1O[C@H]1C=O,0.931509214154459
C[N+](CC1OC1)(C)C,0.6358728333637905
NC(=O)c1c(Cl)ccc(c1Cl)O,0.20509031044103654
OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.5266071365139198
CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.4859592606858331
O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.12301980365422982
CCOc1ccc(cc1)N=O,0.8152875447717234
CC(=O)C=C,0.2562581906135979
N#CC(/N=N/C(C#N)(C)C)(C)C,0.3455651559602293
C1C2SCC=CN2C1=O,0.46889363975705317
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.8640213607247687
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.2650598299411813
Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.5322145264141617
ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.8737948561581762
OC[C@H](O)C,0.11248981099159075
O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.710313330274814
Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.45696161192931095
N#CC(=C(C#N)C#N)C#N,0.3070224694679518
BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.4108643458438563
OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.3880988362791073
NCCNCCNCCNCCNCCN,0.8095778787214248
OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.7097495534503516
OC(=O)C=C,0.15320709924340548
Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.9579122876220885
CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.9110089753785681
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.964472665950393
[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9756143883114805
N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.6099999594462259
O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.2701741229164244
O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.587339923306914
CCCCOCCOCCO,0.22398333283976796
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.35209308253627514
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.10095658720745009
CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.2910572507349329
OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.19684778522048396
C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.11624580045533194
[O-][N+](=O)c1cccc2c1snc2,0.8999512037845834
COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.8710360888993494
C1CCCN1,0.11240558112763493
CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.9814495153130056
Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.841171444558588
CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.8511202203951195
Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.4546565481367529
COc1cc(O)nc(n1)NC(=O)N,0.19362361449276108
OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.9202749692043329
[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8021419035715642
Fc1cc(F)c2c(c1)nccc2,0.4654959291886445
CCCCN(CC)CC,0.07787391244970866
COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.5450875590100843
COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9418942912728947
OC(=O)C(Cl)(Cl)Cl.[Na+],0.5968369741962034
ONc1ccc(cc1)Sc1ccccc1,0.5558020067027905
OC[C@H]1CO1,0.5878221788864999
CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7589550273527922
ClC(C(C(F)(F)F)(F)F)Cl,0.2804206706860734
O=NN(CC(=O)C)C,0.9238736024512019
N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5706898494958332
N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.5182951748839134
S=C=NCCc1ccccc1,0.24801582102079175
OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.9403864399482312
CCOc1nc(N)nc(n1)N,0.21206642585475513
[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.95424961664962
Cc1nccnc1C,0.07578323677536791
CS(=O)(=O)C,0.12733213018231673
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.08349280308211232
[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.2260567111709375
CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8570151424602599
Nc1ccc2c(c1)cccn2,0.7710389460927131
CC1OC(C)OC(OC(O1)C)C,0.04137406846760869
COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.01629153326211546
Nn1c2ccncc2c2c1cccc2,0.9403277232705821
[O-][N+](=O)c1cccc(c1Cl)Cl,0.4350990183090542
COC(CC(=O)C)(C)C,0.16326084816928602
O=C1c2cc(ccc2OC21CC2)C(=O)C,0.7497359707151633
CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.47567752984751704
OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.8865606558869921
Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.25326944797911005
N#C/C(=C(/C#N)\N)/N,0.6928483816182851
COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.9198205891597712
OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.15708036994844948
ONc1ccc(cc1)Cl,0.5761726875356918
CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.3559015730483013
O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.04127170084914639
Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.74878401343449
ONC(=O)c1ccc2c(c1)cccc2,0.7799667800355067
O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.1259716035439036
NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.5792902140562308
O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8615385657981639
CCCCCCCCC(=O)OCC=C,0.08597766589729597
Fc1ccc(c2c1ccc1c2cccn1)F,0.7192375316124698
O1C[C@@H]1[C@@H]1OC1,0.9661389219643542
OC(=O)C1CC(N(C1(C)C)O)(C)C,0.19884068643393482
O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7232686906152217
NN(c1ccccc1)c1ccccc1,0.7823900302091337
[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.8066471308276496
Cc1cc(C)c(c(c1)C)N,0.4739372485933157
CC(=C)C(=O)OCCO,0.39999096980848575
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.017369960263492395
COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.6476003906548866
CCCCCCCCCCCCCCCCCC(=O)O,0.016630217084945324
CCCC(=O)OC1CCCCC1,0.09404826567304606
Nc1ccc(cc1)Cc1ccc(cc1)N,0.42009555968136103
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8960669026139542
COc1cc(N)ccc1N,0.823941144848991
OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.19805935709865788
Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7625602841181607
N#Cc1ccc(cc1)C(=O)O,0.09277739874299482
CC1=CC[C@H](CC1)C(=C)C,0.01758677171018654
COC(=O)CCl,0.7778794387815394
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.13332802066100388
COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.45067622448843475
COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.4850238754713307
O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.06995854896703352
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9819995991844837
CC(=O)c1ccc(s1)[N+](=O)[O-],0.9467193757657554
ClCc1ccc(cc1)OC(=O)C,0.2737474465114179
ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.3992762121138801
CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.24091918199295825
Nc1ccccc1c1ccccc1.Cl,0.6933861795753268
CC(C(=O)NCc1ccccc1)Cl,0.6014804956209062
ClCC(F)(F)F,0.0932683093590609
CCCCCC[N+](=O)[O-],0.30079805976800306
CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.8266677984770627
COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5969672107439816
OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.8540274439855912
O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.20000141054069903
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.8548319760249374
Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8586907516498601
CC(C(=O)O)N,0.16429668023271807
NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.2702906858863587
OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.2441473656818958
BrCC=C,0.7070567837612173
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.6151234875714812
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.12192630774749007
Nc1ccc2c(c1)c1ccccc1[nH]2,0.9591279073399603
[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.963910151020445
Oc1cnc2c(c1)cccc2,0.2872824729853703
CCCCOS(=O)(=O)C,0.23082227302503222
Sc1ncnc2c1[nH]cn2.O,0.35806610185839005
CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.25050518321345977
C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.4858935082294586
O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.062455064820234184
CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.5516961713107471
ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.9438544641663635
COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.7144266800724748
C=C[C@H]1CCC=CC1,0.055503399970501265
O=Cc1ccc(cc1)[N+](=O)[O-],0.9046341686062529
COC(=O)CCCC(=O)OC,0.26386809639033165
CCc1ccc(nc1)C,0.09232356161324771
Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.74784889892238
CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.48045311744109026
CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.04345246256491863
O/N=C/C1N(CCN(C)C)C=CN1C,0.8884970029405223
CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.17081540869336842
C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.8860318581791984
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.3725330017987133
CCCOC(=O)c1cc(O)c(c(c1)O)O,0.23762015618697394
Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.5583769441238875
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.8844676856348631
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.11277870528129601
Sc1ccc(cc1)[N+](=O)[O-],0.5933750152033687
N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.49690557844745675
CC(=C)C,0.04374833395624934
CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6957415802400623
Nc1ccc(cc1Cl)C(F)(F)F,0.42959992703821176
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.020353369541195702
S(Cc1ccccc1)SCc1ccccc1,0.1689045617252714
OCC(COP(=O)(O)O)O,0.2578830582223943
Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.0923022946515222
CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.557138923035298
O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.07726716975301734
COCN(c1c(CC)cccc1CC)C(=O)CO,0.2654090557281366
Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.7743319298226479
O=C(C1(C)OC1)Nc1ccccc1,0.7733543892605289
Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7645654534285643
c1ccc2-c3c(Cc2c1)cccc3,0.3990533663464463
C[C@]1(OC1)c1ccccc1,0.5349175222967852
OC(=O)C[C@H](C(=O)O)O,0.07077059427124707
O=C([C@]1(C)OC1)NCc1ccccc1,0.6462308979564247
CCCCOC(=O)c1cccc2c1nccc2,0.17351748947183498
COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9761199636106996
O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.929101169271247
O=NN(c1ccccc1)c1ccccc1,0.7331440924866003
CN(Cc1ccccc1)C,0.14662185870131603
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9810757963690864
O=NN1CCOC(C1)O,0.9315951123822183
C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.19009301869997566
CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.05417454958758593
CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.031943744934961237
O=Cc1ccc(cc1)C,0.33821446872543165
OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.1887147325046785
CCCCN(/C(=N/O)/C=O)N=O,0.8709287723860913
O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.890928353304367
ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.5974417458906385
COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.6965184531429788
NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.5629463380423768
ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.2293108786436492
CCSCCSP(=S)(OC)OC,0.40171358021155296
C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.07311355076274861
C1CCCCC1,0.04980468778787671
O=Cc1ccc2c(c1)OCO2,0.5659041311730435
BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.8627017132849549
O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.0636190941569825
COc1nsc2c1cccc2N,0.8555229657196864
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.12331369917477296
Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8981062352791346
N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9929251078527903
OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.43624091511433083
CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.06879058043548086
NC(=O)c1ccccc1C,0.3322264552501502
OCC(=O)Nc1c(CC)cccc1CC,0.22698745510559679
COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9094638424098896
C=CC(=O)c1ccc2c(c1)OCO2,0.5283037186170562
Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.36518698997500776
CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.8008782240789903
Fc1ccc2c(n1)cccc2,0.4248094609674102
CC/C=C\C#N,0.4347667750876977
CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.1326566587715018
O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.293822487184121
CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.4249807843614851
CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.677001949695155
Clc1cc(Cl)nc(n1)Cl,0.07758518054442211
ClC1CCN(CC1)N=O,0.9708754738124616
CCCOO,0.43445901112192853
OCC(C(c1ccccc1)N=N#N)O,0.7715457506628437
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.7526230955812921
CCc1ccccc1O,0.10247936772030798
COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.03743676273219627
O=NN1CCCCCC1,0.426674466455585
CCOC(=O)OCC,0.1672907746562386
SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.25412354242648616
OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9659279459694358
Nc1ccc(cc1)CCc1ccccc1,0.5403578843052875
Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.7303390045884426
Cl/C=C(\C(Cl)Cl)/Cl,0.8252209425328504
COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.10785235465968962
CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.11797828178178471
c1ccc(cc1)c1nc2c(o1)cccc2,0.20863732415022754
CCCBr,0.5727190064170674
CCCCNCCCC,0.10707100879130493
COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6200539138218738
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.020725799728198935
BrCC(C)(C)C,0.2439798803191106
ONc1ccccc1C,0.6287838830502539
COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.1591463704687445
OCc1ccc(o1)C=O,0.33564928043551484
CNC(=S)N(C)C,0.43181187135567395
[O-][N+](=O)c1cccc2c1c(C)ccc2,0.9125658366895643
NC(=S)NCC=C,0.8252524651031378
Cn1c(N)nc2c1cc1cnccc1n2,0.8963769226393493
CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.02623259434216301
N#CC(c1cccc(c1)Oc1ccccc1)O,0.23611884466509855
CC(Cc1ccccc1)N,0.18703321125787684
[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.3760475818239613
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.9208896191239279
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9733145565874844
CCC(=O)C,0.16465411244692707
ClCc1ccc(cc1)C#N,0.8455877387211128
Clc1cccc(c1)C(=O)O,0.1230784064728728
CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.3869126529097476
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.6661577927066228
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.5406107773896114
CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.31497130037707644
COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6982934077186091
O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.19990535223961425
CC(=O)N(c1snc2c1cccc2)C,0.6064964549317856
Clc1c2ccccc2cc2c1cccc2,0.5768746285835636
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.009757979283366367
O[C@@H](c1ccccc1)[C@H](N)C,0.13884365123098003
O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.9035918689431186
OC1CC[N+](CC1)(C)C.[Cl-],0.02378812121012044
Cc1cc(nc(n1)O)C1CC1,0.14329844061094346
Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.6291807250104464
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.8838766604744265
[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.5386392857809571
COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.43622147483219176
Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.48884293392214
CNC1Cc2cccc3c2c(C1)ccc3,0.2463087814850515
COCCOC(=O)c1ccccc1C(=O)OCCOC,0.2809807633406938
OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.7998059861439692
COc1ccc(cc1N)NOS(=O)(=O)O,0.5718869652860942
CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.8008782240789903
Oc1ccc(nn1)O,0.1801129164756307
Nc1ccc(c(c1)C)N,0.7110606641318985
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.16361557104032165
[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8372710735242407
CCCCCC(=O)OCC=C,0.090265087443129
Clc1ccc(cc1)C(Cl)(Cl)Cl,0.14480061884228587
OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.587339923306914
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.49686880811053274
[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9800291804347753
CC(C(CBr)Br)Cl,0.7920110518327542
Brc1cc2cccnc2c(c1)C(=O)O,0.20983862126737643
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.8020116909443048
CCS(=O)CCSP(=O)(OC)OC,0.6157294537881932
ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9972745336675899
CN(N=O)C[C@@H](CO)O,0.9112177333190681
ON1CN(Cl)CN(C1)Cl.[K+],0.39216300923441755
CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.05778903689788718
C=CC(=O)OCCOCCOC(=O)C=C,0.5944645477540699
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9781858780968472
O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9681212965116548
[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9802773484654657
Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.23372160439018036
c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.8206642379757038
CCc1ccnc2c1cccc2,0.3180307919984314
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.06536495790808741
OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.11013845506005658
Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.16275771444258716
OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.09305350931868404
COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.5049912291456231
CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.4528015792851853
CC(=O)/C=C/c1ccccc1,0.27318402940950554
Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.8663339768973861
ClCc1ccc(cc1)[N+](=O)[O-],0.9295975782460516
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.6271769099656629
C[C@H](CN(C[C@H](O)C)N=O)O,0.7161315663803728
CCCCCON=O,0.8555510699535077
NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.8206851888132587
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8340816266143292
Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7780147367940089
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.049483220118250876
Cc1ccc(c(c1)N)O,0.44519358373785556
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.5134017742851544
COC(=O)c1ccccc1CS(=O)(=O)N,0.14793515282286382
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8671528025244781
Oc1ccc2c(c1)cccn2,0.39797795271238817
Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.33080400653664954
CNN=NC,0.913489345453152
CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8097969237733167
CCCC[C@H](COC(=O)C=C)CC,0.07095657195805347
Cc1cccc2c1cccc2,0.5760624838058115
Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.8981225150226761
CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.637423549609678
[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.9465466120717402
[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.19430105900730452
c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9327559484985629
Clc1ccncc1,0.1014775678368147
CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.025188272652472702
C1CCC(CC1)NSc1nc2c(s1)cccc2,0.36759568952221866
CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.7079639326118811
[O-][N+](=O)OOC(=O)C,0.9323084527545435
[O-][N+](=O)c1ccccc1[O-].[Na+],0.46330131826522253
Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.5550442114311347
Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.6645686090491685
O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8568242564042492
O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.4752148619853159
CSC(/C=N/O)(C)C,0.3669370266448254
CNc1ccc2c(c1N)nc(cn2)C,0.863372238287081
CCOC(=O)NNc1nncc2c1cccc2,0.267754785270181
O=c1c2ccccc2[nH]c2c1cccc2,0.6235588416993081
BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.7260584638670549
O=Nc1c(CC)cccc1CC,0.29421465235428423
COC(C(Cl)Cl)(F)F,0.6277900315632583
Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.853494235180838
C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.8329447916068325
Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.28882280476013095
Br[C@@H](C=O)CBr,0.9699103883731618
CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.065872688448306
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.7663117444088056
CSCNc1ccccc1OC,0.3785288182920082
Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.9319663412664442
CC(N)C,0.0984776726705
Cc1cnc(c(n1)C)C,0.04582572792488951
CCCCCCN(C(=O)N)N=O,0.8122073782444467
COc1cc(N)c(cc1N)C,0.573561035381907
CCCN(C(=O)SCC)CCC,0.48188871983980386
COc1cc(/C=C/C(=O)O)ccc1O,0.21446282635017594
CS(=O)C,0.1657603419771334
CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.030014592190885345
OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.11637811297967832
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.1383797018666878
[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8680255300197623
C1CCCCC[C@H]2[C@H](CCCC1)O2,0.34778548030926815
Cc1cc(C)c(cc1C)C,0.037540318110303714
SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.06936807735864145
C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.2301940232503501
Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.70860003044336
CCOC(=O)OC(=O)OCC,0.2311446107369137
C/C=C/Cl,0.6674089283937629
CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.11091724408293901
CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.47218565787417494
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.013150023672418751
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.946629953814084
OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.11916971687904139
ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.8592099209461622
CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.1645997288771192
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.04123278740265904
Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.4712074463852207
NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.679970478554236
NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.27834768486643824
OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.36599631977490865
CN(C1CCCCC1)C,0.119361536883835
Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.21247310938857394
[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.045116776669135064
COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.7854907330236292
O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.950992558402975
[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9819587574762609
Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.12029968697873625
[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.924631363384386
Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9363535836619763
C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.5308294229507198
Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.16112848101560975
O=Nc1ccc2-c3c(Cc2c1)cccc3,0.945897201046327
Clc1ccc(cc1)CC1OC1,0.6920124716418716
Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11577404571608374
Cn1c(N)nc2c1cc1ccccc1c2,0.951983670985381
Nc1ccc(cc1)c1ccc(cc1)N,0.7687598838856391
CC/C=C/C=C/C=C/C=C/C=C/OC,0.7698795680322995
ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.4284901704697324
Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.010894738324235424
[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7518706419959823
O=C1CCC(=O)N1c1ccc(cc1)Cl,0.09933299062568168
Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.6077453333904766
COP(=S)(Oc1ccc(c(c1)C)N)OC,0.4381480032569983
CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.40327024010929396
[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.37827732475073456
CCCC(=O)O,0.04617421572154703
CCOC(=O)CNC(=O)C=[N+]=[N-],0.8841391444073395
O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.0816052027728815
Nc1nc2c([nH]1)cccc2,0.4953781132636023
c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.9006963440720035
OC(=O)C(Cl)(Cl)C,0.19140424749053347
Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9518038227888148
N#C[Se]Cc1ccccc1,0.2453170430905
C[N+]1(C)CCCCC1.[Cl-],0.005511436304882472
Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9114038770977525
CC(=O)C(=C)C,0.1997138479595222
OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.8174930147183811
c1ccc2c(n1)c1ncccc1cc2,0.7811352514656356
O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.1590481868627118
Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.679900900785576
O=CN(N=O)C,0.9336932982564823
NCCCCCCCCCCC(=O)O,0.08517696586795968
CCCCBr,0.5274869228959258
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6411368916415113
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.2959811715327076
Oc1ccc(cc1O)C(C)(C)C,0.14987687817244374
COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.42349700530778533
O=CNc1ccc2-c3c(Cc2c1)cccc3,0.8885949219449234
COc1cc(OC)nc(n1)N,0.07591669616702612
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.07322948226301643
OC(=O)c1cccc2c1nccc2,0.1300821727941698
[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.9154943733392958
OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.42349700530778533
CCOC(=O)c1ccccc1C(=O)OCC,0.13841912889499047
COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.3559581563592427
Nc1ccc(c2c1cccc2)N,0.9128156166706021
Fc1cnc2c(c1)ccc1c2cccc1,0.8061579465550665
CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.11091724408293901
Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.16112848101560975
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.0716945640994561
ClCc1ccc(cc1)Cl,0.5741737899458434
OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.5362010352610583
ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.7718520806717829
CC(=C)OC(=O)C,0.11818761989466375
Oc1ccc(cc1N)S(=O)(=O)O,0.3279029574533383
OC1CCN(CC1)N=O,0.850029790552855
CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.8376065945088811
NCCCN(C)C,0.1970801650486629
Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.8810765004657973
CCCCN(N=O)CCCC,0.5798732459774302
COc1ccc(cc1)Nc1ccc(cc1)OC,0.7425832113990658
O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.05268253794652739
N[C@@H]1C[C@H]1c1ccccc1,0.26967850538749916
C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.18162457773854107
OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.8954220832461264
CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.7478079570944123
OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.13555780874622186
Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.7589840459420867
c1ccc2c(c1)c(CCC1CO1)ccc2,0.9117605456823069
[N-]=[N+]=CC(=O)NCC(=O)N,0.9358500020417142
CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.21421905746780032
CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.22619621004821677
CC1(C)C2CCC3(C1C2)CO3,0.24392325831540226
COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.03460043152419068
N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.09128078653341601
CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.17114067988058265
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.23953534338648882
OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.6077201957788907
CCC(=O)N(c1ccc2c(c1)cccc2)O,0.7154101553936575
OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6786643964392066
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.8559877223416201
CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.8209647166052149
CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.32584393796216726
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.2791333545474594
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.39631428372388994
OC(=O)c1cnccc1C(F)(F)F,0.051613932500046124
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8479991074682895
OC(COc1cccc2c1cccc2)CNC(=O)C,0.4583865573247832
ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.492217864121315
Oc1ccc(c(c1)C)Cl,0.2129854564498162
ClCc1c2ccccc2c(c2c1cccc2)C,0.9116830541115644
NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.6462104540313837
C=C[C@H]1CO1,0.877754263416217
O=C=Nc1ccc(c(c1)N=C=O)C,0.872786207509081
COc1ccc(c(c1)O)C(=O)c1ccccc1,0.29052157438779
CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.22934528038820484
Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9227769609625843
Cc1cc2c(nc1N)[nH]c1c2cccc1,0.8691528319389449
CCCCOCC(=O)O,0.15015307218618607
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.1901034557274452
CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.619662628431618
ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9905629264808055
CCCCCCCCCCSCn1cc[n+](c1)C,0.23604989658063924
C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.18520072277896227
Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.7432392356230236
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.028829015659098404
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.08928799176374144
Nc1cc(nn1C)C1CC1,0.7541384937701632
OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.20817500631470953
O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.6855334521463629
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.05344667821860295
O=c1ccc2c(o1)c1ccoc1cc2,0.685219442838132
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.039001398680404774
CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.22548137002127042
O=C(c1ccccc1)Nc1snc2c1cccc2,0.1735475099581496
OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.17199873150123657
NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.3516741618093651
NC(=O)N(c1ccccc1)c1ccccc1,0.2982324724201471
N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.8815573828961506
c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8276308382195218
Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.16257770090871496
c1ccc2c(n1)cnnc2,0.7204394354061703
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.968914989177908
Nc1nc(nc(n1)O)NC(C)(C)C,0.12023259992490795
O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8770268983587992
O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.017961995175964255
Nc1ccc(cc1)F,0.33481626566199524
CN(C(=O)Nc1ccc(cc1)Cl)C,0.2932533016182644
BrCc1ccccc1,0.49370140454164224
Nc1cccc2c1nccc2,0.7301905403956589
O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5016724296015793
OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.377174320027525
Cn1cccc1,0.6398762288902846
CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.42329270384165796
Cl/C=C(/C(Cl)Cl)\Cl,0.8219374639050485
Fc1ccc2c(c1F)cccn2,0.36194793111329354
NC(C(=O)O)CCCCNCC(C(=O)O)N,0.24147369956829087
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.05299458461988126
C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.08440558930193642
O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.07054087502520558
CCCCOP(=O)(Oc1ccccc1)OCCCC,0.12050600596039204
CCCCN=NC(OO)(C)C,0.8000180840599592
CCOC(=O)N(C)C,0.6989620324407166
CC1=CCC(CC1)C(O)(C)C,0.026433352749216
CCOC(=O)[C@H](Br)C,0.588662883226188
Fc1ccc2c(c1F)nccc2,0.30262809351323144
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.013229945132171008
[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.6441068249292776
CCNc1nc(NC(C)C)nc(n1)O,0.0472112627913942
CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.023437226013058185
Cc1ccccc1N.Cl,0.603945109235932
NC(=O)CI,0.8929038453403012
Nc1ccc2c(c1C(C)(C)C)cccc2,0.48067631662136545
CCCCOCCO,0.12634339802927252
CCCCN(CCCO)N=O,0.7536825566922364
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.1026401483645937
ClC(c1ccccc1)C(=O)NCc1ccccc1,0.4695730900407713
Nc1sc2c(n1)cc(c(c2)C)C,0.6886389955856801
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.11676134707389851
Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7610040625117129
N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.588370897267121
O=NN(C(=O)Oc1cccc2c1cccc2)C,0.8447867402341399
CCO[P@@](=O)(N(C)C)C#N,0.13529010579621964
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.9618171809543646
Nc1cccc(c1)O,0.21942716167507736
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9633554234043236
CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.14000935113712712
CC(OP(=O)(F)C)C,0.05296367265127618
CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.06014151870932145
O=CN(c1ccccc1)O,0.8289410731096964
COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.4266275619371201
NC(C(=O)O)CSCCCl,0.774645704658854
Oc1ccc2c(c1)OCO2,0.20070909050087632
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.12364421847915393
Nc1ccc2c(c1)cc1c(n2)cccc1,0.9089664859066775
CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.09461949698367363
OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.11064118492545126
C[C@@H]1CC[C@H](CC1)C(C)C,0.020814834877773428
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.13730766132571748
ClC[C@H]1CO1,0.9806720971810954
C1CCc2c(C1)cccc2,0.13292014348249312
Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.8785763609234006
Oc1ccc2c(n1)cccc2,0.1979766665654059
CCc1ccccc1,0.12418666915873985
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.15822380305133266
OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.24818102900598535
Fc1cnc2c(c1)c1ncccc1cc2,0.6310049774251812
Cc1cc(C)c2c(c1N)nsn2,0.8707804653288277
OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.2840962169152785
c1cc2cccc3c2c(c1)CC3,0.22296379664893837
Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.07767038111682388
CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.030225130314969737
COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.7130770116304085
OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.24770533709833686
OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.10580603507876978
ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.7898647108170864
OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.73084289331962
Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.49137404240187194
ClC([C@H]1OC1)(Cl)Cl,0.9091063552781012
ONc1cc(ccc1C)[N+](=O)[O-],0.9291316460299607
CC(=C)C1CCC2(C(C1)O2)C,0.07776559705388762
OCCN=N#N,0.926166367807236
CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.9104162760363446
COC(=O)CC(=O)C,0.13477219493177142
OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.6721410984493084
NNS(=O)(=O)c1ccc(cc1)C,0.7163576460365254
c1cc2ccc3c4c2c(c1)cnc4ccc3,0.9171823255501989
N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.928594068495991
CCOC(=O)C=C,0.2846804445366011
OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.506755435830931
Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8788161302820511
O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.07094877969468615
[O-][n+]1ncc2c(c1)cccc2,0.26005186197842084
[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.8569312583962011
ClCC(CBr)(Br)C,0.6942161103529492
CCCCCNc1snc2c1cccc2,0.4744442750454048
C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.25475881703054243
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.8512132248435338
CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.8060561779701029
CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8369520030538762
CC/C=C/C=C/C=C/C=C/C=O,0.6530648677254617
Clc1cccc2c1nccc2,0.31633419118272266
CCCCCCCCCc1ccc(cc1)O,0.04577353041937714
Cc1ccccc1O,0.20574272118026707
CNc1nc(C)c(c(n1)O)C,0.03567787954373731
C=CCN1C2C1c1ccccc1-c1c2cccc1,0.9565687242821441
CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.10735003275030969
O=Nc1c(O)ccc2c1cccc2,0.8401943214269848
Oc1ccc(c(c1)Cl)Cl,0.14685447420627454
CNC(=O)Nc1ccc(cc1)Br,0.2130856630285745
O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9845042308920892
O=c1c2cccc3c2c2c1cccc2cc3,0.5917465427727409
OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6014033460198861
COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.04319247090715246
Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9624309090627473
O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.5210546594027065
Oc1cc(O)cc(c1)O.O.O,0.21288640299697079
NC(=S)Nc1ccccc1,0.7210367140304795
COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8069938627879414
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.15149143010327001
O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.2019943886929662
O=C(n1cncc1)n1cncc1,0.44105148148315904
O=NN(Cc1ccc(cc1)C)C,0.8018747225328705
OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.059938860151598355
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.19665567732178676
ClCSP(=S)(OCC(C)C)OCC(C)C,0.5638155397717145
ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.7430363766830604
COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.5280400597452936
Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.8548759574725252
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.13094728449165138
CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.7552956978655971
c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.9032634526610605
CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.09384748826407693
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.976445106943695
Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.8785763609234006
O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.05408963455762798
Nc1cccc2c1cccc2,0.8016034494480158
O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9738453119994886
OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.19150228375579978
CNCCCN1c2ccccc2CCc2c1cccc2,0.5363314399468069
[O-][N+](=O)NC(=N)NC,0.4351346774435363
Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.03493425607222926
COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.5170628217653082
O=NN(Cc1ccc(cc1)Br)C,0.8877102758190837
ClCCNC(=O)N(CCCl)N=O,0.992238948044681
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.023083810195478872
CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.20120378163339783
OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.5863092454172115
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.05196767369797268
OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8827554489979434
COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.2414739071345073
[O-][N+](=O)CCC(=O)O,0.41720860305459756
NN1C(=O)c2c(C1=O)cccc2,0.6368792134096338
CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.780582340517728
CC(=O)/C=C/c1ccc2c(c1)OCO2,0.6552744166784493
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.5701163305247419
[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.42394792428801814
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.6198455379749642
Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.7206099289176219
OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8690764131296538
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.832633334499232
CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.04910900631912667
ONS(=O)(=O)c1cccc2c1nccc2,0.33019823699416134
O=NN(C(=O)N)C[Si](C)(C)C,0.629178345981281
O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.9593467469443704
Cc1cc2ncccc2c2c1n(C)cn2,0.8903650750675305
C=C1CC(=O)O1,0.1280356305144243
Cc1ccc(cc1)C(O)(C)C,0.06659753777729782
Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7879384628285142
COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.5631596324235687
Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9425240582153238
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9644953922345325
ClC/C(=C(\C(=O)O)/Cl)/C=O,0.6566112126730859
CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9449598710811495
CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.3948454569484782
Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.8463917168143166
COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.3543809448829376
OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.49273298214535205
O=Nc1[nH]cnc1c1ccccc1,0.5989604226774997
O=Nc1ccc(cc1)Nc1ccccc1,0.8705306943243979
COc1ccc2c(c1)oc(=O)cc2CBr,0.6864912949423823
OCN=N,0.5536518318296251
CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.4160143260596526
C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.07103831749287891
c1ccc(nc1)c1ccccn1,0.1760477729303164
c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.8626578668529663
Clc1nncc2c1cccc2,0.5341027525150932
NCCNc1cccc2c1cccc2,0.8987493289457258
c1ccc(cc1)Cc1ccccc1OCC1CO1,0.9140180825674292
OC(=O)c1ccc(c2c1snn2)O,0.5699149485283168
CCCCN([C@H](OC(=O)C)CCC)N=O,0.789143107802747
COS(=O)(=O)OC,0.49694638987803064
Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9003825871725475
C[C@H](COC[C@H](O)C)O,0.09288858484439146
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.11399282144528043
CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.30418941121697574
[O-][N+](=O)[CH-]CCCC,0.5750821725103248
OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.5691303183230816
CNC(=O)Nc1ccccc1,0.11343030753825353
CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.6972342229323107
CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.03270123241849606
O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.3461960717567811
NC(=O)[C@H]1CO1,0.8898190777833246
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.2600158684643792
CCCCCCCCCC,0.05637069969780264
OC(=O)CI,0.5152667225087008
Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.9049971290868616
CSc1nnc(c(=O)n1N)C(C)(C)C,0.3708793080232613
CC1CS1,0.90787522131762
ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.8806623092805086
BrCC(=O)Nc1ccccc1,0.6317463153931917
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.83024032114329
OO[C@@H]1CCCc2c1cccc2,0.5878125464933922
Oc1nc(Cl)nc(n1)Cl,0.1115796873226481
N#CCCCCC#N,0.17323680542317976
C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.44520462622625195
CCOc1cccc(c1)N,0.38559989906879094
SCc1ccccc1,0.27838228134159265
OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.10453709140936465
Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.9298653551027509
CCCCCCCCCCCCO,0.08783765519451665
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.09475714071600806
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.22137792949628057
OC(=O)C1OC1C(=O)O,0.6876464238840809
CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.7837060659930019
CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7733550751557343
COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.0740277900640719
COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.23947437533467678
[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.35345887613200666
CCOc1cccc(c1)[N+](=O)[O-],0.7695602906998468
O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.1265723106687623
COC(=O)C(Cl)C,0.7691846626355443
COC(=O)c1ccc(cc1)O,0.20026168803269068
CC(Nc1nc(O)nc(n1)O)(C)C,0.0539592707243175
[O-][N+](=O)c1cccc2c1[nH]nc2,0.8430613088031113
COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.979160006301187
COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.3963032122256715
OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.8354812819279043
CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.02680282930713744
O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.1386018577556484
CCOC(C)(C)C,0.05651417446155014
ONc1ccc(cc1)C(=O)C,0.7394566563941792
N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.17435055365390154
ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9549509091316184
OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.034083519653681074
Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6662143887737387
CCCCCCCCCCCC(=O)NCCO,0.2639126963128529
Cc1cccnc1,0.26395946952203675
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.15071946759722954
c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.9137902287178702
Cc1ccc(cc1)O,0.14929891875991
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.21844733592663665
Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8013003201898365
CCOCC,0.11810082534712228
O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9411015719147168
CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.0430758020534811
O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.12077117958001271
ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.7107557476297705
c1ccc(cc1)Oc1ccccc1,0.13798361718896457
ClCC(CCl)Cl,0.4972016155650708
CC1CCc2c(C1)occ2C,0.037606555761309
CC(=O)CCC(=O)C,0.10574013043927609
c1ccccc1,0.16324282565596807
c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.8902773841550233
Nc1ccc(c(c1)O)C,0.3792318007127461
[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.8588526589703838
NC(=O)N=NC(=O)N,0.7328747042907346
COc1nncc2c1ccnc2,0.6618515835982361
CCCOC(=O)c1ccc(cc1)O,0.12786016026381877
CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.08824164646628459
OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.0854094247279188
COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.04906565270245752
O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.9015048588411051
NNc1nncc2c1cncc2,0.8815255326487849
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.4515249358627045
O=C1C=CC(=NC(=O)C)C=C1,0.6315632182837337
O=C(c1ccccc1)C(=O)C,0.317471761588982
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.8435836057696712
COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.779096108876073
CCOC(=O)C(C(=O)C)Cl,0.603713779316454
CCOC(=O)C(=C)C#N,0.33298299827043737
O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.5226728495198031
C1OCCO1,0.044105839095497396
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,0.3658316475237685
CCN=[N+](CC)[O-],0.5889245811196218
Cc1ccc(c(c1)S(=O)(=O)O)N,0.21640219025522078
O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.15457842026324028
COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.42624424453803766
[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.5822484810632592
Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2834347541497053
Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.24384868331589865
NCCO,0.12892006160708008
CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.35543919717206857
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.6778125678405715
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.04159213023889192
OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.30412478196061987
Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.8879958590267599
Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.40899340319474475
CS(=O)(=O)OCCCCOS(=O)(=O)C,0.28081144301331956
COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5520943663343385
C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.2975264042843126
OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.03679810234735283
OCC(CBr)(CBr)CO,0.6425421180324956
CCCC[C@H](C=O)CC,0.09612022041567476
COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.5878348585886847
Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.24540355134949657
Cc1cccc(c1)C(=O)Cl,0.4172289713196972
Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.7896595090482156
COC(=O)c1csc(c1S(=O)(=O)N)C,0.30825336467799325
CC([N+](=O)[O-])(Cl)Cl,0.9041333481853406
O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9634090620796286
O=NN(CC(=O)C)CC(=O)C,0.7345149337893764
OC1C2OC2c2c(C1O)ccc1c2cccn1,0.8136838502891094
NNc1ccccc1.Cl,0.896556827538093
CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.03212675753638427
Cc1cc(C)nc(n1)N,0.14568984371034316
COC[C@H]1CO1,0.8717177613016397
CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.4776252125323464
ClCCCN(C)C,0.5969067856022149
COc1cc(N)ccc1C,0.4976587617701164
CCC/C=N\O,0.43801325316992124
O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.6732222397305163
CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.11486963162387571
O=CC1=CCC(CC1)C(=C)C,0.14360901204240661
Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.965173794401534
Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9286058023827021
CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.7012387699297588
CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.884041118769763
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.14011730770315983
[O-][N+](=O)c1ccccc1C(F)(F)F,0.29788229193547544
c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6206149252420783
CN(N=Nc1ccc(cc1)Cl)C,0.698554440169231
C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.4073070819103723
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.00785677422993594
c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.942237409222826
O1CCOCCOc2c(OCCOCC1)cccc2,0.4974113420706132
CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.1593394993940839
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.1115243264991644
N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.7490060422915538
O=NN1CCC[C@@H](C1)Cl,0.9616603770364809
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.46888736832344347
OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.39263147914406205
Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.3716602483434136
OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8069681019615763
Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.6071517998300879
CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.06047097525709804
[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.7382169088189743
Nc1cnc2c(c1C)nc1n2cccc1C,0.8303491607068363
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.046291856632195885
OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8531973396612111
Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.5615349691809639
[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9858609855535779
O=C1C(=O)C2(C(C1CC2)(C)C)C,0.11834049381135012
O=Cc1c2ccccc2cc2c1cccc2,0.8290708387430334
C[C@H](c1ccccc1)O,0.13620955780442015
[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.760999203125259
BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9674006433148757
CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.14700681288844764
COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.6755056271545343
Cc1ccc(cc1)OC[C@@H]1OC1,0.905605224817572
C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.03031490417811387
COc1cccc(c1O)C=O,0.4694538246627845
Nc1ccccc1.Cl,0.39447335261532956
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.3628397752176749
O=CC=C(Cl)Cl,0.7128091767347293
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9493051805497255
OC/C=C(\CCC=C(C)C)/C,0.13330477394113804
CC(=O)OC(=O)C,0.18612039261536795
O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.6186987174094755
CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.0745042932155656
COS(=O)(=O)C,0.1461433681367449
C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.06313482232497956
COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.1613810154438454
[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.8127953922245481
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.08083303579935218
N[C@@H](C(=O)O)CS,0.088742192497568
CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.586835238424665
CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.4999976417477695
O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.18322257655856738
COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.5808237945448945
CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.3150804944839937
O=Cc1ccco1,0.5132784209454553
O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.1696926072436596
O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.6209430908481108
Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.42181554490769746
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.10700205436628556
Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.8840637467319742
COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.17064817704526541
[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9824085353679083
BrC(c1ccccc1)C(=O)NCc1ccccc1,0.36664483391586594
CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.055235302540123016
CC(c1ccccc1)N(C)C,0.20677648679538754
O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.651556309977932
COc1ccc(cc1)O,0.18562503805222347
COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.18848802233328676
Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.0890220427338772
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.056031881677947065
Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9476806278393549
CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.19946895660084638
[O-][N+](=O)c1cccc2c1cccc2,0.8599373261539263
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.19594572456145026
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.20537314563619077
CNC[C@H](c1cccc(c1)O)O,0.1926296309057129
COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8667189242911425
OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.8640447368269005
c1ccc2c(c1)cc(cc2)OCC1CO1,0.9572406917314102
[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9131476218593964
OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8832998130542074
CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9149295564466984
[O-][N+](=O)c1ccccc1C(=O)C,0.8172905116754575
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.35757087330832676
OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.06273731824213599
CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.3211172367750739
Fc1c[nH]c(=O)[nH]c1=O,0.11463242178938672
OCC[C@H](CCC=C(C)C)C,0.0788678465403738
C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.2169889793313261
CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.8678902861208725
CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8617001484552805
[O-][n+]1cccc2c1c(O)ccc2,0.5109615311916521
OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.17021881063004746
CCn1c(N)nc2c1c(C)cc1c2cccn1,0.9138127342658244
CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.9117426334633455
O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.5637847878628585
ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9111681556749356
OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9059988168532096
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.11286023483098502
CC(=O)ON(c1ccccc1C)C(=O)C,0.5537169860279294
CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9576919753891531
FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.5350576738403939
c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9390470172671577
Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.8592941565832743
Nc1cccc2c1nc1ccccc1n2,0.8993254062070698
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.43031204513260723
Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.5849746781419201
Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8791797423150803
ClCc1ccccn1,0.5147638304536182
CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.098936754192874
OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7562271886435208
O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.8348605591131304
CCCCN(CCCC)N,0.5069077323188332
CCC(Nc1snc2c1cccc2)C,0.43187546275392863
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.22532681376170768
CC(CCOC(=O)/C=C\c1ccccc1)C,0.12365365522377478
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.028380869958751765
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.7575099548064507
COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.2414739071345073
c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9511552038751063
Nc1c2ccccc2cc2c1cccc2,0.8983088129906683
OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.26697061159572344
C=CCc1ccc(c(c1)OC)O,0.1833762619375199
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.5489599973214102
Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.866109967067217
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.39043404755410355
[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.8907398624376971
Clc1ccccc1S(=O)(=O)N,0.15432598239341472
COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.974484391258512
Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.9161192862796702
O=Nc1ccccc1c1ccccc1,0.5868255900519209
Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.7606616360636248
COC(=O)c1ccccc1O,0.16106396645846022
CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.4672014351305058
CNC(=O)Oc1cccc2c1cccc2,0.4388029915858982
CC(=O)N(c1ccc2c(c1)cccc2)O,0.8423893893091688
O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.05196767369797268
Oc1ccc2c(c1)cccc2,0.3904951015487904
ON1C(C)(C)CCCC1(C)C,0.06603610483248504
CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7727375046205033
CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.1971403001730261
Nc1ccc2c(c1)scn2,0.7680254564717729
ONc1ccc(cc1)N=O,0.9032254171600906
COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.29898754397893185
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8215064755719331
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.47192985916618396
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9806875082688066
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.2795106964492843
CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.6721994147383854
BrCc1ccc(cc1)[N+](=O)[O-],0.8762062355613263
O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.879443514625591
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6723264488822233
NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.611717047943683
ClCCN(CCCl)CCCl,0.8444648766487134
O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.6992841572132847
COc1cc(CNC(=O)C(Br)C)ccc1O,0.3963032122256715
OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.9348717699788657
CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.7761218085691073
CCCCC#N,0.08174474842097704
O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.24873611636015994
Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.687285483735388
OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.2952808281077724
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9734110559346171
[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9819922024813609
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9683033761386522
CCCC[C@H](CO)CC,0.030156232407567415
CC(=CCC1CCCC1=O)C,0.07614608597058588
CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8772547097042813
ONc1c(C)cccc1C,0.7282516288799494
CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.06046367319441657
COC(=O)c1ccco1,0.2738498343597769
O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.5967229822070362
OCC12OOC2(C)c2c(O1)cccc2,0.45100782978950626
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.30152471554113136
Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.017954213286804844
O1CCOCCOCCOCC1,0.11936905363606633
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.0495649005275014
CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.7584862181383529
ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.3029448362396512
OC1=CC(=O)C1=O.[Na+],0.7908165191373059
CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.8437550102447002
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.047508075800766866
Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.7556970147625686
O=c1ccc(c[nH]1)C(F)(F)F,0.13810874286436806
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.8737610185242637
C[C@H](COC(C)(C)C)O,0.06736097674199176
CC(CCOC(=O)CC(C)C)C,0.11929116683309005
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.07426468446024359
CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.24564556561057097
OC1C2OC2c2c(C1O)ccc1c2nccc1,0.8145939552834905
c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9291736307652387
C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.06999586686124945
Sc1nc2c([nH]1)cccc2,0.45002336019353667
Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.6469473544330224
c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9753317129266192
Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.387199840517433
CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.10018404273485262
COC(=O)CCCCC(=O)OC,0.172636567820846
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.27770850162268035
CONC(=O)Nc1ccc(cc1)Br,0.41150794523609263
Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.9060409597119794
Nc1cnc2c(c1)cccc2,0.6959822435608064
OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.8415206268872445
ClCCN(P(=O)(O)N)CCCl,0.8010608273084516
ClCCN[P@]1(=O)OCCCN1CCCl,0.8336467113547439
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7311584721522402
ClCc1cccc(c1)[N+](=O)[O-],0.8347317748767931
C[C@H](C(=O)Nc1ccccc1)Br,0.6194167772883035
NC(=O)Nc1ccc(cc1)Br,0.3629220110972971
OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.5078351651798274
CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.8591707879589708
OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.3415273498508958
ClCC1=C(Cl)C(=O)OC1,0.829635974221392
OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8100041585549184
CCc1ccc(cc1)C,0.08590995415565954
Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.17655208322274532
Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.27661694309223095
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.9146414508115135
Nc1cc2cccc3c2c2c1cccc2cc3,0.9588049150490915
O1CC1Oc1ccccc1,0.7435203918668257
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.13304771820116923
Clc1ccc(cc1)CNC1CCCC1,0.12564301543964243
O=Cc1ccc2-c1cocc2COC(=O)C,0.4514500701356864
c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.05654875756399214
O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9717431430819861
S=c1ssc(c1C)c1cnccn1,0.13656624567098055
CCC(=O)C(=O)C,0.2331028507254034
C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.8565213690021253
Oc1ccc(cc1)Cl,0.15679984432263297
CN(c1ccc(nn1)NN)C[C@H](O)C,0.485017100817091
Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.4707123409635501
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.16247001358761493
Oc1ccccc1c1nc2c(o1)cccc2,0.09974270654914165
CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.007876499706329467
[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9533727730175958
COc1cc(F)ccc1[N+](=O)[O-],0.6076620563402354
CCCCOCCCC,0.05814950440492349
COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9018291227762603
OC(=O)CC(=O)O,0.04635050483048268
CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.022870269103808835
Cc1ccc(o1)C,0.0769123463671369
CCCCCCC=C,0.09069273564754736
FC(C(F)(F)F)Cl,0.029035444836521554
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.08458076898540641
ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.4292612567245339
Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9401112997248744
COc1ccc(ccc1=O)[N+](=O)[O-],0.7993602941799357
c1ccc2c(c1)oc1c2cccc1,0.7021975385702808
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.027505360492116323
Cc1ccc(c2c1c1ccccc1[nH]2)C,0.8330296787669974
OCCOc1ccccc1,0.31603805192233475
O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.5480657268644173
O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.11453965799416366
O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.2608063688525954
S=C1SSC2=NCCN12,0.6092298528349497
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.917169073814999
[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9412931666975498
Nc1ccc2c(c1)oc1c2cccc1,0.8880401692123998
CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.12173116530088846
OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.2629235182230639
Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.8824465975497918
N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9849746049960726
[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9854780011932334
c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.7279008258364974
Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.5893039612865398
CNCCS(=O)(=O)O,0.3334061018570628
ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.4714446476884757
CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.00525988236945042
N#N=NCc1ccccc1,0.9285432129605866
OC1C2OC2c2c(C1O)ccc1c2cccc1,0.8862211610811264
O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9333702456032573
OC(=O)C(CC(=O)O)CC(=O)O,0.0799565452988766
CCn1c2ccc(cc2c2c1cccc2)N,0.9744449670794408
O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.3134861521305707
COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.7056996710349043
O=Cc1ccccc1[N+](=O)[O-],0.8647536343094476
C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.5731382662162312
OC(=O)CC[C@@H](C(=O)O)N.O.N,0.2629235182230639
CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.12552290944450872
NC(=N)S(=O)O,0.29729700148514293
OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.06488729704566035
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.13171586529534918
NC(=O)C[C@H]1CO1,0.8062694409008566
ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.18735073086394832
C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.23698735270580912
Clc1cccc(c1)C(=O)Cl,0.21972563335128592
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.9326417000222691
OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.14680976082377165
CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.6497436644682454
CC(OC[C@@H]1OC1)(C)C,0.7456159028353332
[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.8420457910089911
NCCNCCNCCNCCN,0.8264736856811369
N#CSCSC#N,0.3204718669086897
OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.07054087502520558
CCNc1cccc(c1)O,0.22790938679646844
O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.10046369644898538
O=NN(c1ccccn1)C,0.6255346867703605
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.4699582144047521
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.1270737213516732
COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.720978586646492
OCCBr,0.9232768175933944
[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9912267679108258
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.1364007313091255
C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.30526885395196585
CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7516852256236216
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.19055781413437306
CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.39959453517245247
OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.34501631331667804
Nc1cccc2c1-c1ccccc1C2,0.701306218303623
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.6554256715503262
CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.18902741416355887
CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.09391051029071378
N=C(Nc1ccccc1)Nc1ccccc1,0.12433338554271521
[O-][N+](=O)c1ccccc1Cl,0.44941022813520887
COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.16017863448099887
c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.8911765076673265
Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.719409002732579
CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.20615901399673053
O=C1C=C(O)C(=O)c2c1cccc2,0.5184002773094191
CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.8169778505841846
c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.8445913980241533
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.19527994410530797
CCCCN(C[C@@H](CC)O)N=O,0.6898373152347033
OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.02606140629572426
CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.6110481151801379
O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.6374412877106379
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.8937114654981533
O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.2956670046350599
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.968465571443488
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.03096011147250112
[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.8469101986086387
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.2094855916259536
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.13403521902758272
CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.2401104530693772
C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.10972705921618489
O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.7787212304468177
Nc1ccc2c(n1)n1cccc(c1n2)C,0.8686789062803197
CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.6091224861858284
O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.3139378703861242
NNC(=O)c1[nH]c2c(c1N)cccc2,0.7566499741649214
OCCC#N,0.11607007588990059
CCOc1ccc(cc1)NO,0.7737280046664265
S=P(N1CC1)(N1CC1)N1CC1,0.9689539224258696
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.41795047914289307
Nc1ccc(cc1)Cl.Cl,0.6182245041262742
N#CC(O)(C)C,0.11965652807070792
Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.9119709524399601
c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.884798501350404
BrCC1=C(Br)C(=O)OC1O,0.864558209183483
Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.8291514287812407
Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.715233769865599
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9686933502612034
O=C(C(F)(F)F)C(F)(F)F,0.034250197625307656
OCC(CBr)(Br)C,0.6034530322227818
c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.8446899141435754
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.030291898009488328
CC(=O)/C=C/c1ccco1,0.1833622752657655
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.5818797819039978
Cc1cc(C)cc(c1)N,0.33227992338985035
O=NN(Cc1ccc(cc1)C(=O)O)C,0.5578629236946855
COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.05085272568450487
CC(c1ccccc1)CCN=N#N,0.7380186472005668
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9806667309008996
C1CCSCS1,0.10056473173969774
Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7362788595023052
COc1ccc2c(c1)C1CCCCC1C=C2,0.6804220570753213
OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.07470417130965747
COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.650798749186488
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.7590809386542907
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.41886189465604395
CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.8606662660013187
CCC12OC2O1,0.9352412824083143
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.08091846229313618
Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.7809963874435554
Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.09542408088165466
COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.877803663491303
ClC(=O)c1ccccc1C,0.2374695794229307
Cc1cc(C)c2c(c1)c1ccccc1cc2,0.8461386347234968
NC(=O)N,0.31409367273605054
OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.023759683596481
COc1ccc(cc1)C1OC1C,0.7939383451319032
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.042883764926072716
CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9258154365418548
ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.6413357774094984
OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.5484618214648674
CSc1ccc(cc1)Cl,0.18677372890855415
CCOC(=O)c1ccc(cc1)N(C=O)O,0.8350471257045132
C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.7914290543324586
ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.9622565641926182
OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.1445057698097182
N[C@H](C(=O)O)CSCCCl,0.774645704658854
Clc1ccc2c(n1)cccc2,0.505304415609451
ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9398085834598756
O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8109550619774337
O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.05996092396916376
CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.7839316114626815
CCSCCOP(=S)(OCC)OCC,0.31181667545725184
CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.18025650662842246
O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.6837087664896131
CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.37865137678817445
[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.71855282704738
Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.6051533446823546
CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.015839217423177742
Nc1ccc(cc1)c1ccccc1C,0.8032901781853049
COc1ccc(cc1C(C)(C)C)O,0.10078445253183518
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.014866372179920128
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.21250324490253153
Oc1[nH]nc2c1cccc2,0.1267600079887172
CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.39876223677191763
O=Cc1cccc(c1)c1ccccc1,0.559409562293022
O1C2C1C1N=NC2C2C1O2,0.8687423006121847
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.07221561555680249
FC(C(Cl)(Cl)F)(Cl)Cl,0.013349877293272083
BrCC(Br)(Br)Br,0.5391074103083687
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.6937549396208837
Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8673085761671604
NC(=O)N/N=C/C(=O)O,0.7153175946146093
O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.4550773332040926
[O-][N+](=O)c1ccccc1Br,0.3104310311186382
CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.256543071117275
CCN(C(=O)N(C)C)N=O,0.921536415370861
CC[N+](=NC)[O-],0.6886447953464153
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.1439652733893445
CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.160934872715786
OC(C(Cl)(Cl)Cl)O,0.4773300702573313
OC[C@@H](CI)O,0.7683750391513529
CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.9423183720506915
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.8917589802954937
OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.2908468667532489
CNP(=S)(N1CC1)N1CC1,0.9651726988749589
CC(N(C(C)C)N)C,0.7311415591682654
Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.14555182213724382
Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.7166560821821086
Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.9111704412128458
Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8551576038715116
O=C/C=C(\CCC=C(C)C)/C,0.30803362519808614
CC(=O)Nc1ccc(cc1)C,0.22456733557116318
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.38182893003784263
Nc1ccccc1N,0.7065302459924351
CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.025969758596003853
OCCN1CC1,0.7085732097523685
C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.14624696855274782
[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.8262610657935947
c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9062833573447739
O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.5859695437010487
[O-][n+]1ncc2c(c1)cccn2,0.5405214151987272
COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.5168721323045985
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5756972078372035
CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.6257470581096138
c1cnc2c(c1)C1OC1CC2,0.3883843128905837
CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.028977405444582435
CC(=O)CC(O)(C)C,0.054897249404216454
CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.8832697607156165
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.984856161575051
Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.808954655452473
CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.32096717088871746
CC[Si](CC)(Cl)Cl,0.19157906949111342
Cc1nccc2c1[nH]c1c2cccc1.Cl,0.6241475598506544
Nc1ccc(cc1)S(=O)(=O)O,0.20973424196074208
[N-]=[N+]=NCCC(C(=O)O)N,0.8466533444175548
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5255463950386857
OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.9035100800831051
C1CCC2C(C1)c1ccccc1C1C2O1,0.5122569577689312
CC[C@@H](NCCN[C@@H](CO)CC)CO,0.05748541902319381
OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.8873716914660582
BrCC(=O)c1ccc(cc1)c1ccccc1,0.6799341315332552
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.32237121889483433
CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.010786174202124217
CNS(=O)(=O)c1ccc(cc1)N,0.4178296215277321
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8878430023485534
OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.12036032181616203
CN(N=O)CCCC,0.9014231355217596
O=C1C=Cc2c3c1cccc3ccc2,0.5903983819763362
CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.8103060682346035
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.10264859460174042
CC(=O)OCCOCCOCCOC(=O)C,0.5394946998678608
Oc1ncnc(c1)O,0.1474139228346494
CCCOS(=O)(=O)C,0.3093658713140454
OCCCCl,0.7322823064109983
Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.30618096723665594
CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.07516478843804146
Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.8903955717564506
OCc1ccc(cc1)O,0.2938259489412531
CCOc1ccc(cc1)N,0.6348822037742022
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.6358480623807891
O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.7842861503100228
ClCCOCCCl,0.8611746526474288
c1ccc2c(n1)c1[nH]ccc1cc2,0.8083301789429239
O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.8908539244434946
CC(=O)c1ccncc1,0.2724475812617279
OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.03768716312966211
O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8616978580777003
CC(NC(C)C)C,0.10350333415198457
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8075320802773929
O=C1CCCCC1,0.06315947780946998
CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.07537051790491522
O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.5539407048976691
Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.4293161658773221
[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9564369677031314
OCc1ccc(cc1N)[N+](=O)[O-],0.9181536785184139
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.06224677279681939
Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.7219433626300258
O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.16069391549267129
CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.05585609102370615
CCSC(=O)N1CCCCCC1,0.36875058559009305
CCOP(=S)(OCC(C)C)SCCl,0.7327492912129622
Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.8013998870891833
COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.6195013425777565
COc1cc(Cl)nnc1c1ccccc1,0.2943930361624595
ClC(C(=O)C)Cl,0.8767279995210268
C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.07250600443615736
Clc1cc(Cl)c(c(c1)Cl)Cl,0.09267399978138859
O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9661856438541383
COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.3358603959072412
OC1CCCCC1,0.03194217076469448
CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9428064581440957
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.7645655430263777
CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.2482474963967451
Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.728510727750781
OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.6629888851525693
c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8921645902263731
N#N=NC(c1ccccc1)c1ccccc1,0.863549627297641
Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.7133821162676041
Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.8767339722253508
C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.06388047736295724
O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9656536540878956
O=C(c1ccccc1O)OCc1ccccc1,0.12721636670747435
CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.709015605263712
[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9206080469914697
Cc1cccc(c1)Br,0.10397645913439395
CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7474606489497934
O=S1(=O)CCCC1,0.27549574771598756
[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.877732722239121
Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9563259217935077
OC(=O)c1ccc(c(c1)Cl)Cl,0.10346888725376996
C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.6622828756064644
OCCO,0.1523007273824336
[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9738037086714758
NCC(=O)Nc1ccccc1,0.4044264285050888
CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.14352320739937233
Nc1cccc(c1)N,0.4585468781440287
CCOCCOC(=O)C,0.565445243177209
Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.7657786195149865
OCC(CO)(C)C,0.028972753749682965
OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.4106678701651008
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.347181755499903
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.20117990088144427
NC(C(=O)O)CN=N#N,0.9351160050915716
Cc1cnccn1,0.2622145644617605
Cc1ccc2c(-c3ccccc3C2C)c1,0.6389060301576958
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.8627134379702006
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.14921443524582992
COc1ccc(cc1)C=C,0.2922416350132852
OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.3666056278387735
[O-][N+](=O)CC,0.729368069018348
CNC(=O)ON=C(SC)C,0.6411657427091894
CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.2843771944994797
CCOC(=O)[C@@H](C(=O)C)Cl,0.5487288168954385
c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9669453497400364
c1ccc2c(c1)cc1c(c2)cccc1,0.9035712534069874
Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9920161478942885
Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.8853493950673789
BrC(C(Br)Br)Br,0.6842467255912389
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.3798041121124397
OC(=O)c1ccco1,0.405494374954147
O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9896594056429059
CC(S(=O)(=O)Cl)C,0.8176858737406673
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.2711262972391184
COC(=O)C12OC2(C)C(OC1=O)C,0.5365872785104305
O[C@@H]1OC(=O)C(=C1C)Cl,0.5129659502289436
OC1C=Cc2c(C1O)ccc1c2nccc1,0.7641118802792084
COc1cc(ccc1O)C(=O)C,0.22827315516913455
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.1808979412400454
CO[C@@H]1OC1(C)C,0.840303879873139
COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.20628005194634222
OC(=O)c1cc(O)c(c(c1)O)O,0.16260336322242752
Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.35641622613468804
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.1387211034958527
O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.1655271489222678
CN(/N=N/c1ccc(cc1)Br)C,0.4596967862404626
O1C=CC2C(C=C1)O2,0.5140935515169803
OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.21604166812144557
c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.5048246073734786
Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9370950154645702
N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.035736825857868866
O=C1C=C(C)C(=O)c2c1cccc2,0.7411904094668716
O=Cc1cccc2c1nccc2,0.5148794752445043
O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.5458290869795432
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.9121612592494182
CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.2836394379409768
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.6873683054962269
CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.6840181036056121
O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.5168768807732281
O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.1279303915364093
[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9472688098219272
COc1ccc(c(c1)C)N,0.5697170596844052
Cc1nnc(c(=O)n1N)c1ccccc1,0.7341896146764739
OC1OC(=O)C(=C1Cl)Cl,0.7594044253537113
NC1CCCC(C1)N,0.15434550838651104
C/C=C(\C=O)/Cl,0.6796549903851908
COc1ccc(cc1N)N,0.6180496908183949
Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.7703454244579793
Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.48129970528433613
[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.978560603383964
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.04339296723636072
OCC#C,0.018893354117750862
OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8681133251353675
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8211401754285862
CCCCCCCCSCN1C=CN(C1)C,0.6203966166093007
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7282760229213424
CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.09364088597628042
CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.39506046398068095
NC(C(=O)O)C(C)C,0.08988499169245023
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.85001746220321
CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.5943645720625752
OC(=O)CCC(=O)O.[Na+],0.04278197174576058
OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.7326998041900211
C1=C[C@@H]2[C@H](C=C1)O2,0.6426293219393504
COC(=O)C(=C)Cl,0.4306941896647983
CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.09035097724525609
COC(=O)C(NC(=O)C)CSCC(Br)C,0.6443128142108537
CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.21382223916866433
CN(C(=S)SNCCNSC(=S)N(C)C)C,0.5495717836539536
COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.2032864717104656
Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.6479395241121365
CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7415837008860645
BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.628200464537688
CCN(c1ccc(cc1)[N+]#N)CC,0.8795087166486321
ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.4872719836805865
CCN(C(=O)N)N=O,0.7230115605965927
[O-][N+](=O)c1c(C)cccc1C(=O)O,0.5491274433720701
CC(C[C@@H]1NC(=O)CNC1=O)C,0.07489041176609192
CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.02344744442908466
N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9064666385681366
OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.6696684972267004
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.27405701427382706
O=Cc1ccc(cc1)N,0.6296162327744298
CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.19619157096711795
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,0.009223952701030855
ClCc1ccc(cc1)CCl,0.5304647732577242
O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5522135914440381
OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.37024359668477297
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8270212104527811
Oc1ccc2c(c1)cccc2O,0.5019440177532967
Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.5270572147520947
CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.426969536754027
Oc1cccc2c1nccc2,0.29261590339172655
CC1(OC1)c1ccc(cc1)c1ccccc1,0.6416024924492103
CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.405679435070759
O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.8657925368026951
C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.6683285736083556
c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8944420265094425
OCCOCCO,0.24891553489439133
O=NN(c1ccccc1)O,0.7832775179914702
Cc1ccc(cc1NCC)O,0.28853583998676424
Nc1scc(n1)c1ccccc1,0.7513547501510663
ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9845994185285963
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.20394055021299817
OCCCNP(=O)(N(CCCl)CCCl)O,0.6028578382144422
O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.23114147961937295
OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.3923814329849778
O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.5683427097657803
O=CC1=CCCC2(C1(C=O)C2)C,0.8301519731317608
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.08887828942422704
FC(c1ccc(cc1)Cl)(F)F,0.12024372087196235
CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.15925531322435846
CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.731133651879242
Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.25248097922494583
COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.0865658691703356
CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.1187111898882101
CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.06373043331236711
Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.49842030239222024
Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6840413897979805
Cc1cc(C)nc(n1)Nc1ccccc1,0.1614125201424054
COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.1289598300716829
Cc1cccs1,0.18511558923456725
CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.24843109377342068
OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.8489303779219853
C[C@H]1CCOS(=O)(=O)O1,0.5803472349336091
CCCCOC(=O)c1ccc(cc1)N,0.19716239497925755
Clc1cccnc1,0.3467941041401698
Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.6811059309431503
O=NN1CCC(=O)NC1=O,0.7229709509428762
Nc1ccccc1c1ccccc1,0.6428839788976309
O=C1C=CC(=N#N)C=C1,0.8877206446504771
COP(=O)OC,0.36487005486905655
OCC12OOC2(CO)Oc2c1cccc2,0.3906378554143411
Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9446091135785366
ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.656195497898917
C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.0748698017640023
COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.3917043223200722
COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.7935982338824125
C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.8388095418629233
COC1=CC=CC=CC1,0.2585370766840112
[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9847164212045426
OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.14733220926632884
CN(P(=O)(N(C)C)N(C)C)C,0.08623553004174954
O=NN(C(=O)c1c(NC)ncn1C)C,0.6961631770171179
FC(C(F)(F)F)F,0.0917612300040898
OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.1410151177555185
c1ccc2c(c1)ccc1c2cccn1,0.8640714027587693
COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.9571280990883418
BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.8587524194436325
[O-][N+](=O)C1CCCC1,0.6942581731960163
Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9761177290801297
OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.4710534744636757
Cc1ccc(c2c1ccc1c2cccc1)C,0.8138538923355944
c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9519660098305305
O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7500631838475059
O=CN(c1cccc(c1)Cl)O,0.755463011772426
CC(NC(=O)Nc1ccccc1)C,0.06510215428998521
NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.9492199958639865
C[C@H](CN1C[C@@H](OC1=O)C)O,0.24695263227670106
ClCC(=O)CCl,0.8317265647221054
CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3344633924199325
NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.22639658430588014
ONc1nc2[nH]c3c(c2cc1C)cccc3,0.8433502270081944
[O-][N+](=O)/C=C/c1ccccc1,0.7514394685653559
COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.8974760740518559
O=C(c1ccccc1)OOC(=O)c1ccccc1,0.32845073930622676
CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.0827513530323883
CCc1cccc(c1NC(=O)C)CC,0.10443582325690255
OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.1665655048123997
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.05023815531497753
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.23489048902337986
ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5073341280183724
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.06238020741487704
[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.8213711789579117
Clc1ccc(c(c1)Cl)C(=O)O,0.0631462657506074
ClCC(=O)c1ccc(cc1)NC(=O)C,0.7722476242170283
O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1564250261081822
COc1ccc(cc1)C(C=C)O,0.18168893005196057
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.0500039107591645
[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9718788018182396
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.01858033496354341
[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.8005150100684874
CN1C=CN(C1/C=N/O)CCOCC#C,0.32963659550525065
CCc1ccc(cc1)[N+](=O)[O-],0.7069952242441534
CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.22191780045196696
Nc1cccc(c1)S(=O)(=O)O,0.22966978534784974
OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.7874896066232263
CCCCO,0.029449712398263956
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.059909840020128245
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.06822127698244007
OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.3064222179135274
CC12OC1C1CCCCC1c1c2cccc1,0.43322132624610366
OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.4974788807976907
CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.028564143616273924
O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9561711535750367
Oc1ccccc1c1ccccc1,0.1726299608282859
COc1ccc(c(c1)C(C)(C)C)O,0.044256039108102295
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9672468751286354
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.94825252556486
Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9417218804173126
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.3567027831174145
c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.8463185562105568
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.02385172878736
Nc1ccc(cc1)Br,0.44628634480895346
CCCO,0.052011236598424215
CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.1623780080193239
Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.1922746053291092
O=Cc1ccc(cc1)Cl,0.4293687017397349
CC(=O)C,0.05532925448235385
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.898241872472236
CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.8938291874031983
ClCC[N+](CCCl)(C)[O-].Cl,0.34226437932294945
C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.43134749121400484
CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8978847620476621
OC(=O)c1ccc(cc1)[N+](=O)[O-],0.6949110099668925
Oc1nc(O)nc(c1)C(=O)O,0.08792627995615195
OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.12794295278896664
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.3452484599427335
ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.5117412965008932
CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.674903137691904
Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.8137995899744418
CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.5494677538765347
OCc1c(N)cccc1[N+](=O)[O-],0.8390239373489022
CCNc1nc(N)nc(n1)Cl,0.26770312066203206
[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7086457107839136
[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8070270657650225
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8429107251666281
CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.8527385190756511
Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.9544433470554302
Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7204395631268655
OCCc1ccccc1[N+](=O)[O-],0.8291784120370538
C=CC(=O)OCC(C)C,0.15112570077735443
O=C/C=C\c1ccccc1,0.3811210927104167
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.07094220574629864
COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.7974720617841861
O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.956769340195057
O=NN1CCCC1,0.8902099528917895
O1CCC2(CC1)CO2,0.2145553064306375
Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9769984923963433
OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.20550919579414878
O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.4540781433796614
OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.17623492035121321
O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.07501162646281972
CCOc1ccccc1C(=O)N,0.15518763064555297
O=Nc1ncn(c1c1ccccc1)C,0.6809478102965901
NCN,0.1281523736510401
C[n+]1c2ccccc2c(c2c1cccc2)N,0.8313590339715432
CNC(=O)Oc1cccc2c1cccc2,0.45207827343044166
[O-][N+](=O)c1ccc2c(c1)CCN2,0.9548464976988261
CN(C)C,0.05761519890097795
[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.9341088198267677
O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.6918434951246171
OC(=O)COc1ccc(cc1)Cl,0.10995284270691305
Clc1cccc(c1)Cl,0.12044522452656617
COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5036855652925314
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.48540119813549615
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.1706517205352557
ClCCCC(=O)N(c1snc2c1cccc2)C,0.6779116840478279
CCCCCCOC(=O)C(=C)C,0.17817307366622187
O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8309478632482931
CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.06298130151715983
Nc1ncc2c(n1)nc[nH]2,0.5678735542288089
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9624990746240117
OCC(CBr)(CBr)CBr,0.36719493520546304
CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.20696942602193388
COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.8419689260829077
CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.6481347718039487
OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.028175050423121264
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.3287162510842812
CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.31437469511097776
ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8091763860175835
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9443461981936744
Cc1cccc2c1nccc2,0.5452978321861299
CS(=O)(=O)O,0.032377622773158234
CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.8537136684283051
O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.6123972171246387
C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.4875756886528672
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.06626495385403305
CCCCN(CCCC)CCO,0.06022611200674119
OC(=O)Cn1cncn1,0.06948121112066782
O=CCC(c1ccc(cc1)C(C)(C)C)C,0.02726956604742456
CCS,0.20134084390658627
ClCCCC(=O)N(c1snc2c1cccc2)CC,0.603888739062041
O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7466619394153581
Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9252397194547048
Nc1[nH]ccc2-c1c1ccccc1n2,0.784496556618712
CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3585663800149022
CNc1ccc(cc1)/N=N/c1ccccc1,0.8352317059275995
[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7086356112346665
CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.3885819979417723
[O-][N+](=O)c1cc2c(N)snc2cc1,0.9627263560323365
CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.11442800212255799
[O-][n+]1cccc2c1C1OC1C=C2,0.866788633900266
Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.21283512746160022
CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.03853849700974328
O=C/C=C(/CCC=C(C)C)\C,0.30803362519808614
Nc1ccc(c(c1)Cl)C,0.7179651574921024
O=CC[C@H](CCC=C(C)C)C,0.13370837053939694
C1N2CN3CN1CN(C2)C3,0.13748336930676944
CCN(C(=O)Cc1ccccc1)CC,0.3852567650407829
CCN(CC)CC,0.10692806615529593
NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.09537848295594284
COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.62340599372418
OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.035550510962285745
NC(C(=O)O)CSC(=O)NCCCl,0.6250487938880892
Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.676420485633711
CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8123431624297137
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.6720834499589224
CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.6258958739437678
Oc1ccc(c(c1Cl)Cl)Cl,0.2266188787463898
OCCN(CCO)C,0.09813298568353486
Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.5054993193483168
O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.0968315661442146
Fc1cc2cccnc2c2c1cccn2,0.6350897005299756
CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.17954157929596762
CC12OOC2(C)Oc2c1ccc1c2nccc1,0.7587666645972567
CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.0888902357150784
NCc1ccc(cc1)CN,0.531118577593692
ONc1cccc(c1C)C,0.6025340938198177
[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.6538893454507162
Cc1ccccc1Cl,0.18340605118906397
CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.06476686276430622
Nc1cnc2c(c1)c1ccccc1cc2,0.9401699313751916
ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9625380351687903
Nc1cccc2c1cc1ccccc1n2,0.9407246071197352
NN(Cc1ccccc1)Cc1ccccc1,0.5525490199798384
COc1c2ccc(cc2nc2c1cco2)O,0.7930586824151821
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.656170409009338
Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.8240717216963434
OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.01021380533777759
OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.12111731172693496
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.05409298353960212
CN1CCOCC1,0.1205742850625232
CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.11289170545376156
OC(=O)COc1ccc(cc1Cl)Cl,0.14733220926632884
C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.11881466668833901
OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.027366956629694614
Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9555178563046023
c1ccc2c(c1)cccc2,0.5523793989129704
CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9853129484329887
NNC(=O)c1ccncc1,0.43923394392622017
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.9307044408116311
OCc1ccccc1[N+](=O)[O-],0.8140773499073222
O1COCOC1,0.07718300949656585
[O-][N+](=O)CCO,0.6643043404239029
ClCC(=O)NCc1ccccc1,0.6971374022997043
O=NN(Cc1cccc(c1)Br)C,0.8457293089456702
OC1C=Cc2c(C1O)nccc2,0.3026196488425221
ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8632836935348923
OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.508743162930908
COC1OC1(C)C,0.840303879873139
O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8839312736000171
CC(=O)OCc1ccccc1,0.16334197619436017
Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.7946942282180883
c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8291091682727078
ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.28961416036451737
ONc1ccc(cc1)c1ccccc1,0.8075855134241142
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.06265122301354177
ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.7975839919646589
c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9495709425185598
OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.15581210410315907
CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.23069632700957757
Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.961845395250759
OC1OC(=O)C=C1CCl,0.8013923135491365
CCC(=C)C=O,0.2976982842450937
N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.8863724035062386
OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.048007563315434945
Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.057424566396967844
COc1ccc2c(c1)nc(n2C)N,0.7053265859416586
CN(CCOC(c1ccccc1)c1ccccc1)C,0.22444588022179487
CCCCCC(=O)O,0.04923001545141533
Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.3771685183243173
Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.934489711618048
CCCCCCCC/C=C\CCCCCCCCN,0.13907169966244967
COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5523032395394167
CN/N=N/C,0.8854832449269492
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8001187509493183
Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.1344566240292719
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.9531263548767271
Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8908706077972264
C[n+]1c2ccccc2nc2c1cccc2,0.6591030667025987
Cn1ncc(c(c1=O)Cl)N,0.8193287525770315
CNC(=O)ONC(=O)C,0.6141907224325875
S1CCSCC1,0.0644497842529143
CC(OC[C@@H]1OC1)C,0.8161316784866761
C1NCCS1,0.06080437802064986
O=C(C1(C)OC1)NCc1ccccc1,0.7553943410964443
C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.01744931655482254
ClCCBr,0.8627478010642415
CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.23309071250122237
c1ccc2c(-c3ccccc3C3C2O3)c1,0.8078854775331259
CCCCCCCCCCCC(=O)C,0.07091538232491429
Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.7651798142711613
Cc1cc2-c3ccccc3Cc2cc1C,0.644505524463398
Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.9168285015354984
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.884638750192683
Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.7185993439857867
Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.8088703829361586
OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.0713706722001104
Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.11953135489969716
[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8776754082670923
Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.8659995635463208
ClCC[N+](C)(C)C,0.18711481823587756
O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.8980094591888247
Cc1cccc(c1)C(=O)O,0.09474886725870921
CCCCCCOC(=O)c1ccccc1,0.15816575179600684
BrC[C@H](Br)C,0.7095781407644663
Clc1ccc(cc1)S(=O)O,0.15953909534625987
CC(c1ccccc1)C,0.10276418703630288
COC(=O)C1OC1c1ccccc1,0.5856940436394379
CCCCOC(=O)C=C,0.17708726046752757
Nc1ccc(cc1)/N=N/c1ccccc1,0.9003955106272894
O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.16883633707599027
C[C@H]1CC(=O)O1,0.20158511107411825
O=C/C=C/c1ccccc1,0.3811210927104167
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.4531168899004546
CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9052981086543066
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9467349659724289
CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.04146606868939878
COc1cc(N=Nc2ccccc2)ccc1N,0.9454348996863859
[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.978149235087671
C=CC(=O)OCC(COC(=O)C=C)(C)C,0.3470224954288919
COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.0454646510777441
CC(=O)C1(CCNCC1)c1ccccc1,0.05263562727633742
O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.9618415993553137
OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.259855057351106
OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8211401754285862
CCN1CCOCC1,0.08291789760054419
OOC(c1ccccc1)(C)C,0.4005709451114932
O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.5189327106529922
OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.042450440873011586
OC(C1CO1)CO,0.8408829206173183
COC1=C(OC)C(=O)C(=CC1=O)C,0.302240835696778
c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.870202269384805
C/C(=C/C)/C#N,0.303322145018192
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9856923003372078
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.04889978466641124
Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.789638640572321
C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.1905676176480227
Clc1cc(N)c(c(c1)Cl)O,0.6913560252336896
O=C(c1ccccc1)OOC(C)(C)C,0.2643190467164349
O=Nc1ccc(cc1)O,0.6741689715063872
Nc1cc(Cl)c(c(c1)Cl)N,0.7182297611109654
Clc1cccc(c1O)Cl,0.13219803891794554
OCCN1CCNCC1,0.059153451318450984
CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8863459140121819
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.38808264958443994
O1C[C@@H]1c1ccccc1,0.7377171003703259
Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9652954284057583
COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.14100982189454653
NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.12372951706813276
OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.09937450412038663
CCN(C#N)N=O,0.857037923094563
OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.09348752554840027
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9771083665613739
O=c1[nH]cc(cc1O)C(F)(F)F,0.188196329182168
ONc1ccccc1,0.442424970503481
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.22945727049901413
O=NOC(C)(C)C,0.667465095903966
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.3287162510842812
CC1=CC(=O)CC(C1)(C)C,0.04776643032209882
COc1c2ccc(=O)oc2cc2c1cco2,0.7793251004401864
O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.7842243888293625
CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.0486713327135732
CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.15044468106860578
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.4528313444415629
c1ccc2c(-c3ccccc3C3C2N3)c1,0.8345968956677886
CCCCNc1snc2c1cccc2,0.34888261232681317
C=CC(=O)OCCN(C)C,0.4373466737431809
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9223146007859101
Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.845463771566509
CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.03366830979370516
[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9867116950280472
Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.3446448473788007
Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7627707130238927
[O-][N+](=O)[C@@H](CC)C,0.5556271784942637
Cc1ccc(c(c1)C)O,0.12726979536104763
C/C=C/c1cc(OC)ccc1OC,0.6600794884870963
N[C@H](C(=O)O)CS/C=C/Cl,0.7775185942847999
CCNS(=O)(=O)c1ccc(cc1)C,0.31726345140143264
Oc1ccc(c(c1)O)O,0.29611493437495695
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.14921443524582992
OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6931822779901249
[O-][N+](=O)c1cc2ccccc2cc1C,0.9214805028252254
OCCSN=O,0.9514050270376319
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.11678468440286183
C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.48456834256213555
O=C1OC2=CCO[C@H](C2=C1)O,0.33685058933013945
Cc1ccc(c(c1)O)C(C)C,0.02988609956841901
O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.0955906270089963
Oc1nc2c(o1)cccc2,0.17677307617329605
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.02245163971181561
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.8847426392228233
O=NN(c1ccccc1)C,0.6986962726772626
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.12351645559697844
CC1(C)C2CC3C(C1C2)(C)O3,0.13645556088984515
Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.09586927171447723
N[C@@H](C(=O)O)Cc1ccccc1,0.08184137892329948
Clc1c(O)cccc1Cl,0.1323268448521185
CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.04203979339265548
COP1(=S)OCc2c(O1)cccc2,0.2565225653191991
O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.6384792753834321
c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9223582991702483
BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.7774163065310159
Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.45192644579169516
Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.4799762702086909
CCNc1ccccc1,0.27479340023277576
Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.8007981287582647
Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.945213270662018
BrCc1c2ccccc2cc2c1cccc2,0.9542164365860282
CSCCC=O,0.425320530647464
CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.10026371217058833
O=C1C=Cc2c(C1=O)cccc2,0.5539842876330233
CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.6400147499528429
O=C1NS(=O)(=O)c2c1cccc2,0.046568527191437024
Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.48987203663599327
O=C/C(=C(/C(=O)O)\Cl)/C,0.4097152320835444
CCCCCCCCCCO,0.07710486691124734
Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.6112316217311664
CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.02419228753246197
COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.5573382849472419
COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.23650871956725247
O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.398514508472281
CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5928592738619867
CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.13209392101790715
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.979309066989219
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.35058954039340773
OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.16744401476411813
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9812425340430894
CCC(OS(=O)(=O)C)C,0.3428492313727021
O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8014632274234629
C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.8540524798881431
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.050233602859027386
Nc1ccc(c(c1)N)C,0.560593571855664
CC(Cc1ccc(cc1)C(=O)C)C,0.08651151640345806
CC(C#N)C=C,0.14838352205162184
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.38453069976206655
O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.4775983692392058
CCN(c1cccc(c1)O)CC,0.15835807305354402
Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9253172392168875
C=CC(=O)NCCC[N+](C)(C)C,0.08941870791787752
C=CC(=C)CCC=C(C)C,0.17579985558318695
CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9328028808155713
C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.883757317358194
Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.6195162446131743
CCNC(=O)CCC(C(=O)O)N,0.159099635975005
Cn1c(N)nc2c1cc1ccccc1n2,0.9229217044787359
OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.251047494215058
NCCCN,0.15585036166329394
CCCCCCCCC=O,0.1396318369253372
[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9638698849499066
Oc1ccccc1Cl,0.1730676469549294
CC(=O)Nc1cccc(c1)O,0.14797039523881975
Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.12665701230563778
OCCS,0.3032940895003064
CC1(CO1)C1CO1,0.8127688044150075
Nc1ccc(cc1)N=Nc1ccccc1,0.9003955106272894
Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.1691074500376921
Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.13208166511190436
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7576778302586499
Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.970339622610481
OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.08838138740735033
OC(=O)CCc1ccccc1,0.04406629620141771
CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.6556833168979528
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9133070411625072
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.107276494751515
O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.20184824794179254
CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.8105386070144203
CNC[C@@H](c1cccc(c1)O)O.Cl,0.225608688981651
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.968420216593294
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9604318151037882
O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.08320197324137131
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.017151905017444197
CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9061057512637946
O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.11022633911724157
CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.6890090246483287
OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.3312454908654647
CCNC(=N)N([N+](=O)[O-])N=O,0.7788036873996653
OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.6732612849489928
SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.07797942901067287
[O-][N+](=O)c1ccc(c(c1)O)N,0.9090150874203535
Cc1cccc2c1cccn2,0.45202836153616655
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.8850968201782162
CCCCCCC=O,0.20752201550346008
CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.649139123180866
CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.7257362790419303
CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6789727312438867
NN(c1ccc(cc1)C)c1ccc(cc1)C,0.7958053628555971
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9812653455401648
OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9530331843729373
Fc1cnc2c(c1)cc(c1c2cccc1)F,0.7615761502453186
Clc1cc(Cl)c(c(c1)Cl)O,0.15473962769382008
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.967422882993366
OCCn1c(C)ncc1[N+](=O)[O-],0.778277915236967
OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.08838138740735033
CC(=O)OCN(N=O)CCCl,0.984542294081079
C/C(=C\C)/CCl,0.658149894271905
BrCCCCBr,0.4521845943913201
CC(C=O)CC,0.25235872114339797
CC(=O)n1cncc1,0.5166774355664027
Oc1ccnc(n1)O,0.21787647184552775
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5832787498538036
CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.6205196992230089
Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.8815310513483661
CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.79599042035451
Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.7366565448932715
ClCC(Cl)Cl,0.6060621159844884
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7570722176937152
O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.21223479036676254
O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9566616107988297
O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9815608121435823
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.8980103911405948
OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.4541231512152756
Clc1nnc(c(c1)O)c1ccccc1,0.10538810171124659
ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9482027872850636
CCCN(c1snc2c1cccc2)C(=O)CCCl,0.45343605692393596
c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.911461295178914
CCc1cccc2c1nccc2,0.3786682804140381
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.482164407139802
CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.8539917792389878
O=NN(C(=O)c1ccccc1)C,0.6926225408296657
O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.7504770815350379
C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.1273007302115553
COC(=O)c1ccccc1,0.1081049147571335
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9914899112217355
O=NN(c1cccnc1)C,0.6251453746360778
CC(COS(=O)(=O)c1ccc(cc1)C)C,0.13469309506948704
[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9683097931850403
[N-]=[N+]=NC[C@H](C(=O)O)N,0.8422464045398814
CC(=O)Nc1cccc2c1cccn2,0.3301841110117721
c1ccc(cc1)c1ccccc1OCC1CO1,0.8303723517758601
ClCCCN(COC(=O)C)N=O,0.9786467080486028
ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.8180130278303067
NCCS(=O)(=O)O,0.19111057587115823
CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.23572248574843296
C1CCC(CC1)NC1CCCCC1,0.11073796250290395
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.17663080218462499
O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.43430882713410934
CNc1ccc(cc1)N=Nc1ccccc1,0.8352317059275995
ClCC[N+](C)(C)C.[Cl-],0.18711481823587756
CC(CCOS(=O)(=O)C)C,0.3662252981993829
CC(c1ccc(c(c1)O)C)C,0.0766026528057126
Cc1ccccc1C,0.1344566240292719
Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.4574358489992316
CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.10428612652016178
CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.7909943221734771
OC(=O)CCCC[C@H]1SSCC1,0.11990256208298727
CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.029412454348819457
O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.37053612410665987
O=c1[nH]cc(cc1N)c1ccncc1,0.5989263931511832
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.2224988542300983
Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9779699682752808
CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.5113389390558098
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9627177560011965
[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9133026075602142
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.6289167894881399
ClCc1cccc(c1)CCl,0.6008445838774696
O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.914557705231
OC(=O)/C=C/c1ccccc1,0.08976164836676663
[O-][N+](=O)c1ccccc1,0.5531862706212106
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.7058236326777145
O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.973704955529503
CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.04063352192839227
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.8669959503076262
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.338278983138183
[O-][N+](=O)c1ccc2c(c1)NCC2,0.9663167859046388
COP(=O)(OC)C,0.2343888124642561
CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.1250707089405101
Cc1ccc(c(c1)O)N,0.4992632450747346
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.5776765834578416
Nc1c(C)cccc1O,0.5789629122348187
O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.3453743880325489
OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.034988649115451305
ONc1ncnc2c1ncn2C,0.5469776550353991
OCc1cc2c([nH]1)c1ncccc1cc2,0.768565727123779
COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.8224218971845383
CCC/C=C(/C=O)\CC,0.27292179864706384
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.047995744419050336
C=CC(=O)NCNC(=O)C=C,0.19966819697616628
COCOC,0.21533711952363543
CCCCCCCCCCCCC=C,0.06927906372281084
ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9685078604043353
CC(CNc1snc2c1cccc2)C,0.5180083740349621
Cc1cccc2c1ccc1c2cccc1,0.9010233234581119
CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.2363769917016598
Oc1cc(Cl)c(cc1Cl)O,0.16040043032789952
COc1cccc(c1)N,0.33284988683262434
Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.676799716555888
CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.8963226466728168
CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.4070973399183552
SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.20815541900456375
O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.7916837460725498
ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.4953075575062169
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.8056009490979026
[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.47701470248715766
CCOc1cc(C=O)ccc1O,0.3425275401521154
Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8402032025065178
OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.31792371262186436
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.21823277208700326
CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8869341056154261
OC(=O)c1ccccc1N,0.10789114360274103
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9542289876558434
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.0583192475596152
CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8539266492320686
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.01715171889344323
[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9512831720813845
ONc1cnc2c(c1)nc1n2cccc1,0.869374893560324
C=CC(=O)OCCCCCC(C)C,0.07947211132237676
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.09546400667036621
CC[C@H]([N+](=O)[O-])CO,0.48490419782947564
OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.08374694504064006
OCC(C(C(C(C=O)O)O)O)O,0.43857333913762325
ONc1nc2c(n1C)ccc1c2cccn1,0.8965814358368013
Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.06537807549730291
CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8932197924197723
Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9471827945076272
CC(=C)C(=O)OC(C)(C)C,0.20732640208581885
COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.3180620828230508
[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9724443352056137
OC1=CC(=O)C1=O,0.7185448474686513
OC(=O)C(Br)(Br)Br,0.7222399091390834
CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6820667873138333
c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.889735699133485
Cc1cc(cc(c1)C)[N+](=O)[O-],0.4527349682148167
COc1ccccc1O,0.18025264450352024
Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.16771865168689615
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.4941512563407871
O=C(Nc1ccc(cc1)O)CC(=O)C,0.23181360203829213
Clc1nncc2c1nccc2,0.6930284566399515
[O-][N+](=O)c1cccc(c1N)C,0.9047457965769339
COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.0504782164916326
COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.8480586372774009
ClCC(=C)Cl,0.6928272971750377
Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8836657121794971
NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.531028113958885
CCCCCNCCCCC,0.13615510685819301
FCC(F)(F)F,0.1555074760284606
BrCC(CBr)Cl,0.7221669040352029
NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9074026470299219
Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.9169387530173245
ClCCN([P@](=O)(O)N)CCCl,0.7594184047357382
CCC(=O)NCc1ccccc1,0.13453224954656964
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7887707488909342
CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8233140507799939
Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.871165316759284
Cc1ccc2c(c1)c(N)sn2,0.76771476065642
Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9494747627702695
O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.1881585642333703
O=NN(C(=O)N)CCC(=O)O,0.7278171997638955
O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8151370374372994
O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.8927868816200576
ClCCOP(OCCCl)OCCCl,0.5536415414687867
CCCSC(=O)Cl,0.3732266586744327
O=NN(Cc1cccc(c1)C#N)C,0.8680236217600157
O=C1C=CC(=O)C(=C1)C,0.6457573686627163
CNC(=O)N(c1nc2c(s1)cccc2)C,0.4468088126066824
Nc1ccccc1SCCSc1ccccc1N,0.4967049852693978
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.8454856028172898
ClCc1ccc(cc1)C(F)(F)F,0.39896537780905833
OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.9141973231555627
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.04081184025272684
Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.005121963073838239
OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7757328950770445
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.010831546487483417
OCc1ccc(cc1)F,0.21664095090293822
Cc1ccc(cc1)CC1OC1,0.606975778250251
Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9739722670478568
[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.6610532052103042
Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8509339238729258
CCCCCCCCCCOC(=O)C(=C)C,0.11965997409486583
ICC[C@@H]1OC[C@H](O1)CO,0.3185635737423935
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4694292422584561
CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.20301339394082482
Cc1cnc2c(c1)cccc2,0.36448413586337497
CCCCCCCCCCCCCCCC(=O)O,0.026020941781146934
Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8545918533981038
Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.8724957989708187
Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.7169181849386094
COC(=O)c1ccccc1S(=O)(=O)N,0.3258091531971431
O=NN(c1ccccc1)COC(=O)C,0.8270791401022383
CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.8595668260553962
NC1CC(C)(C)N(C(C1)(C)C)O,0.1378385933274298
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.8801534367164534
Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7275858955537815
O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.06775805083382999
CC(OC(=O)CC(=O)OC(C)C)C,0.1605841132269433
COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.05269841229005413
BrCCCCCBr,0.5412335542388371
OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.3636760120284178
[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9124529236229415
CN(C#N)C,0.7020287822947144
c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.9621277604018913
CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.7842380737861402
Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.551155568650819
CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.3013541538387685
BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9424401101735951
CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.5958111794164089
CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.08616389917754896
Cc1cccc2c1c1cc3ccccc3cc1cc2,0.9108943155253793
OC(=O)CCP(=O)(O)C,0.09283597420094382
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.3807054588716642
CC1=Nc2c(C1(C)C)cccc2,0.35320939885724517
CNc1c(C)cc2c(c1N)cccn2,0.8100399559349806
Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.8667132971319897
O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.6253959006551607
BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.6564277476155637
O=C1c2ccccc2-c2c1c1ccccc1cc2,0.7294251828802303
COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.19840124217818997
OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.951026137681652
O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.793708106089582
Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9039437506297845
[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9726426335132002
[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.6025538283711852
CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.0807354546352199
Cc1ccc2c(c1)nccc2,0.35796670567251343
C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.7809182083036178
COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9192223204520097
O=Cc1cccc(c1)[N+](=O)[O-],0.9143370240803392
CCN(C(=S)SCC(=C)Cl)CC,0.38603317189934216
CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.3923206296363763
COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.8902527758898607
CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.33656223386274164
CN(C(=O)Cl)C,0.7765093148056273
c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.05627763153127457
Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.06759248779584506
[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.7265857023323248
O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.9598360652391729
ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.41345303200287875
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9403550531209625
Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.3528368357487882
CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.10192243525538319
CC(=O)/C=C\c1ccccc1,0.2633175710351827
C/C(=N/O)/C(=O)C,0.40045586573943664
CCNc1nc(NC(C)C)nc(n1)Cl,0.119412033126089
CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.32097962727574797
OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8050675096322821
O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.8490288657645091
CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.3358075274770272
CCCCOCCOCCOCCCC,0.24046963258254467
COC(=O)C(Cc1ccc(cc1)Cl)N,0.17284700527264368
CCC/C=C/C=O,0.5427842432678847
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.9105494131694637
CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.02460099559771199
CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8273865522772015
CCNS(=O)(=O)c1ccccc1C,0.3113118933721856
[O-][N+](=O)c1cccc(c1C)C,0.48936671099265794
ONC(=O)c1ccccc1O,0.47243626246261955
CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.8603649361492361
Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9150996022745349
[O-][N+](=O)c1scc(c1)C(=O)N,0.9164045959867995
CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.08232394002981547
CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.1296760692649192
CN(CCOC(=O)C(=C)C)C,0.5277982900578455
O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.5578450450058747
[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9147101541133306
OC1C=Cc2c(C1O)ccc1c2cccn1,0.7435514636889018
Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9748518803775578
Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.5836579615964768
O=c1[nH]ncc2c1cccc2,0.4759903581291146
CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.9094964039038961
Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9057132877708354
O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.5393744436576914
O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.7609101989924345
CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.6929462824814229
Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7895009589809897
C=C1CCC2CC1C2(C)C,0.022156188353087095
CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.24122518170443788
COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.9353726818016297
O[C@@H]1OC(=O)C=C1CCl,0.8408257363286997
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.16537568402874628
C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.014290741623535627
CC(CN1CC(OC1=O)C)O,0.2867334558976646
OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.154537479006618
CCCCC(=C)C=O,0.2876107386298514
C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5627361159039448
O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.27459113105110966
O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.5962669285425428
CC(=O)Oc1cccc2c1nccc2,0.36547059909821106
ClCc1c2ccccc2c(c2c1cccc2)Cl,0.9610205811131721
CCC[C@H]([C@H](CO)CC)O,0.014366110809301766
[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.6646609284990451
[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9445531617984125
OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.4492919696093458
CN(/N=N/c1[nH]cnc1C(=O)N)C,0.367585844085485
O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9506352528931536
CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.6659825717454587
CCC(=O)C=C,0.18058060303084325
Cc1ccc(cc1)c1nc2c(o1)cccc2,0.5560171999735697
CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.30610299484056364
CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.7372123961765457
CCCCCCCCCCCCCC=C,0.07096530645802224
COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.1929264935875156
Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.8258579835858445
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.07843646562765959
N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.8757163805670151
[O-][N+](=O)c1ccc(c(c1)N)N,0.9251905563667755
[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9834714515613184
O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.23533412399197873
O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8707831212036746
OCc1ccc(cc1)NNC(=O)C,0.24132118866069507
ClCC(=O)N(c1snc2c1cccc2)C,0.6922029834254421
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.12434706193848204
O(CC1OC1)CCOCC1OC1,0.824791781166178
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.8434461028979069
[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9307166141620871
COc1nsc2c1ccc(c2)OCC1CO1,0.9425942970005161
CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.07007014831029848
OC(=O)CNCP(=O)(O)O,0.18554369815987357
OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.2987695527866528
CNC(=O)N(c1ccccc1)c1ccccc1,0.15499541761285932
NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.027700871292735598
[N-]=[N+]=NCCc1ccccc1,0.8469356215315114
CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.03091279066875173
Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.7637142690069558
O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.21079400271666102
ClCCC(=O)N(c1snc2c1cccc2)CC,0.6262261531145971
N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.5816345178508702
OC(=O)c1ccc(cc1)Cl,0.13009352772859734
C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.015661984586430498
CN(C1Cc2cccc3c2c(C1)ccc3)C,0.4637783292803623
COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.14219211729628076
ONc1ccc(c(c1)[N+](=O)[O-])C,0.90795758609632
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8663853970570726
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.8843617250827536
CN1CCC(=CC1)c1ccccc1,0.2738750049596833
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.39876645783103987
COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.07337286977397002
OCc1occ(c(=O)c1)O,0.4469567924853019
Cc1cccc2c1-c1ccccc1[C@@H]2C,0.5731963273178482
CCCCCOC(=O)C(=C)C,0.2248410855586556
OC(CN=N#N)CN=N#N,0.9449365546773946
O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.21263549163728496
Fc1ccc2c(c1)sc(n2)O,0.31080278977754183
Cc1ccco1,0.30320050977167917
OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.8518735817175783
C[C@H](CCl)O,0.5626993481898557
CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.039029704412846644
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8068072340565773
OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.16076150325009164
CCC=O,0.356867979623303
O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.26126315092101215
CC(OC(=O)C)C,0.1332845933904627
O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.766774655014499
Cc1ccnc2c1cccc2,0.4244827820618121
Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.5497433411727348
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.29492979015683785
Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.5712181158058728
CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.2250763189834961
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.32519721241852234
Oc1nncc2c1cccc2,0.3733082396701919
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.34939238229464836
C=CCCC1CO1,0.8896196601605322
OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.3648735842597579
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.19191347372849774
[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.8741093065396955
O=C1COC(=C1O)C,0.41142466577158854
NC(=N)N,0.41384230717211923
C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8125348410868325
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.16020997266875134
N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9743853663762858
COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.7675260335654046
CCCCOO,0.43275668096403186
CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.857016636873178
Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.704831537895316
COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.35920005849737247
COc1cccc2c1nc(s2)N,0.726668474148037
Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9564647374148673
CCCCCCCCCCCC(=O)O,0.0355539092383144
CC1=CC2CCCCC2c2c1cccc2,0.6070440331752953
OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.6049706719287703
Oc1ncc(cc1N)c1ccncc1,0.6116165793967809
COc1ccn(c(=O)n1)CC(CN=N#N)O,0.8641942341364466
CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.6855239136050637
CCCCC(CCCC)(CCC)S,0.02833944397963405
CN(c1ccccc1)C,0.5919132690474298
CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.2524824367897209
Nc1ncnc2c1ncn2Cc1ccccc1,0.5930259626881857
NC(=O)c1cccnc1,0.21653923997751215
N#Cc1ccc2c(c1)nc(n2C)N,0.692808333451414
OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.02566970640993766
c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.7613396232690711
CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.8888039595350636
CCOc1ccc(cc1N)NC(=O)C,0.48951349936309024
Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.6728383905969997
O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.5178930713407848
CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.8207833858732256
Clc1ccc(c(c1)Cl)O,0.21660816894781212
CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.3903971095548572
C/C=C\C=C,0.27276032929903704
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.07933986205937209
CCN(c1ccccc1)Cc1ccccc1,0.5987398133751911
Nc1ccc(cc1)N.Cl.Cl,0.4858501155041101
O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9145321656106058
C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.9574932361270687
OC(CO)CN=N#N,0.9661402130292314
CNC(=O)ON(C(=O)NC)C(=O)NC,0.6716198899429353
COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.5422670332210439
CCOc1ccccc1[N+](=O)[O-],0.694805768020364
OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.25247638826486957
[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.11827626885971339
CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.05151701251072974
BrC[C@H]1CO1,0.9811501865574007
CCCON(C(=O)c1ccccc1)OC(=O)C,0.6553530533617419
COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.47106379783723135
Nc1ccc(c(c1)N)[N+](=O)[O-],0.8532226590172045
Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.015594437458321852
Clc1cccc2c1cc1ccccc1c2,0.8777271948930325
COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.7093601910872696
CN1CCN=N1,0.8570857621956781
Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.10848785903128941
O=NN(C(=O)N)CCCC(=O)O,0.7123302743288967
Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7687331621800324
CCOS(=O)(=O)c1ccc(cc1)C,0.22527756584854416
OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.05086497079998439
Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5128032404742684
O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.8753219176200666
O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7446375150976307
CCCC(=O)OCCC(C)C,0.16379501828465562
O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.5767803919246834
c1ccc(cc1)Cn1cncc1,0.5111534829853216
CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.20740635248102426
ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.4871217865845651
COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8800280264181236
Nc1ccccn1,0.35053842285944514
OCCc1ccc(cc1)N(C)C,0.1362340312558347
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9839230349907327
CCCCCCC1OC1,0.5683047706258085
COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.2801924779925871
c1ccc(cc1)[Se][Se]c1ccccc1,0.08613122505916977
COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.7758437281175677
CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.2826099085543931
CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.05818422470337354
COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.3814535902546571
OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.16085612443146965
CCCCC,0.05613527227554332
CCSCSP(=S)(OCC)OCC,0.44167671091740407
CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.05232274406670147
Oc1cccc2c1OC(C2O)(C)C,0.2956960590178924
Cc1ccc2c(c1)cccc2,0.5221823888738325
CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.14525818591440048
O=NN1CCC[C@@H]1c1cccnc1,0.304695715267542
CCCCCN(CCCC)N=O,0.8010619221984485
N/N=c/1\sc2c(n1C)cccc2.Cl,0.696098372539431
CC/N=[N+](/CC)\[O-],0.562073103252313
CCCCN(CCC(=O)O)N=O,0.5784321265663469
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.978451083864855
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8068072340565773
Cc1cscc1,0.23596933772681594
OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.7296619019636532
Clc1cnc2c(c1C)cccc2,0.5994596143937886
OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.90217854427008
CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.1914621938198063
CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.3670417351854996
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.07037467478487903
O=Cc1ccc(o1)[N+](=O)[O-],0.9301161726377433
[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.7954427723915399
O=C1NC(=O)C(=C1Cl)Cl,0.6493661220574923
O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.8215048865009399
Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.8895574413222884
Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8472520732277296
OCCN(N=O)CC,0.8516512391872292
CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.8929479274473067
Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9332423740692548
O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.39365052587460647
C/C(=N/O)/CC,0.3126704600629197
ClCC[N+](CCCl)(C)[O-],0.32897886396015386
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.10000859376408204
OC(=O)CCCc1c[nH]c2c1cccc2,0.08057417108088927
C/C=C/c1ccc(c(c1)OC)O,0.4362511668490096
Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.9667809405555564
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9609229624968956
OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.4087700294908625
NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.6581801803894942
COc1nsc2c1cccc2OCC1CO1,0.9206583301130494
CCOC(=O)C(Br)C,0.5501329428427666
[O-][n+]1ncc2c(c1)ccnc2,0.508830058566679
CC(=C)C(=O)OCC(C)(C)C,0.13878651475827752
OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.08909995245327748
CCCCC1CO1,0.6919703427731083
Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.26784572952430824
COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7346192525456774
OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6142546084156557
Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.3545147786003744
CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.2249680348778429
Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.36683049214166763
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.12651422008609675
O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.19045483258483106
Nc1ccc2c(c1)nc(c(n2)C)C,0.6693779942078534
Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.8387587654248037
OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.07822689240672168
[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9852498175423331
CCCSP(=O)(SCCC)OCC,0.22065729554932328
O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.23986851060422557
Nc1ccc2c(n1)[nH]c1c2cccc1,0.8966319430215708
O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.48668313350891484
CCCCCN(CCCCO)N=O,0.8036108503359614
O=NN(CCN(C)C)C,0.8688053935096849
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.688302859267579
N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9379393934425686
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.17114966041782645
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.2024912612009289
ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.24502995847526102
Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6803783974243036
COP(=O)(N1CCOCC1)OC,0.42792219385467783
NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.7747106102872542
OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.385326675507583
SC[C@@H](C(=O)O)NC(=O)C,0.22634683216324372
Nc1ccc(c(c1)Cl)Cl,0.7069362227181604
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.29661788980342524
CCCCCCc1ccc(cc1O)O,0.06565031344143642
CCOc1snc(n1)C(Cl)(Cl)Cl,0.08348645534655295
O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.3940215331441409
CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.11835682988391828
CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.8313406145179788
c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.844656642486626
Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9512586553493655
O=CC(=O)c1ccccc1,0.378595814632163
OCCNc1ccc(cc1[N+](=O)[O-])N,0.928897274356907
COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.9339210697812573
CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7842380737861402
Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.8482932188356375
CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8790853265419948
OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.2008611458587804
ClC(=O)CCc1ccccc1,0.2493299253841203
OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.21449573812461029
Cc1c(N)c(C)c(c(c1C)N)C,0.3492439105910043
CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8236614000681214
Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9748518803775578
OC(=O)c1cccc(c1)[N+](=O)[O-],0.7174420185222856
CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.9068845041106788
c1ccc(cc1)/C=C/c1ccccc1,0.27477818500135703
CCC(C)C,0.07157819616685263
OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.02798353889753551
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9869464240596529
S=C=Nc1cccc2c1cccc2,0.517675696785404
CCOC(=O)C(=C)C,0.2939005967528254
O=CC(C)C,0.4487118426772702
CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9310413587954518
ClC(c1ccccc1)(Cl)Cl,0.38866740419728074
Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.872480009850915
c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.7862837301826111
CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.036643747747895514
CCN(c1ccccc1)CC,0.29931363670614275
O/N=C(/c1ccccc1)\N,0.5185693427722956
Nc1cccc2c1cccn2,0.6060070131900985
c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9819124767507189
N#Cc1cccc2c1cccc2[N+](=O)[O-],0.829528933157646
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9883428458786603
CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.34977566222121037
Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.32581269173318456
Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.8737694113712011
NC(=O)c1c(Cl)cccc1Cl,0.2787942193479046
O=C(Nc1ccc(cc1)C)CC(=O)C,0.16636164026148786
COc1ccccc1[N+](=O)[O-],0.6824199321034309
OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.8531375234650223
c1ccc(nc1)c1cccc(n1)c1ccccn1,0.25747076525841994
Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.8429816363784562
CC(=C)C(=O)O,0.07715872442819383
CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.8448118568720854
CC(Cl)Cl,0.40445324045468894
ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9714090072305432
Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9763248769681814
COP(=O)(O)O,0.09599217767321733
NC(=O)NO,0.7150364197839122
O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9610481393697019
CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.7474878080346239
C=CCc1cc(OC)c2c(c1)OCO2,0.3352796242953386
C/C=C/C=C/C=O,0.6389513885382554
O=C=Nc1cccc2c1cccc2N=C=O,0.7295144957587092
O=C1C=CC(=O)O1,0.3364698537368755
O=NN(CC(=O)C)COC(=O)C,0.8687905123285714
Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9751071240531283
CC(NCC(c1ccc(c(c1)O)O)O)C,0.46285536538600325
[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.8925784339048158
CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.6560521419452402
c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.920370502970232
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9481289874808697
C=CC=O,0.5676747000253761
O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.10084198787323342
Clc1cc(Cl)c2c(c1O)nccc2,0.5393395790539576
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.7798543421791211
CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.008080336411429969
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.5162894049497483
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.0530407244168816
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.10334490305598977
Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5490333403244211
O=C(Cc1ccccc1)OCc1ccccc1,0.1517767152927071
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.07936597123024662
ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.8113043375393978
CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.026635701216564923
O=C1C=CC(=O)C(=C1)C(C)(C)C,0.19964636583017134
CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.5324651560850999
N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.255792227848791
ClC[C@H](O[C@@H](CCl)C)C,0.3521199992279833
[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9762159725096615
O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.06395001671194134
ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.17142675263456666
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.3968071960058515
OCC(C1OC(=O)C(=C1O)O)O,0.32737173838203243
C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.08748465338644491
Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.954756718079226
CCCCN(C[C@@H](CCO)O)N=O,0.5518230579056873
O=N#Cc1cc(C)cc(c1)C#N=O,0.20271216516068744
CCN(c1ccccc1)N,0.7104085460134928
O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.6630469701743702
[O-][N+](=O)c1cccc2c1snc2Cl,0.9266127643257305
CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.35517919898994793
O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.3113781665685851
c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.6737114176980192
O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.12443470456083351
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.6595405916411189
ClC(C(Cl)Cl)Cl,0.5850159221667239
Cc1cccc(c1N)C,0.5988400951624183
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9692812860516675
COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.24693388777739553
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.6725649123199566
Cc1ncc(nc1)C,0.04584752536621864
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.07653410847390843
OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8412740786128431
COCCc1ccc(cc1)OCC(CNC(C)C)O,0.06320759201112017
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5362113311036716
c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.8329746865912282
CC(=O)OCc1ccccc1[N+](=O)[O-],0.8424779913519949
[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.007746311336087894
Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.10837965212799529
Cc1cccc(c1N)C,0.5988400951624183
Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9403842393237992
CCOO,0.467919953353384
O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9326931517132757
CCOC(=O)c1ccccc1N,0.33816238152522704
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9860830401905697
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9773713855657834
O=Cc1ccccc1O,0.19598864355327222
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.080011131423751
COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.6735282833738876
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9664068751686923
c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.8330124047614617
CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.046255851705544936
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.10306622034271248
CN(C(=O)OCC)N=O,0.9608613213251898
OC(=O)[C@@H](CCl)Cl,0.6719670881532896
C=COc1ccc(cc1)[N+](=O)[O-],0.7396340944437816
CNC(=O)O/N=C/C(SC)(C)C,0.41270706984619987
C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.08616389917754896
O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.5427232071349348
CC(COS(=O)(=O)C)C,0.3587807987493133
C[C@@]1(CO1)C=C,0.757126007049454
Nc1cc2ccccc2cc1N,0.854981192910302
Brc1cccc(c1)c1ccccc1,0.27810754763374584
CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.1853374999584281
OC(=O)CC(C(=O)O)N,0.12524085910195606
OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.6386097907553149
CC(COC(=O)C=C)O,0.2586756200878493
O=C1c2ccccc2Cc2c1cccc2,0.5565203993772333
O1CCOCCOCCOCCOCCOCCOCC1,0.208390003877545
CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.01483593180410759
O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.2625190601917742
CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.3067829007296818
CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.005990956424256514
NCC(C)C,0.12097230041283255
CCCCCCCCCCCCc1ccccc1,0.046321488739582944
OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.35497039955212506
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.3184027945934382
Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8760522525009429
NN(C(=O)C)C(=O)C,0.4932421827662431
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8412740786128431
OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.7503141307859511
COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.3870220205951769
CC(=C)c1ccccc1,0.15631444902484445
OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.1333524968718007
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.7807138023343339
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9692652555515675
COc1cccc(c1)/C=C/c1ccc(cc1)N,0.7300535250785521
CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9152345996333635
CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.37937870976583926
O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8171708591995964
CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.6030941558099974
ClCC=CCCl,0.867499623487701
Nc1c(C)cccc1N,0.8081328618289073
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.16024949477023892
CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.3118883010395025
COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7982440251172135
S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6092698571374265
[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.3854604812150158
Nc1[nH]cc2-c(n1)ncn2,0.4527328318876653
C=C[Si](Cl)(Cl)C,0.11678346508727398
CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.1067898265170027
Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6836390927119236
C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.02989202232178239
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.9603164859436595
[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.7476399818763232
CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.8188709078632861
NC(=O)C=C,0.3055454773528219
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.6969954632919063
Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.7792932433240934
OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.23214961714486826
[O-][N+](=O)/C=C/c1ccco1,0.5858191316347618
ClCC(=O)c1ccc(cc1Cl)Cl,0.4949718913055105
O=NN(CC(=O)COC(=O)C)C,0.8781488293780346
CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.7539615299085336
ClC(=C1OC(=O)C(=C1)Cl)Cl,0.666699999714262
O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.3519351208955793
COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.27722224607471174
COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8610133919915123
ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9324565877437836
[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.970475042483412
C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.6976274475298777
O=C1CCc2c1ccc1c2ccc2c1cccc2,0.5681284223995937
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.6708370112880108
Clc1ccc2c(c1)c(N)sn2,0.7274275234200299
N#N=Nc1nc2c(n1C)cccc2,0.9558451336179739
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.38981151177501716
C=CS(=O)(=O)C,0.11470069503422176
ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.1844025097414377
CCO[Si](OCC)(OCC)C,0.03340149746682347
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9870285962671869
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.23078050023243527
OCc1c(CO)cnc(c1O)C.Cl,0.11028997575275379
CC(C(=O)O)Cl,0.3898122074508606
CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.15556422750222393
Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.9212044672174103
Cc1nccc2c1[nH]c1c2cccc1,0.6205095028079572
O=C1CCc2c(O1)cccc2,0.17124819287199136
BrCC(=O)N(Cc1ccccc1)C,0.7910880870589714
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.3012089483859553
Nn1nnc2-c(c1O)nc1c2cccc1,0.8659313122878194
COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.5128222865287272
ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.01767195386008014
OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.3309140922276029
ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.6786126676434927
CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8416838096246069
CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.7463591252440454
CCCN(CCC)CCC,0.12548849067147536
c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9546520882101384
CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7342853822929536
O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9117846880174781
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.6280214423720801
CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.7010665313280523
OC(=O)[C@H](O)C,0.12688440762458128
ClC(=O)c1ccc(cc1)C(=O)Cl,0.2755248680948992
COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.14672122331276433
ClC(=O)c1ccccc1F,0.12746649886226263
CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.8572863285953406
CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.18579588415365014
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.8053754235219298
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.6362627656681293
CNC=O,0.6279725993769529
OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.38952466139523845
[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.9352730761053069
ClCC(C(Br)(C)C)Br,0.2981273375655793
COC(=O)c1ccc(cc1)C=O,0.17392276300966664
ClC1=CC(=O)C(C1=O)(Cl)Cl,0.7143970105128954
C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.6888381375648044
ClNc1nc(NCl)nc(n1)NCl,0.22291539880928699
CN(c1[nH]cnc2-c1ncn2)C,0.3926724381156364
C[C@H]([C@@H](CBr)Br)Cl,0.8336414423800503
O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.8448507472084404
CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9899750661058067
COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.3790660628586174
NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.939900776086928
O=c1cn[nH]c(=O)[nH]1,0.18771143560806625
CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.01916862511250368
CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.2765984586418251
O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.11803162496605882
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.24558541312054002
CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.7034779420276948
OC(=O)CCl,0.540746949465032
CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.13175230012334938
CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.1195041934860063
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.3102032996530863
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8957444054723239
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.012539428761518
C[C@H](C=O)CC,0.25424323701646884
ICCc1ccccc1,0.426343364334055
Cc1c(NC)ccc2c1nccn2,0.6651621193320766
NC1CCCCC1,0.08093802776458758
Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9413320580061528
ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.757905819721273
O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.03018111323884779
ClC(C[C@@H]1OC1)(Cl)Cl,0.8420074572306392
Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9428720603874531
Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.8050928687249211
Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.8476607738723647
Nc1cc(Cl)cc(c1)Cl,0.40189975720370813
O/N=C/C1N(CCCN(C)C)C=CN1C,0.7482487893928303
COC(=O)c1sccc1S(=O)(=O)N,0.20396323511573075
ONc1ccc(cc1)[N+](=O)[O-],0.7823733172004629
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.41902231967859116
NC(=O)Nc1ccc(cc1)C,0.5576762455948435
OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.6109090405102527
OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.17831955300800226
BrCC(=O)c1ccc(cc1)Br,0.3245166734574438
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.9020551350054534
CCN=NO,0.8169622712245109
O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.7961824047347249
C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.48382227987967436
c1ccc2c(c1)ccc1c2nccc1,0.84371244818749
CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.0423257154745705
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.16377236932190162
O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.2046218899597539
CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.4775431609705807
CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.5455113848439896
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.2555032108010708
CCCCOP(=O)(OCCCC)OCCCC,0.25342127007029014
OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.9331061104102537
CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.6688837313211331
COc1nsc2c1cccc2OC[C@H]1CO1,0.9206583301130494
c1ccc2c(c1)nc1c(c2)cccc1,0.7654891141646254
OC1C2OC2c2c(C1O)c1cccnc1cc2,0.7863985449561778
Fc1ccc(c(c1)[N+](=O)[O-])F,0.31067519958094925
OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.11945109717271885
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.858192973916616
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.831661739861286
O=C1NCNC(=O)N1,0.0530441932417783
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9424933251453811
NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.23702654279303942
OCCOCCOCC,0.21024383474956948
O=C/C=C/c1ccc(cc1)N(C)C,0.6164717810255264
Oc1ccc(cc1)C(=O)O,0.06810568893801093
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.13752673709845192
C/C(=N\O)/CC,0.3126704600629197
OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9714251690721469
CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.1951001154846099
O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9596051138913901
CCC(=O)C(=O)CC,0.0991161121245226
C1CCCC1,0.049557762074249515
Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.5939789418510095
Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.3699478062426758
COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.1477424603251358
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.15598163482232147
c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.8395365287852554
CC1=C(C)C(=O)C(=C(C1=O)C)C,0.1944028928061747
CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.020572965961181616
Cl[C@@H](C(F)(F)F)Br,0.21406834477270734
Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.5225950173918097
CCCCCCCCCCCCCC(=O)O,0.0264608052514988
c1ccc2c(c1)Oc1c(O2)cccc1,0.4931170547055637
OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.10547043293927116
CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8694115942242592
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.2899883972256559
Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.9148616179721668
Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9592866335565399
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.38321251396886474
NNc1nncc2c1nccc2,0.8581264259853689
Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.6208523222359177
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.3085239806531785
c1cc2ccc3c4c2c(c1)ccc4cnc3,0.9236548677652645
O=C1C=CC(=O)C(=C1)Cl,0.6402341479087477
Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.4728510536149537
OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.07510165293935268
N#CCC[C@](C#N)(CBr)Br,0.6368012971381829
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.5043585182038973
C=CCOC[C@H]1CO1,0.9372340332989295
O=c1nc[nH]c2c1cccc2,0.23979683786679623
COC(=O)CCC(=O)OC,0.29035832514987137
OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.015366745719910596
NC(=O)NCC(=O)O,0.612164888805702
N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7429525457591313
Clc1ccc(c(c1)[N+](=O)[O-])N,0.7883235721047127
CC1=NNC(=O)N(C1)N,0.7276390911672358
Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.891394040316028
BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9494586765992155
Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.1462126529155804
Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.9053313727109068
Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.711068189549712
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.1421073219187024
OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.06031935593192515
CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8610925256785534
CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.11853374850695625
COc1nsc2c1c(ccc2)[N+](=O)[O-],0.7330720484473368
c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.920370502970232
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.30336617630682294
Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.7587576003384442
CNC(=O)Oc1ccccc1OC(C)C,0.27602081872569845
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.03272991410483834
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.7827743967964277
COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.19506752498507884
O=C1CC=C(O1)C,0.14832872200388497
CCCCC=C,0.05762646484647692
COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.22740771965033454
OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.019326346558934674
c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8498072541829789
Clc1ccc2c(c1)cccc2,0.6044060576504914
N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.5434791773822188
COc1ccc(cc1)N,0.4295991257760985
CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.44194987768249006
c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9184409711951622
[O-][N+](=O)c1ccc(c(c1)N)O,0.8403724279810115
CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.2972293500483534
CCCCN(CCCC)CCCC,0.11614292288849389
ClCc1ccc(cc1)Br,0.5525049535203366
CN(N=O)C[C@H](O)C,0.9326118899689375
COP(=S)(SCC(=O)N(C=O)C)OC,0.668996658676699
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.0988531077373079
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.11086674542669034
Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.7761865839704081
CCCCCCC(=O)OCC,0.13074192238556004
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.2649564066393785
NC(C(=O)O)CS/C=C/Cl,0.7486319129830571
ClCN1C(=O)c2c(C1=O)cccc2,0.6528479560536793
COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.815581092402828
c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.5261780899292285
COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.6609518964783132
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.3568932222238558
Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.823543019350301
c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9545476984391443
CCCCN(CC[C@H](O)C)N=O,0.7777378452547973
ONC(=O)c1ccccc1,0.3118346036521795
OC(=O)c1cc(O)c2c(n1)cccc2,0.38104776090507086
[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.8558570807272217
Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.8914465761112907
Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.7025842591914048
CCN1CCN=N1,0.9445866435120431
O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.8871354900546364
Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7284594756745636
CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7766652038845804
BrC(C=O)CBr,0.9727906544279148
Nc1nc(O)c2c(n1)nn[nH]2,0.32056296838101006
OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.17292065303143206
C[N+](Cc1ccccc1)(C)C,0.025916911721226468
N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.12176068160830082
[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.5028958847661034
OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9407333663582977
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.4844414965815872
c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8558225882273736
C/C=C\c1cc(OC)c(cc1OC)OC,0.42500323066430623
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9480192817800718
OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8551137645003918
CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.8188905298147781
CCC(OC)(C)C,0.06657906626042497
Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9315785151344265
CCSC(=O)Cl,0.44418772742968715
C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.6343304678214576
Clc1ccc(c(c1)N)O,0.5890912870149425
OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.9224407727993912
Nc1nc2c(s1)cccc2,0.6695979366995337
O=NN1CC(=O)NC1=O,0.7563474158515363
CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.6036117593841761
CCCN(C(=O)N)N=O,0.8901425562390517
CC(CC(C)(C)C)(CC(C)(C)C)S,0.010659192009640812
CC(=S)N,0.6196734863648343
OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.016496605487054353
OCCCN(N=O)CC,0.8495761182204572
Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.927130711622403
[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.5757585062649019
N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.5282294375902941
Clc1ccccc1C(F)(F)F,0.16572386841271097
COCCOCCOCCOC,0.3283077064959045
Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9469068990828582
N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9828597035803749
BrCCC(CCBr)(CO)CO,0.8412638425978509
CC(Nc1nc(N)nc(n1)Cl)C,0.23242098109787163
Nc1cccc(c1)c1ccccc1,0.586044448671913
ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5361892241028197
OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.6155712642478214
COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.9235305012361026
CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.818707644666054
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.15045614894606008
NC(=O)c1ccccc1C(=O)N,0.3358059449430436
O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.600178775943106
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.20251734543876687
O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.37320415980932353
C=Cc1cccnc1,0.22767247820222644
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6846356591044318
[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9838750349728005
OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.2331991575586475
O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.7345002688444786
CCCCc1cc(C)cc(c1O)CCCC,0.04401541866319395
OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.1970165400816329
COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.025144076600759912
CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.15455337043453082
Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8729437884825202
Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.12990464692315742
Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.5645803797624946
O=C1CCC(N1C)c1cccnc1,0.1156863999110619
Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8885997622495078
CC(=O)Nc1ccc(cc1)O,0.34206982860452445
Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.8489664299312372
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.8913174936777581
CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.4367457869687395
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)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.29542182386936844
[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9484291078155297
O=c1[nH][nH]c2c1cccc2,0.2211976461335126
CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.025263662266773703
C[Si](O)(C)C,0.03442874758362632
C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.2864957422910345
Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.959350520885477
Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.865447472501133
[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.8986711130172675
O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.735630169101703
COc1ccc(cc1)CCC1OC1,0.8481916109692186
CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.4819703160343702
OCC(Cc1ccccc1)CN=N#N,0.9106675095205229
CCOc1ccc(cc1)[N+](=O)[O-],0.7038588468168734
Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.959024219955246
C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.014321987748206456
O=C1c2cc3ccccc3cc2-c2c1cccc2,0.6434414723045926
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.07242337161627772
[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.8205605633487819
CCCCNCC,0.08821908402736053
[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.8581616764050842
O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.9942132392115393
CN(c1nc2c(n1C)ccc1c2cccn1)C,0.9095474480944058
CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.1142323374452083
OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.9354534259580893
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.02969950071834484
Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6799246372467046
CCCCCCCCOc1ccc(cc1)C(=O)O,0.03015220572013157
Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.8149854613712118
COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.904522414776314
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.08203771234827482
Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9645816234615665
N1CCNCC1,0.09902260041400977
CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.006149894937072047
COc1cccc2c1C1(C)OOC1(O2)C,0.2998360180375758
CC1(CO1)C(=O)N,0.7908385539211207
Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.6322664469306332
CSc1cc(SC)c(c(c1N)C)N,0.2049723631939078
OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.34056931383375144
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.009690503372059367
c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8915543660750371
ClCC(Cl)(Cl)Cl,0.34284552560337406
O=C1NS(=O)(=O)Cc2c1cccc2,0.1458901100324138
CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9763262705245129
CC(=O)CCl,0.856194076636037
COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.06706869105240405
Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.12330103117550319
c1ccc2c(c1)cnnc2,0.5374959682371522
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.49322644821752487
CCN(N=O)C=O,0.9212713536253009
OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.055103268993248467
O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.5309757399788351
O=C([C@@H]1OC1)Nc1ccccc1,0.8332283450839375
[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.961846071278093
Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.1321490238083067
COc1ccc(cc1)C[C@@H]1OC1,0.7391567524329866
Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8200549810627478
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.6892194743467436
[O-][N+](=O)c1ccc(o1)C(=O)OC,0.8048497280950153
ONc1ccc2c(n1)n1cccc(c1n2)C,0.8520380525376683
COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.9136221815540462
Oc1cc(O)c2c(n1)cccc2,0.362099940645471
OCNC(=O)NCO,0.10017372838394109
Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8098715927851791
CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.2403799838576917
CNC[C@@H](c1ccc(c(c1)O)O)O,0.41356625260948693
Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.21723631566359156
C[C@@]1(CO1)[C@H]1CO1,0.8439120789822727
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.7693281536330657
FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.37978202019527296
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7830025572148069
O=NN(CC(=O)C)C[C@H](O)C,0.8060063256791375
Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.7850521369226173
[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9867027517742801
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.05784964201706913
Oc1cccc(c1)Nc1ccccc1,0.2692031885285031
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.047701187974419634
NCC(=O)O.Cl,0.10224462511719157
COc1c2oc(=O)ccc2cc2c1occ2,0.653942960247679
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.8948959473870711
ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.972394718881581
[O-][N+](=O)C(C(O)C)C,0.7128017535673341
COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.3380988107348017
Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.9381028651831668
CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.16827413339543537
[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.8210042346643426
CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8126461564260297
CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.42526790954290344
ON1C(C)(C)CC(C1(C)C)C(=O)N,0.35354141260434596
O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8353829562739135
Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.8440966698905468
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.8038907047808108
C/C=C\C=C/C(=O)O,0.2865437672636616
ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.12511628075782355
OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.5215608223120861
c1ccc2c(c1)scn2,0.47563045468963966
CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.8250899148267291
C([C@@H]1OC1)C[C@@H]1OC1,0.7669017760357064
CCCC=O,0.21057501918915858
OC1CC(C)(C)N(C(C1)(C)C)O,0.2545972054943149
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.010358108085935543
COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.07868789169850221
OC(=O)COc1ccc2c(c1)cccc2,0.17135902199612482
Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8190021260973258
Nc1ccccc1Cl,0.5387873790070327
CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.0064468036203904735
N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.14326899774084498
CNC(=O)N(C(=O)C)O,0.46842868918825104
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7451672037650244
O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.7503047352141885
OCNC(=O)c1ccc(cc1)Cl,0.11675948863316006
CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5188608582383315
NCCc1c[nH]c2c1cc(O)cc2,0.5900084559273667
c1ccc(cc1)Nc1ccccc1,0.5800648010248917
[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7031136516816695
ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.4799936687850651
COc1ccccc1C[C@H]1CO1,0.7351663524100326
Nc1ccnc2c1cccc2,0.656852281838621
CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.7263148567044916
COc1cc(N)c(cc1N)OC,0.4956083251241178
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.3470618165177777
C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.07495360996684507
COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.7014439483523521
COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.4824244262327771
Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.10060773924484162
NCCc1c[nH]c2c1cccc2.Cl,0.7670477985009454
COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.47933094632301476
Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.6033021635171053
Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.904419213714278
O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.8475145264174929
C[C@H]1CO1,0.509309908607852
Cl/C=C/CSCC(C(=O)O)N,0.8030532274559532
OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9182271754888167
O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8031968441757499
N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.4128547835017846
N#CCc1cn(c2c1cccc2)N=O,0.8787402013053206
O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.9544669154829357
CN(c1nc(C)c(c(n1)O)C)C,0.03549124020468503
OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.7409490761792047
OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9907081621098267
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.9051153028293052
OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.15317651659431683
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.05706385920400178
CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8990175168738876
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.7347050273896384
OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.15990299735104013
[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.9124972877843531
Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.1550159894202982
CCCCCCCCCC=C,0.06685453389682432
O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7656658421338777
CCOC(=O)CC(=O)CCl,0.6804216242114881
C=Cc1ccc(cc1)N,0.4199828148534752
OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.8224163987424027
[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.42554413018718895
Nc1ccccc1SCSc1ccccc1N,0.5940993774422286
CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.051250387599272744
CCC/C=C(\C=O)/CC,0.269584943098505
Oc1cccc(c1)Cl,0.15970311480611463
[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.907963913103903
O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.557883946700379
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.3907339329656205
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.8272753118984465
[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.8268455478777118
N#N=NCC(C(C(C(CO)O)O)O)O,0.922658787624683
O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.010783320286402364
CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.6991660774713931
Cc1cc(C)c(c(c1N)C)N,0.6263254366729928
CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.17357201628948737
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.12209812231611686
OC(=O)c1cccc(c1)C(=O)O,0.11712662026698333
COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.24068193696576734
O[C@H](C(=O)c1ccccc1)c1ccccc1,0.13295860175755828
C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.14284953562630862
OCCCCCCCCCCCCCCCCCC(=O)O,0.03161707421346111
NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4913448573646536
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9382180945264017
OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.6966218051822993
Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8907980263589981
COc1nncc2c1cccc2,0.3079345822899823
OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.04681332636003071
OC(=O)CC[C@@H](C(=O)O)N,0.14395017965984552
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.21046519103484182
CN1CCN(CC1)C,0.027708989723005548
NNc1nncc2c1cccc2,0.8675883645305009
OC(=O)c1cccc(c1Cl)Cl,0.12764556693953327
ClCC(=C)Br,0.6592368394177873
CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.42580820934660335
Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.6432997331058972
CCOc1ccccc1N,0.5727995164207001
[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.5977647294991509
OC(=O)Cc1c[nH]c2c1cccc2,0.14804241457449804
C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.16324257385332497
CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.09798418082062423
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.8827261129701773
Clc1nncc2c1cccn2,0.6470860211322788
Clc1ccc(c(c1)[N+](=O)[O-])C,0.5918051509142827
OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.021485191773767256
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9172971497926036
O=C([C@@H]1OC1)NCc1ccccc1,0.7606126847426595
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.33213618705307296
CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8090724131740638
Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.04832258485567471
OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.13604710396365438
CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.5538116976322425
O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.013573678589773016
C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.11784593208489148
O(Cc1cccc2c1cccc2)CC1CO1,0.9596833020410747
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.30913703195647185
COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.7136965632809081
O=CCC(C)C,0.14301311604632855
O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.7734344989079822
OC1C=CC=CC1O,0.2383256370433471
CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.14735075293117045
O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.13535601406223638
[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8222810770201802
CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.0274856884737936
COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7223372827184327
CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.11735016283715831
O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.045337442869643974
NCCCN(CC)CC,0.14051132485566006
Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.13423260636510104
Nc1nnc(s1)S,0.7201988810676093
[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9093891214542443
CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08705761405609211
BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.19006980185633338
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8425894740168102
Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8380575198632304
CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.7702645880798122
O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7531975367246702
OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8631979249455612
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.8796504000101691
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.2074474690348682
O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.5638147051568134
[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.8360325239531395
O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9845352530955224
O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9555944054837127
OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9500493155634335
Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.10290835408826862
Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.052845181126507976
Cc1cc(N)c(cc1N)C,0.5974807133755393
CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.6307618393119868
O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.7008885179540936
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.5710533358314205
CCc1cc(cc(c1N)CC)c1ccccc1,0.5070111253612974
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.8805853476557922
OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8702031980064261
OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.1384889337487488
OC(=O)/C=C/C=C/C(=O)O,0.30364408246023344
OCc1cccc(c1)Oc1ccccc1,0.37626666675572545
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3389637184223028
C1CC2=CC3C(C=C(C1)O2)O3,0.42182111839065356
ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9323327900778455
CCN(c1ccc(cc1)N)CC,0.7850941011861008
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.358313495044599
O1C[C@@H]1Cc1ccccc1,0.5904650407835854
CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6393649543622106
Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8845122701242415
Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.6706867057993551
Fc1c(N)cc(c(c1Cl)F)Cl,0.548471170801293
O=C1C=C(O)c2c(C1=O)cccc2,0.5770707047362632
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.9304880094771949
CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.043602280663915916
[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9021315813635215
[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8473715360944384
C=Cc1ccccn1,0.19432223760134432
CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.6919166642037319
NC(C(=O)O)CSC(C(Br)Br)(F)F,0.5890654972252028
Clc1cnc2c(c1)cccc2,0.5750872794991688
ClN1C(=O)N(C(C1=O)(C)C)Cl,0.5617662132014976
[O-][N+](=O)c1c(N)cccc1O,0.6815735496214829
Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9608986817858013
OC(=O)/C=C/C(=O)O,0.09743941356821018
[O-][N+](=O)c1ccc(c(c1)C)C,0.49588924526119266
ClC1=C(Cl)C(=O)OC1,0.8217826903549186
CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.06004928979290636
CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.13297806704588305
Oc1cc(Cl)c(c(c1)Cl)Cl,0.14839728368113586
OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.7568994836137097
CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.09656545371598464
Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8248683479429649
CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.5218066758941668
CC[C@H](N)C,0.11626786278923922
[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.8213849102281336
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.5957427978283363
COc1ccc(cc1)N.Cl,0.4295991257760985
CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.9286822643427194
CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.2653870244610682
Clc1ccc2c(c1)nc([nH]2)C,0.4353459833992444
OC1C(O)C=Cc2c1cccn2,0.22952660995973823
CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.7927725583549039
O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.015831285220406745
Clc1c(O)cc(c(c1Cl)Cl)Cl,0.13881991532099328
CC(CC(O)C)C,0.043775946993705746
OCCn1c(CO)ncc1[N+](=O)[O-],0.5954379772936031
Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.01952702960417686
FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.08527652225219019
O=C1C=CC(=[N+]=[N-])C=C1,0.7770273937773664
Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.855780545523275
O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.06129176398745267
c1ccc2c(c1)Sc1c(N2)cccc1,0.8506864733228587
Cc1cccc(c1O)C,0.17258975681343394
C=CCOC(=O)c1ccccc1N,0.3279705112447647
[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.7808798983993585
Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.6696312514519741
O=Nc1ccc(cc1)C(=O)C,0.8138946381085508
CN(CC(=O)O)C.Cl,0.04966530397190256
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6570938738895199
CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.3070025362137871
CCOC(=O)C[n+]1csc2c1cccc2,0.34423550634771766
CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.19711582276718195
O=C/C=C/c1ccco1,0.4760959022921619
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.07565753324125457
N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.0675772945349105
Fc1ccc2c(c1)c1ncccc1cc2,0.8343690279629085
Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9752039164928061
O=C1C(=O)c2c3c1cccc3ccc2,0.5094218569499113
ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.966587588062379
OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.32240633668150825
NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.1507866663110616
ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9753646724297855
CN(/C=N/c1ccc(cc1C)Cl)C,0.6816316644885976
O=C/C=C\c1ccccc1OC,0.4705133101214794
Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.7860878633309597
Nc1ccc(c(c1)C(F)(F)F)Cl,0.25055880665121305
Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.3919752647085053
O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.09824759607400743
CCCCCCCCCCCCCCCCCC(=O)N,0.05621600765762382
OC(=O)c1cc2ccccc2cc1O,0.3801563867354433
COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.7540048477772912
ClCC(CCl)(CCl)CCl,0.31003380393159335
CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.041453693817688306
Clc1cc(N)c(c(c1)C(=O)O)Cl,0.14602304429345006
O=C/C=C/c1ccccc1Cl,0.7264517134363297
CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.27874191195505543
Cc1ccccc1N,0.5267416602018643
CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.010654062945449431
O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.06652489340937551
OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6588197459927613
ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.979735406724539
O=NN(Cc1ccc(cc1)Cl)C,0.9020376929909444
OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.17484032949525657
CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.2880857834702629
CCN=[N+](C)[O-],0.5979935364425247
CCOS(=O)(=O)C,0.6187897378960127
NCCC(N)C,0.22496780627772844
OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.06653221178940824
Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.5106331160779618
C=CC(=O)OCCCCCCOC(=O)C=C,0.25737815212889664
OC(=O)Cc1ccccc1[N+](=O)[O-],0.4089523777675155
[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.7199579198042422
O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.9320267675137464
O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.7673221940965834
CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.4010401877150666
OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.6568765555402466
Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.1283858777549744
[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9599782383183092
CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.0911587111743092
O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.3127537998263278
c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.863471695287514
CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5188608582383315
Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.33166118836446523
c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9077512447657611
COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.25105262417028834
c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9522858481887637
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5829711118313026
Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8657876777416798
C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.00992992015841981
CN1CCNCC1,0.07436751352576626
C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.18611060603015314
C1CCC2C(C1)c1ccccc1CC2,0.3037826959555212
Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.0860931344607032
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9592739980989338
Nc1ccc(cc1C)NOS(=O)(=O)O,0.7986192407808921
O=S1(=O)OCCCO1,0.6772432681885794
NC(=O)CN1C[C@@H](CC1=O)O,0.4760926265145599
COC(=O)Nc1nc2c([nH]1)cccc2,0.1170689369979634
Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8415447629477253
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.10877817713174891
CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8107374935002122
CC(CN(CC(C)C)N)C,0.5280034597142222
OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9490012141994184
O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.705395448557776
Clc1ccc(cn1)Cl,0.10282608774309852
c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9168315693003037
Fc1cccnc1,0.12206210089357511
COc1cc(N)ccc1NC(=O)C,0.6192199343176247
Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.10476112545780751
OC(=O)CBr,0.6786555400811546
O=S1(=O)CC=CC1,0.5795677379340821
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.8473263931222517
O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.7093522695972995
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.14955943811666766
O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.21702434763820122
NC(C(=O)OC(C)(C)C)CN=N#N,0.8076523243151585
CCOC(=O)C1C(C1(C)C)C=C(C)C,0.15455337043453082
OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.3400497526311557
CC(C(CCl)Br)Br,0.706660583582617
CCCC(=C)C=O,0.2078260101223302
O=Nc1ccccc1C,0.7894026674398963
OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.371028930853817
[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.35213036832062033
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.11680646883833497
Oc1cc(Cl)cc(c1)Cl,0.03829040028301485
OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.1380006483444514
COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.13012963070795044
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.6041049987851523
O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.17398907873460892
Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.8966047717296105
O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.4571205329921927
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.15115766046344833
C/C=C/C1OC(=O)C=CC1O,0.21021845104653852
OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.804560948070032
OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.2249830357123122
O=c1oc2c([nH]1)cccc2,0.19934083719221746
ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.5980502142554427
Oc1ccccc1c1ccccc1O,0.24109556148235672
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.1385799507193085
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.04862975719015654
CCCCON(C(=O)c1ccccc1)OC(=O)C,0.6715402142645289
OCCOC(=O)C=C,0.5386825546828431
OCCCc1ccccc1,0.2601674703229485
CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.23871093977351532
O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.04056484960301282
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.32329094812920656
CC(=O)[C@H](O)C,0.3663970224430908
NNc1ccc(cc1)C(=O)O,0.5271411266036755
CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.7519921518292623
CC(=O)NO,0.3459497217614507
O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.8933468792488926
OCC1CCCO1,0.23817529462700945
N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.06068661499205309
c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9247418740128915
O=C1C=C(N)c2c(C1=O)cccc2,0.8569645254354481
CC(=N)S,0.5262020886256593
CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.03568461295958281
Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.6132555726668085
OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.13089575451360266
COC(=O)C1=C(CC)C(OC1=O)C,0.12406402782841325
ClCC1=C(Br)C(=O)OC1,0.8381052644902285
NNc1nncc2c1ccnc2,0.9503508438651573
Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9103280279204027
O=C1OCC1(C)C,0.4373123559875173
Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.8445975541702905
Nc1ccc(c(c1Cl)Cl)Cl,0.6382807152712304
OC(=O)CCCOc1ccc(cc1Cl)Cl,0.15132898752867222
CC1CCCO1,0.10632617118378597
Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.03449080877997846
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.2958034584216745
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.019814963114475125
CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.12748194622385642
NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.3523139869173374
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9784689205738387
[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.48790754597436825
C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.05449339356476836
OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.8383109235661479
[O-][N+](=O)c1ccc(c(c1)C)N,0.8719742050775204
C/C=C\c1ccc(c(c1)OC)O,0.4151836205816209
Clc1ccccc1,0.11452692010058317
O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.5283678542699778
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.35649898389221135
Nc1ccc(cc1)Sc1ccc(cc1)N,0.49148098981147065
C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.36185372536010896
CC(=O)O,0.1336229469495595
Cc1ccc(c(c1)O)C,0.12267772572743393
c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9203744161242022
CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.8786435268220036
CCOc1nc(ns1)C(=O)O,0.36927191736203085
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.0855027639153899
CC(=O)Nc1cccc(c1)C,0.14664727411255937
CCNc1cc2oc(=O)cc(c2cc1C)C,0.5446590537408553
OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.1148145085667428
[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9705314536496921
BrCC(=O)NCc1ccccc1,0.7102754292816396
c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.9167340865835212
O=C(OC(C)(C)C)CN=N#N,0.898956366101488
OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.762196840900267
BrCCCCCCCC(=O)O,0.28561646051324086
CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.1624224415735238
N#CCc1ccc(cc1)Cl,0.2047334579792709
CCN(N=O)CC,0.8095436225739046
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9049030959127272
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.1113135984515575
O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.7174370776226203
O=S1CCOC(=C1C(=O)N)C,0.37000898430199153
[O-]P(=O)(OC)O,0.20850042348075445
c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9114383156649988
Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8626622474162
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.09451790541610064
CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.3251579457889798
NC(C(=O)NCC(=O)O)CS,0.5831934331170043
CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.41356625260948693
Clc1ccc(cc1)Br,0.06002345259467221
CCN(c1ccccc1)N=O,0.8522168349829778
COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.959639734615421
O=C(c1ccccc1N)OCCc1ccccc1,0.19816805433468046
OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.2823846166121619
Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.795738072697717
Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.8927194048272629
OC1C=CC2C(C1O)O2,0.7650923007668793
OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.6263441605002944
COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5001918128182677
[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.86923127709068
C=CCN(CC=C)N=O,0.5189088109051695
[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.8771992011366914
ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.2243310346964192
Oc1c(O)cccc1O,0.258958673253251
O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.49346739627655845
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.020486605219480317
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.41188320370694415
N[C@@H]1CCC[C@H](C1)N,0.19828779317684747
NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.2677832403816877
Nc1cccc2c1cc1ccccc1c2,0.9502712435962875
CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.14328328746192498
Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.37311304335818474
N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.09699420725735342
Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5882431196741251
[O-][N+](=O)c1ccccc1C,0.6336422015120893
O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.18001455816275705
O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.40823724417380197
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.07140275013496891
ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.970895284411602
Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.1566303635687533
Cn1nc(c(c1)C(=O)O)C(F)F,0.2505333152932911
ClCc1cccnc1,0.7474384820789176
O=c1nc[nH]c(=O)[nH]1,0.0781618281423555
OC(=O)C(F)(F)F,0.2583109750229198
Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8272094784880459
COc1c2cc3OCOc3cc2nc2c1cco2,0.8201173128832383
Nc1ccc2c(c1)cccc2,0.7900371229283742
CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7141327491204146
CNC(=O)ONC(=O)NC,0.3520370739241037
c1ccc2c(c1)nccn2,0.560783828003179
[O-][N+](=O)c1cccc(c1O)N,0.8386358819256589
CC(=O)N(c1ccccc1C)O,0.4647317519680621
O=C(Nc1ccccc1)CC(=O)C,0.11793872314729942
ClC(=O)c1ccccc1Cl,0.25784491205163085
Nc1ccccc1S,0.6455853858140889
N#CCCC#N,0.1970628134315295
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.127695025889173
[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.891395860943516
Nc1c2ccccc2nc2c1cccc2,0.8526773702520356
[S-]C(=S)NC.[Na+],0.7017086541397581
C1CCO1,0.21159106523868285
[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.537265852073767
Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.25501582251720023
CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.22190010105424357
Cc1ccc(c(c1)C)[N+](=O)[O-],0.5451518751813658
Oc1nsc2c1cccc2,0.4945466725949075
[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9328206673927278
[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.563805582122262
O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.3472517258141043
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.03253802553624393
BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9541020057253763
OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.016317023721502573
Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8815391180110358
OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8554692260095643
CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.08683168977249675
C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.3388259013433519
SCC(C(=O)O)NC(=O)C(S)(C)C,0.28986207427289573
COP(=S)(OC)OC,0.3037518099949447
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.0479761753780649
CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.0063144587273284095
CC(=O)NNc1ccccc1,0.25080607393334575
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.06934898837554176
OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6558410965374433
O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.24745867054163195
c1cccs1,0.10881637811199048
CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.8549923768581122
CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.923573862453437
[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.7402951609537202
CCCON=O,0.8349387763917889
Cc1ccc2c(c1C)cccc2,0.5053681217350373
Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.7024762125024167
CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.6502101931439084
O=C/C=C/c1ccccc1[N+](=O)[O-],0.9226273245918021
ONc1ccc(c(c1)Cl)Cl,0.48055884320550396
C1CCCCNC1,0.07663491959822559
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.926014157515483
Fc1ccccc1,0.10515845470280372
CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.06666444564141769
C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.018013345804038683
O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.08935735752616825
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.0633287658239907
OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.06283381950423708
[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.7803873042578668
CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.17184623685825454
Nc1cccc2c1nc1CCCCc1c2,0.7527078730816547
[O-][N+](=O)c1ccc2c(c1)cns2,0.8938256091916079
[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9816493871659658
OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.3873645268530778
O=NN(Cc1cccc(c1)C(F)(F)F)C,0.5127117164983094
CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.886611225378669
CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8872284072605664
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6484123047161915
Nc1ccc(c(c1)O)[N+](=O)[O-],0.6847836574957131
[O-][N+](=O)c1ccccc1C(=O)N,0.8316335023206521
CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.3442727454317448
ClCC=C,0.7662143997975316
[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.959421342328856
CN(CC[C@@H](N(C)C)C)C,0.3231016729234558
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.6261860789131262
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9785359174882822
CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.11371298994940833
Cc1ccccn1,0.12332649741920917
CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.45392885100353386
Clc1ccc(c(c1)Cl)Cl,0.08187687545029852
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.43870907411053095
Cc1c(N)ccc(c1C)N,0.581086621746992
Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.6743363554999237
[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8759839504438459
[O-][N+](=O)c1ccccc1C(=O)Cl,0.8198506197128016
O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9475671876352882
CCCCCC(=O)OCC,0.1353236082544376
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.027997390098036524
CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9505929818610777
[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.7161383106483977
CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.038013002872169105
OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.026328215425062224
OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.3327639635755157
COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8418634354701978
CCOC(=O)C(CS)N,0.3819341858370798
COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.9091604720231578
c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.8501389612625986
Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.6119118885729076
O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.5091947024075654
Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.6244527805073543
c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.5942952088879571
ClC(=O)c1ccccc1,0.3424111437463721
CCCC[C@H](COCCC#N)CC,0.07347726759401027
Oc1ccc(cc1)Cc1ccccc1O,0.13712109946425807
Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8422268092337772
C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.010500554735526257
Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.9563308707511335
Clc1cccc(c1)[N+](=O)[O-],0.6918105202167941
CCCCCc1cc(O)cc(c1)O,0.08897352540152918
COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.2622005525649926
Cc1c(C)ccc(c1C)C,0.03903534317952664
[O-][N+](=O)[C@@H](CC)Cl,0.9323421987124371
NNc1ccc(cc1)[N+](=O)[O-],0.9262185996369019
Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.33104189335570133
OC[C@@H]1SCCN1N=O,0.9872248471173803
CC1(OC1)c1ccccc1,0.5494350465291522
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.4077871773546187
OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.04010253409882742
COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8102346681247007
CC(C(=O)N)Br,0.7987332112750574
O=Nc1n(C)cnc1c1ccccc1,0.7734923444375106
ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.401926603781153
CCc1nc2c(nc1CC)ccc(c2C)NC,0.27944714170588913
CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.05618500555160487
OCC(C(C(C(C(=O)O)O)O)O)O,0.1122855069214145
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9617010255992353
CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8160712449719346
Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.8452422435746364
Cl[C@@H](C=C)CCl,0.7909711872249134
Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.10322687435707603
CCCCCCCC[C@H]1CO1,0.5440255146328273
Sc1nc2c(s1)cccc2,0.3905012173320876
CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.3116461689741883
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.3589248359875834
ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.30028498515381513
Oc1c2ccccc2cc2c1ccc(c2O)O,0.8673951942674876
BrCCOC(=O)C(=O)OCCBr,0.7977894489678817
Clc1ccccc1Cl,0.14974183784600997
Nc1cccc2c1c(O)nnc2O,0.622105928277068
[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.8978479265192886
ClCCN([P@]1(=O)NCCCO1)CCCl,0.7021788298924445
c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9589750208208929
N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.41671348208155407
c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8361142909251006
O=C1CCCCCCCCCCCCCCO1,0.0941488138004162
BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9406502432409405
Cc1cc(ccc1N)N=Nc1ccccc1C,0.9479712070910298
C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.04957800129100184
C/C=C/CC#N,0.1654848300606817
CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.3001196685797444
Cc1nc2c(s1)cccc2,0.456185723291237
c1cc2ccc3c4c2c(n1)ccc4ccc3,0.9563229621760174
BrCC(c1ccccc1)Br,0.6084700971518193
C=Cc1ccccc1Cl,0.18307645172619127
Cc1cncc(n1)C,0.17272950372820453
Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.20992383111722718
CCOc1ccc(cc1)NC(=O)N,0.6156155693899606
ClC(=C)C=O,0.717829114257822
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.07092906520874034
CCCC[N+](=O)[O-],0.30278903065176216
O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.5461889333992198
Nc1ccc(cc1)N,0.5322257006020075
CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.034971426380663063
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.17238692280973728
ClCCSCc1ccccc1,0.6943536464536466
[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9239589187758276
OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9227343234338935
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.019084171611642685
c1ccc(cc1)/C=N/c1snc2c1cccc2,0.5407852134390354
NC(=O)c1cccc(c1)[N+](=O)[O-],0.8453428941315849
NC(=S)NNC(=S)N,0.8103700777961775
OC(=O)Cc1cccc2c1cccc2,0.1371472905469804
CC(COC(=O)C(=C)C#N)C,0.06770011300164946
CC([N+](=O)[O-])(Cl)C,0.6619223056452335
COc1cc2cccnc2c(c1)[N+](=O)[O-],0.6475276946625264
OCCN(C(=O)OCC)N=O,0.827109547311199
CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8089772680843175
Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.8420115351918498
COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8898651825978215
O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9679754970037237
CCC(=O)Nc1snc2c1cc(C)cc2,0.2863135999538751
CCCCCCCCn1sccc1=O,0.4573122813275892
Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.8649302139909035
Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.6780038671630201
ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7340971530768234
COC(=O)COc1ccc(cc1Cl)Cl,0.21175896762705188
c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.13969225636285218
[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.8999607460129228
O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.38889889820401985
CC(Nc1snc2c1cccc2)C,0.6231180238140526
ONc1nc(N)nc2c1[nH]cn2,0.6353691375413436
c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.898380158250111
C1CCC2(CO1)CO2,0.33277873950622106
O=C1c2ccccc2-c2c1cccc2,0.4330732855869039
CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.07455925939306285
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.11907269761611379
CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.10742921255789223
CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.3112762597670601
CCCCOC(=O)c1ccc(cc1)O,0.10130796452454205
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.42486532663314264
ClC(C1=C(Cl)C(=O)OC1O)Br,0.9360108461399118
C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.022083799248723345
Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.28794210525934416
ClC[C@@H](CBr)Cl,0.8442448199873073
Clc1c(Cl)cccc1Cl,0.12652805335375394
COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7614481850940616
OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.08679045796879693
FC(OC(C(Cl)F)(F)F)F,0.497099804103656
OC(=O)c1c(Cl)cccc1Cl,0.08438050460442534
C/C=C/c1cc(OC)c(cc1OC)OC,0.4413420245843419
Oc1ccc(cc1N)S(=O)(=O)C,0.37278821140410867
CCC(CC(CC(Cl)C)Cl)Cl,0.35727887748941595
O/N=C/C(=O)Nc1ccccc1,0.44786518942955267
O=S1(=O)CCCO1,0.440819437159401
O=C1NCC(=O)N1,0.3825103783158335
CCCC(=O)C,0.12730789103678963
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.3033900984548052
[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8520013466048663
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9718419936811513
CCOS(=O)(=O)OCC,0.35884345185885685
N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.6187178559910693
N[C@@H]1CC[C@H](CC1)N,0.21835924145587182
CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.45779443904606715
Oc1cc2ccccc2c(c1)O,0.3588909348477023
Cc1ccc(c(c1)[N+](=O)[O-])C,0.5020232795584414
CN(CCN(c1ccccn1)Cc1cccs1)C,0.28842248471498494
Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.3646266630577056
COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.2029263398987217
O1C(C1c1ccccc1)c1ccccc1,0.43199449903502335
OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.8992663619217159
O=C(C(Br)(C)C)Nc1ccccc1,0.19516874765697462
COC(=O)C(=C)C,0.30167735589389455
CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.6206506830623957
COc1ccc2c(c1)sc(n2)N,0.8633572519400589
Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.9208267032415093
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.98705807502895
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.934734118470986
CN(N)C,0.2811375326727823
Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.760248847286167
CC(O)(C)C,0.030956184127928124
BrCc1ccccc1[N+](=O)[O-],0.9016225650910269
O=c1[nH]cc(cc1Cl)C(F)(F)F,0.3391312840561405
BrC/C=C\CBr,0.9101560560028632
COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.7530636348251372
[O-][N+](=O)c1ccccc1O,0.5913269919880073
CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9097268708026305
OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.90810103308872
[O-][n+]1c2ccccc2nc2c1cccc2,0.7109190355677437
CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.09125124831542675
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.5378913640667493
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.5296331890121887
CCc1cnccn1,0.15225513307072688
O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.5989922283672544
OCC=O,0.8367587656899973
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.40843680979046054
OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.3919628380120387
ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9765708152523027
Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.7963073177751275
N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.5960418313121025
ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.8338528708724899
CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.6604469498081811
Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9093304285011398
Nc1cnc2c(c1)nc1n2cccc1,0.7740842827268738
CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.1865413370361581
CC(=O)OCc1ccco1,0.10378482164892985
O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.5002669484352654
[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9292352519265987
CN=NO,0.7422202272903154
CCNc1nc(NC(C)C)[nH]c(=O)n1,0.07451048380257201
c1ccc(cc1)c1ccccc1,0.5366632983206321
Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8342830881995088
OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8452686526339647
C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.7820924351548972
CC(CN(CC(C)C)CC(C)C)C,0.09524546669039896
CCCC[C@H](COCCCN)CC,0.07950244127530111
COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.09379866281555138
C=COC(=O)C=C,0.3627924179600427
Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.7545922198693353
O=NN(C)C,0.9316276785816756
COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.3253779107643006
CC(=O)C(Cl)(Cl)Cl,0.45851167956974453
Cc1cc(ccc1N)c1ccccc1C,0.7643649188965345
CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.529785959161849
O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.5541080366382054
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.12113260460132788
CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.5953676422951161
CC(c1ccccc1)CN=N#N,0.9148382218887284
CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.9354217123202779
O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.12445498731503378
OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.4215805566014639
OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.8575153835117448
CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.12866801776487488
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.18929508804123288
CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.1607054168928153
c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.6522725833256018
O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.8223761104542104
CCCCCCCCOC(=O)C(=C)C,0.09471890420948538
Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9782480347838377
CCCCCO,0.04426410775781769
CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.7303487037944147
CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.01853656276501459
N#N=Nc1nc2c([nH]1)cccc2,0.963667163571889
C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.03525518264680266
COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.5246159201216943
OC(=O)CN(CC(=O)O)CC(=O)O,0.12135620775524986
O=NN1CCC=CC1,0.8208990494113165
COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.775818551067959
Cc1cccc(c1)[N+](=O)[O-],0.7605468200510651
Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.852506360997136
ONc1ccc(cc1)/N=N/c1ccccc1,0.8365098028274439
NC(=O)/N=N/C(=O)N,0.7650838812551324
CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.7328034064963138
Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.7074564305843841
CN(N=Nc1ccc(cc1)C(=O)O)C,0.23841501104258067
[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.947363438595681
Nc1ccc(cc1C)S(=O)(=O)O,0.19592600500701868
CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.47665738489140785
CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.8159018818693825
CN[C@@H]([C@H](c1ccccc1)O)C,0.13808011797846637
NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.38812237995958276
C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.5415719292403213
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9507627244215957
OC[C@H]([C@H](CO)O)O,0.11655642319846576
OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.5083989597747197
[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.8246116330320679
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.954550665105833
Cc1nsc(c1)N,0.4443242905408976
O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.5720465473654687
O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.7481518332133792
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.14994749080597622
ONc1cc[n+](c2c1cccc2)[O-],0.7970289428948518
CCOc1cccc2c1nccc2,0.44794067182666997
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.0041332213994150725
Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8209195454388787
FC(C(F)(F)F)(Cl)F,0.006508427501477715
OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.148528946404768
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.9833823696923385
CC1=CC[C@H]2C[C@@H]1C2(C)C,0.033467968659650536
N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8430742873462894
ONc1ccccc1c1ccccc1,0.6540250331482818
[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9362779243369073
CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.11328762629907067
O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.08264854707690457
COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.4532717669640852
Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.5884056580352786
OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.39063555665773075
Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.13428976388955716
N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.138244693561586
CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.026393557075456757
NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.4561474306119968
CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.8714162205832464
OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.8161933998450016
O=C1NS(=O)(=O)c2c1scc2,0.10213910145487831
Cc1ccc2c(c1)cccn2,0.3265076440529328
ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.8312783968418164
Oc1ccccc1c1ccccc1,0.22579660112455857
Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.2663616651815545
OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.6076219290270569
OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.1170247817812958
CCCCC=O,0.19066396546458916
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.948035482144277
O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7980137798571756
[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.970045436408635
Nc1ccc2c(n1)no[n+]2[O-],0.8002497782477604
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.08701901109977322
COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.11206167653727293
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.09972560817428633
OCC(C)C,0.06416064571667562
CC(C(=O)Nc1ccccc1)Br,0.7335542440548892
COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.8361889905305698
Nc1ccc(cc1)c1ccc(cc1)Cl,0.7141430761251654
[O-][N+](=O)c1ccc2c(c1)csn2,0.8997322581001815
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.01024123375800908
COc1ccc(c(c1)OC)N.Cl,0.4196005765764123
Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.4350260393536688
Nc1ncnc2c1nc[nH]2,0.509501368994647
OC(=O)c1ccccc1C(=O)O,0.13012301038782403
Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8110970526783049
CCCCOc1ccc(cc1)CC(=O)NO,0.3491665533954266
OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.9226075846018644
COc1ccc(cc1N)[N+](=O)[O-],0.9540650882140326
COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.8008952446766976
[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.7601039274732059
c1ccc2-c3ncsc3CCc2n1,0.6611290103776525
O=CNc1ccccc1,0.4301463343153113
OCCN(CCO)CCO,0.23288225393486525
CC(C(=O)Nc1ccccc1)C,0.2777486073158045
CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.30525889515164106
CC1CCCC1,0.0437016087898066
C[C@H](CBr)O,0.8348467838401452
CN(CCN(c1ccccn1)Cc1ccccc1)C,0.16151649775570565
OCCN(c1ccc2c(c1)cccc2)CCO,0.7127742729563716
CC(OOC(C)(C)C)(C)C,0.21864675114299112
C1CCCC2C(CC1)O2,0.25282495068472916
OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.41834792139404126
N#Cc1ccccc1[N+](=O)[O-],0.7192114887739026
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.8249283249101694
O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.6315596946706624
OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.6633630388231349
OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.8940691347430271
OC(CN=[N+]=[N-])CN=[N+]=[N-],0.943801334710152
CC[C@H](OS(=O)(=O)C)C,0.3331952351286578
CCCCCCOC(=O)C=C,0.12273446814065693
C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.4481285547756062
CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.0965042052143262
CCOC(=O)[C@@H](O)C,0.2557915762276643
OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.9261091836341179
ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.9752976111756753
CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.5525179407257808
O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.07109523595672183
O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.03375463874140042
NCCCl,0.9305103214975315
COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.8173734000066306
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5564967706600601
c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.17435423337621672
OC(=O)C(Oc1cccc2c1cccc2)C,0.3148325649847386
O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.08193572206474904
ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.15967763487408454
OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.668097128509665
OC(=O)C(CCS(=O)(=N)C)N,0.06333142952584286
CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.3970326053175255
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.12098028838252094
COC(=O)C1=C(C)C(OC1=O)C(C)C,0.08911084828760091
CCC([N+](=O)[O-])CC,0.36971624939421405
CCN(/C(=N/O)/C=O)N=O,0.8588852602323053
CN(N=Nc1ccccc1)C,0.7265110559388545
NC(=N)NC#N,0.5374048360664453
OCc1c(CO)cnc(c1O)C,0.07852917413848666
OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.8949663136205279
CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.598954232033347
OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.6053826884192258
COC(=O)C(Cl)Cl,0.8966792971568678
CC(Br)(C)C,0.012450489297337709
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.9651635273769138
COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.1840946215402008
C[n+]1c2ccccc2cc2c1cccc2.Cl,0.8030768187795136
CCCCCC/C=C\CCCCCCOC(=O)C,0.12320395586004294
OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.13783028666282598
Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9173241892254262
CC(=O)Nc1snc2c1cccc2,0.4373904252447941
Cc1ccccc1,0.16369762654349343
CC(COC(=O)Cc1ccccc1)C,0.06027638589012926
ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.6430732478347897
OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.34160529748413654
Fc1ccccc1c1ccccc1,0.23171340096613866
CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.43898256906174654
[O-][N+](=O)c1c(C)ccc2c1cccc2,0.8526966912526998
Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.4458804582023113
Clc1ccc(c(c1Cl)O)Cl,0.07291926056887645
[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.913517530132174
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.956810227655133
CCCC[C@H](COC[C@H]1CO1)CC,0.7021243605185319
Cc1ccc2c(n1)cccc2,0.2916422043729755
Nc1nc2c(n1C)ccc1c2nccc1,0.9249982899828809
CCCCOCC=O,0.4245679855988909
CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.05380335860445282
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.56924827311701
OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.04455221574513895
O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.5292380510113719
CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.5675061800405884
c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.938157116186932
COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8775082697911956
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.36507715325599155
O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.13075532868677878
OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.0717311799648832
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.9906967125968261
Clc1cccc(c1)C(F)(F)F,0.11439270513217788
CCOC(=O)c1cccc2c1nccc2,0.4358884201136351
O=C/C(=C\c1ccccc1)/C,0.5143559503842595
Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.926842170396676
ClCCOC(=O)C=C,0.8286286219935918
OCCN(C)C,0.04056518783131902
N/N=c/1\sc2c(n1C)cccc2,0.7042004410888822
O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.6338411000909364
NCC1(C)CC(N)CC(C1)(C)C,0.11693275381235102
O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.7776166872490659
O=Cc1ccccc1,0.338265990540435
ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.20849243525694447
CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.5225465146583853
BrCC(CBr)Br,0.6133299416142323
Fc1cccc2c1cccn2,0.3751526106935941
CCCCCCCCCCCCN(N=O)C,0.6541235033921813
O1CCN(CC1)SSN1CCOCC1,0.5289055430644738
O=NN(C(C(=O)C)OC(=O)C)C,0.9370754751783853
COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.8444449812311395
C=CCOc1ccccc1OCC(CNC(C)C)O,0.09581668718037231
COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.3628104918170583
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9566276821103499
OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.02697133366241798
N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.8410769459593145
C/C=N/N(C=O)C,0.8452898869049165
c1cc(cc(c1)c1ccccc1)c1ccccc1,0.40038323380335855
OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9145417347603597
OC(=O)CN=N#N,0.8354344711458309
Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7786706896145981
CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.05994582058057729
CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9437282225557907
Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9381471418780613
OC(=O)c1ccc(c(c1)N)C,0.2469485544463525
CCOc1ccc(cc1)N(C(=O)C)O,0.7031984309270726
[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.8275501225572852
[N-]=[N+]=NCC(C(=O)O)(N)C,0.759505862981468
CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6027168959521346
c1ccc(cc1)CN1CCN=N1,0.6920835572606544
CCCCN,0.05358116559354499
CCN(C(=N)N[N+](=O)[O-])N=O,0.8779540260842882
Cc1c(C)cccc1O,0.15240291698191008
OC(=O)c1ccccc1O,0.06452279075858999
CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.023670517282939053
c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.3867274944113886
OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.03744290371240115
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.5028673309873973
Nc1ccc2c(c1)c1ccccc1cc2,0.950647092230411
n1ccc(cc1)c1ccccn1,0.5317423298521169
CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.1215166936240904
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.6645441748761464
OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.3164591664599892
CC(CCCCCCCOC(=O)C(=C)C)C,0.06667919540558485
O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.2796157186427842
OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.3294858988380218
NCCS,0.5641187601583557
C[C@@H](c1ccccc1)Br,0.3934946286453282
O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.34767203490342685
Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9543960518261648
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.9200945432303556
COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.9016741587717427
Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5725701340600788
O=NN(C(=O)O/N=C(\SC)/C)C,0.9235375087195283
CC(=O)Nc1ccc(c(c1)N)C,0.6042483012555864
COCCN(c1c(C)cccc1C)C(=O)CCl,0.509037197689165
OC(=O)CCCC(=O)O,0.11461961655632345
O=c1[nH]cnc2c1cccc2,0.18753941512740607
N#Cc1ccccc1C#N,0.19569050186006465
ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.22333516995827024
Cc1ccc(cc1)C,0.07475749956772107
CCSCC[C@@H](C(=O)O)N,0.3941443615969394
Cc1ccc2c(c1C)c1ccccc1cc2,0.8328751249907848
CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.0838970315113357
C/C=C/c1ccc2c(c1)OCO2,0.6032207416701144
OC(c1ccccc1)CN=N#N,0.9070745609811381
BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9589116465039617
CC(CNCC(C)C)C,0.16898055056930242
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9718815093078724
Brc1cccc(c1)[N+](=O)[O-],0.5288342913900468
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.06903728451947003
O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9030512878332986
CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.06471316152148204
[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9563839612917797
c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6314003238760046
O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.11693744852251745
c1cc(OCC2CO2)c2c(c1)cns2,0.9249291143780657
Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.2121828748804155
[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9106033036598141
CC(=O)c1ccco1,0.33982380069742657
OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3129907837999308
OC(=S)c1ccccc1,0.2585023357128343
C[C@H]([C@@H](CCl)Br)Br,0.7804588926959392
Clc1ccc(cc1)CC[C@@H]1OC1,0.8611450174937852
Clc1cccc(c1)NC(=O)N(C)C,0.28794232467898456
O=NN(Cc1ccc(cc1)F)C,0.8813534113806296
BrCC(=O)c1ccccc1,0.6661654144158535
BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.7730495489777272
NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9808588087255437
c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.4775496296539978
COc1ccc2c(c1)C1CCCCC1C1C2O1,0.8373466702687079
NC(=O)NNC(=O)N,0.6633835115010676
OCc1nc(N)nc(c1)C1CC1,0.4896620949132348
Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.9331169738727162
O=NN1C[C@H](C)C(=O)NC1=O,0.6657201493762543
Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.09614434144599585
Nc1cc([N+](=O)[O-])c(cc1C)N,0.8627188981846778
O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.7720252491447767
Nc1ccc(c(c1)[N+](=O)[O-])C,0.8693693904466812
c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9290190470427103
CC(Br)C,0.13332148125894952
CCOP(=O)(OCC)OCC,0.10191602408762666
O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.6718105220613881
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.7497843467924103
O[C@@H]1COC(=C(C1=O)O)C,0.09762146324301764
Nc1ccccc1O,0.29186801998656775
O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.04001260664702877
Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.7355506857070043
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9265569128084317
Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9911517466997223
O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.44810127865828514
CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.08669262472772013
Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.7642680312506914
CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.8307622212430816
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.6920330355326308
OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9218837304443789
c1ccc2c(c1)cc1c3c2cccc3C=C1,0.8812322083817761
c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8830927201096364
C1CC[C@@H]2[C@@H](C1)CCCC2,0.023263595810334787
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.6734390610117852
O=Cc1cccc(c1)Cl,0.4784359972665567
COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.206323053584221
O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.5564376234087439
Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.5518748686152606
N#Cc1c(Cl)cccc1Cl,0.22524888826262032
OC(=O)C[N+](C)(C)C,0.021170126828360936
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.56924827311701
O=C(c1cccc2c1nccc2)OCc1ccccc1,0.15909891362711234
Cc1ccncc1,0.17652347571507077
COP(=O)(NC(=O)C)SC,0.6442726619941173
Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.5426903280762201
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9784280405441306
CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.722583260548588
ClCC1=C(Cl)C(=O)O[C@H]1O,0.815842274139993
OCCN(N=O)CCO,0.8464479740632028
CCCN=NC(OO)(C)C,0.7736291384560864
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.18036967237311907
CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.09641428909007622
Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.7635631967525974
Cc1ccccc1OC[C@H]1CO1,0.888759091684291
CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6993759655858207
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.06297864077846194
OCC(C(CO)O)O,0.11655642319846576
BrCCCBr,0.5815455560704764
C1OC(=O)C=C1,0.4240009232060162
OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.16340193044634913
N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.27977989587211205
CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.5426278062089513
O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.6650827504128037
CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.17837418219041046
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.153308601793249
NNc1scc(n1)c1ccc(cc1)N,0.9553776181659508
c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9414684723138873
COc1cccc2c1nc1occc1c2OC,0.5301982325203259
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.1581711560587589
CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8831632829360123
CC(=C)C(=O)OC[C@@H](CBr)Br,0.31010987782295296
C=CC=C,0.2216703751733798
OC(=O)Cc1ccc(cc1)Cl,0.07594475687283035
O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9783174410751596
Clc1cccc2c1oc1c2cccc1,0.5152094203413009
CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.10460673286888539
ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9625800761356527
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.40026043541806366
O=C/C(=C/c1ccccc1)/Br,0.5529602231710476
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.020970083099303125
COC(=O)N,0.4288007286313586
OC/C=C(/CCC=C(C)C)\C,0.13936608403210834
O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.0798650663904928
O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.10126746830799867
Fc1cc2cccnc2c2c1nccc2,0.6415942643643833
ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5309417409885432
OC/C=C/c1ccccc1,0.5626857130600018
CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.05306245264460696
CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7955032040491377
N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.7074680183394536
O=Cc1ccc(cc1Cl)Cl,0.3755825362569331
CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.5888494729427781
Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9533198620969162
O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1525731210733574
[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.975736593077926
CCOc1ccc2c(c1)sc(n2)N,0.8280980401957706
C1CCNC(=O)N1N=O,0.848149181918197
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.03819079201321645
COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.6179748261382738
OCc1c2ccccc2c(c2c1cccc2)C,0.8204229936247174
CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.1431234286511101
BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.7706857022462628
COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.2692483659002856
O=Cc1ccc(cc1)O,0.3404473239936208
CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.09135807927675847
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.7734667327685015
CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.10246456282315064
O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.9157639397036892
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.5512379825962217
O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.041223344531880424
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.17199801713109725
C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.011941382637502997
C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.09584199953122709
O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.8207406499438658
OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.16129885486583315
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.8371521337723422
O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.5773661339566469
BrCC1=C(Cl)C(=O)OC1,0.9014829919223548
COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.4972792894182106
[O-][N+](=O)c1nccn1C[C@H](COC)O,0.7592725762609147
CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.08030908294359988
O=CN(C(=O)N(C)C)C,0.7042387843823587
Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9597754858425113
ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.4192901246946413
OC(=O)[C@H](Br)Cl,0.8877196694466808
OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9058770125851769
O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.4588364367733665
C=Cc1ccc(cc1)[N+](=O)[O-],0.619851365191213
CCCC(=O)OCC,0.1661497654571702
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9773478303812232
ON(c1ccc(cc1)Cl)C(=O)C,0.4562122719229936
[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9749556419457285
N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.6017351026676618
Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.24432719311536266
c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9231378354614755
Clc1cc(Cl)nc(n1)N,0.3783233842132574
C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.8785321726485075
Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6386620754922976
O=C1C=CC(=O)c2c1cccc2,0.3247385615244277
CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6845511346547898
CCC(C(=O)NC(=O)N)(CC)Br,0.47330856623791423
[O-][N+](=O)CCC,0.5111768135965238
OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.9177773891309413
O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.3223033735813536
CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.6845817037057604
[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.981739951293671
ClC(=O)OCc1ccccc1,0.29818421165720643
OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.9305956062060163
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6813927165378145
OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.08807096484845969
OC(=O)c1ccccc1Cl,0.06794181830950777
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.28149386933015036
OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.48733168977557156
Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.6537317910579015
CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.878598336726987
ClCc1ccc(cc1)C,0.48648059828377005
O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.1867912700493798
NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8430742873462894
O=NN(CCCC(=O)c1cccnc1)C,0.5445649023450774
OC(=O)c1ccccc1O.[Na+],0.06452279075858999
[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8008459041804127
COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.7413318045051704
Nc1ccc(c(c1)C(=O)O)O,0.252648723340139
c1ccc2c(c1)nccc2,0.5540019256113106
Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.6783251651111066
C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.5130600760040979
CCCCCC(=O)N,0.17962657958000308
Cc1cccc(c1)O,0.15080626700320712
COc1nncc2c1cccn2,0.5337641335281331
C/C=C/c1cccc(c1OC)OC,0.5389307987842741
COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.4637573085683977
OCCCCCl,0.5871917208119058
NCCNCC,0.4662794624603924
CCc1nccc(c1)C(=S)N,0.3639324677983599
O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.27547482460864386
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.8964170368263854
O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.46648344355489185
Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.7840743334891479
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.7199904641192799
O=Nc1ccc(cc1)Oc1ccccc1,0.7611744069080552
Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.1786417716162416
C1COC1=O,0.3782786119607191
CCC(C)(C)C,0.018670145008829072
CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.039753129841720816
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9261384880882249
CC1=CC(O)C2CC1C2(C)C,0.024450460108928148
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.7768987939367342
C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.14681704770666706
NC(=O)Nc1nc2c([nH]1)cccc2,0.5220174283025906
C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.12581083795694847
[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9682538492594431
CC1c2ccccc2-c2c1cc(C)c(c2)C,0.5405442342252806
CC1=CC(=O)c2c(C1=O)cccc2O,0.5607217387833752
[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9608059973705556
COC1=CC(=O)C=CC1=O,0.4124844665433348
O=CN(c1ccc(c(c1)Cl)Cl)O,0.7381700919662678
Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.019943084357641423
[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.7180145047006057
COCCCN,0.13602311756296193
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.873452513876887
OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.04549618916820805
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.6832805468477566
Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.07156120189108538
Oc1cc(O)c2c(c1)oc(=O)cc2C,0.456495470794829
C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.6901915722785443
OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.0557612570603352
OC(=O)C(Cn1cncc1)N,0.10639613380543
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6069882419725805
Clc1ccc(c(c1)N)N,0.8410758649298734
Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.4791828562903445
N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.382282418080749
CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9394178873331932
Clc1ccc(c(c1)N)C,0.7339737858660014
Nc1cccc2-c3c(Cc12)cccc3,0.7861077757751429
CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.2498743325888418
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.020997229675825728
O=C1CCCN1C,0.5941015830725659
CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.027841777557533223
ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.7618761323165201
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9137457029489396
Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.4779419989188252
Oc1cccc(c1)O,0.10846344283970248
CSSC,0.35158516093965464
Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.9482798419029774
CCc1nn(c(c1Cl)C(=O)N)C,0.039894676701595966
Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.20019072929492984
COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.7356009656706028
ClCc1cnc(nc1Cl)Cl,0.5210199798977613
O=C/C=C/C(O)C,0.55893956011661
c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9444236061148013
O=C1NC(=O)c2c1cccc2,0.10753314794104758
C/C=C\C=O,0.5179883948484203
COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.1692336256667295
Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.8939095844039441
N#Cc1ccc(cc1)[C@]1(C)OC1,0.8822174806940652
c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.8207354878140676
O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.2658886994772567
Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.832451997353266
Cc1ccc(c(c1)N)N,0.7647173376988363
CCN(C(=O)c1cccc(c1)C)CC,0.521788943263359
COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.11282847027670098
C[C@@H]1O[C@H]1c1ccccc1,0.5981915369379461
O=Nc1ccc(cc1)c1ccccc1,0.7906323519098282
Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.41644256816744085
CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.33553868450879865
CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.21402968076350198
CC(Cc1nccs1)C,0.045966525784076895
O=CC1=CC[C@H](CC1)C(=C)C,0.19240189689320417
OC(=O)CS.[Na+],0.2540529567802332
ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.1604655742563798
OC(=O)C1CC1,0.16651692025980808
CC(C(=O)OC)CN=N#N,0.9599618993308163
Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8297038314394154
CNc1ccc(cc1)O,0.39220614031752293
O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.14097277928668417
OCCCCN(N=O)CC,0.9298706485030959
BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.7168668095725222
NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9782855402501406
NCCCN1CCN(CC1)CCCN,0.22404908221254444
CCN(N(N=O)O)CC,0.957714216004137
c1ccc2c(c1)Sc1c(O2)cccc1,0.5050021574905716
OCCN(C(=O)Nc1ccccc1)C,0.3322985906198368
ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.6919326985452702
[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8145668764591236
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.6845762653823155
Nc1nc(N)c2c(n1)nc[nH]2,0.61378349628526
c1ccc[nH]1,0.19757498897669734
CC(=O)OCc1ccc2c(c1)OCO2,0.4340543511664907
c1ccc2c(c1)[nH]c1c2ccnc1,0.5976238866928615
O=c1cc(n(n1c1ccccc1)C)C,0.5032805346121033
Clc1ncccc1Cl,0.2209702455906829
Cc1cc(N)cc(c1)N,0.6329489125621061
Cl/C=C(\SCc1ccccc1)/Cl,0.6312711657192617
CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.7344265116238596
[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9903078011891002
OC(=O)[C@@H]1CSCN1,0.1249204441016342
ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6850860503904466
CCBr,0.13553939803827944
CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.791660769233382
[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.6723827181230468
CCC1(C)CO1,0.49957572519164317
CC1=CC1,0.5204390496488303
COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8232103044333487
Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8254229684055036
[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.6442461437137907
Nc1ccc(cc1)C(=O)N,0.3532118171398321
O=NN1CCCCCCCCCCCC1,0.8324560679856603
CNC(=O)C1=NN=C([CH]1)Br,0.6200616082784356
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9887969837937703
CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9503814086739232
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.039294927558458606
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.2677366799610271
Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.8796384831834918
CCN(CC)N,0.6628905892953462
Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.18987545270812994
Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.0869493493782102
Cc1cc(C)cc(c1)O,0.06690389266043698
ClC(=O)c1cccc(c1)[N+](=O)[O-],0.8054032908908132
OCCc1ccc(cc1)[N+](=O)[O-],0.7282937935955215
O=C1CC(=NN1c1ccccc1)C,0.347914035252653
C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.643360913358712
Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.9039480480825085
Clc1cc(Cl)c(cc1Cl)Cl,0.02713264065324061
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9421543369736025
C1CCC=CC1,0.09315496795346175
Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9702908001054538
CCCCCl,0.37862046664148724
COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.6797414197318706
CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7928747910058093
COP(=S)(OC)Cl,0.4859388741945915
Clc1ccc2c(c1)cccn2,0.5674645977518328
Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.5400768203275366
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.21470676566852198
ClC=C(C)C,0.6281820669677044
COc1ccc(cc1N)C,0.38051544337385274
ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.5546186623818254
c1ccc(cc1)NN=Nc1ccccc1,0.799419780069906
O1CCN(CC1)Sc1nc2c(s1)cccc2,0.29459710486866175
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.14411082868724792
C=CC(=O)OCCCCOC(=O)C=C,0.4142346713831218
ClCCCCN(COC(=O)C)N=O,0.9889941220867396
Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9342662842376792
O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9735554098785849
CCc1ccccc1[N+](=O)[O-],0.7091445739433283
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.15884473498232765
CCCCCCCCCC[C@@H]1OC1,0.5926429699420281
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.7966240154712362
ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.20849243525694447
C/C=N\O,0.31821373219927473
CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.3916076201452016
CO[C@H]1C[C@H](OC[C@]2(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,0.27842552968044115
CNC,0.058626629942470074
CN1CCC=C2C1CCc1c2nc(s1)N,0.6303191683840168
OCC=C,0.19136810356349254
C1CCC2C(C1)c1ccccc1C=C2,0.41901517383486836
Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9336198385859851
[O-][N+](=O)c1ccnc2c1cccc2,0.8624042033585294
O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.6980939695836941
CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.06024032720971267
CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.19705112979878897
Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.19557949162915897
CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.12729950873171084
CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.007830174343261324
CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.8787316944059362
Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.827903971046681
O=NN(Cc1cccc(c1)C)C,0.8562731596285946
ONc1ccc(cc1C)C,0.5172023678843796
ClCCOP(=O)(OCCCl)OCCCl,0.7318353113514229
OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.5753015413954311
Clc1cccc2c1cccn2,0.48526197281667843
COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.6716711714597606
CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.7899271087329849
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9441742396902427
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.01515920400611602
[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9218343820491076
CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.15180512819214145
BrCC(=C)Br,0.7835047837782774
CC(=C)C(=O)OC[C@H]1CO1,0.6384437234471454
CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.08090721935324409
C=CCc1ccccc1OCC(CNC(C)C)O,0.12881449810969114
CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.4445447471776113
[O-][N+](=O)c1ccc(c(c1)N)C,0.9237366507221472
CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.2036085851627879
OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.02286360929880079
CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.0940973461337892
CNC(=O)c1cccnc1S(=O)(=O)N,0.2037037011430965
O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.0360116049626875
CC(=O)c1ccccc1,0.2707352707979202
CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.233294534371706
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.8981514437213604
Cc1ccc2c(c1)ccc(=O)o2,0.43466244883623106
OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.39784154724999804
NNc1nnc(c2c1cccc2)NN,0.9177773891309413
CC(CC1NC(=O)CNC1=O)C,0.0954545085072412
O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.1787031208305752
Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.8570891860445069
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7144792000283086
OC(=O)c1c(N)cccc1N,0.248282140816237
Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.94973504684289
OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.3710035823432048
OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4116835175888737
C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.5334966958521123
CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.03536519326172791
CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)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,0.2954888818985073
OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3727727839086749
O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.07835647723150409
c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8602601008907311
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.5156623680737978
Nc1sc2c(n1)c(Cl)ccc2,0.7870676352026909
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5028673309873973
CC[S@@](=O)CCSP(=O)(OC)OC,0.6816332009957465
CCOC(=O)CBr,0.7983173694446442
Fc1ccc2c(c1)cccn2,0.46015684333585366
O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.7758999169122244
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.15290044693233698
O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.1721396406835093
CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.5815206117997221
NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.9835977818796728
O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.762488827750715
CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.04024047787738313
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.20032341451596142
OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9094527034654507
O=C(Nc1ccccc1C)CC(=O)C,0.22732328666248822
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.781224334051401
Fc1cc2ccccc2c2c1cccn2,0.6502597963172688
CCCCCCCCCCCCCO,0.08219315551420112
C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.3532676340649478
CCCCCC(/C=C/C=O)O,0.4888096460965667
[O-][N+](=O)NC(=N)N(N=O)CCCC,0.8640644932794268
ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.3024383002204939
Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7602027086867962
Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.012629016566341612
Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9190119256218362
Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.9245244411096012
ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9772636994115645
N#CC(N=NC(C#N)(C)C)(C)C,0.39026198105406174
OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.7134357515984836
O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5765481863524023
OC(=O)CCCCCCCCC(=O)O,0.03023695653360512
COc1cc2nc3cc(N)ccc3nc2cc1N,0.9651962568322774
O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.34300020127000186
[O-][n+]1cccc2c1cccc2,0.46512016283490365
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.024633341662879994
CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.38406176102072803
COC(=O)c1oc(c(c1Cl)Cl)N,0.21970812824313599
CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.2956873298336162
OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.15593817492311543
CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.68022218352894
CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.01441241520945023
COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.741196774968976
CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.03866131286008113
Nc1nc(NC2CC2)nc(n1)N,0.732922436932452
NC(=S)N,0.4453137357025275
ClCC(CCl)O,0.59927526633788
COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.36378823984269704
NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.17394766944289092
CCOc1ccc(cc1N)N,0.7847057274462197
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.4112849416578086
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.12186015148995696
COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.3337095353913606
OCc1ccc(cc1)OC(=O)C,0.23169925320532123
CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.16055738112211196
O=NN(Cc1cccc(c1)OC)C,0.9095248214639179
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.6354638987529502
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.771214384548229
ONc1cc(C)ccc1C,0.5242484147913399
CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.7890711268911592
CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7159335123908995
CN(C=O)N,0.8738514675642115
CCCCCCCC(=O)Nc1snc2c1cccc2,0.14662104158713607
Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.5177296956570713
Clc1ccc(cc1)c1nc2c(o1)cccc2,0.1393791765035392
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9161500830169025
ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.4028561995273583
COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.28679150497507044
c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9294004387510225
O=Cc1ccccc1Cl,0.38798893607119905
CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.8004581065891454
CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.18662642968621743
OCCCCCCC/C=C/C=C/C,0.333295803005649
[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.5470445372052918
CCCCCCCCC,0.05042029383444384
c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9265684188772936
CN(NC(=O)CCC(=O)O)C,0.3333920301504964
O1C[C@@H]1COc1ccccc1,0.8513980874915846
CC(c1ccccc1)Br,0.3934946286453282
CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.05038664090973288
COc1nsc2c1cccc2[N+](=O)[O-],0.8262329358175534
OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.20573822801621441
O=c1ccc2c(o1)cccc2,0.2609907827081085
O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.9302516885661507
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.32780567607451744
CCOc1ccccc1OCC1CNCCO1,0.21562233041274828
OCCN(c1ccc(cc1)C)CCO,0.33161846483830915
CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.8487798839332892
Nc1ccc2-c3c(Cc2c1)cccc3,0.8703281358169628
OC[C@@H](CCl)O,0.7843492290074074
COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8587085334578358
O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9154172048904913
OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.11611351045000448
N#Cc1cc(Br)c(c(c1)Br)O,0.16082431971436373
Cc1ncc2c(n1)CCC2,0.11140082386288416
NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.39588204061465926
[N-]=[N+]=CC(=O)NCC(=O)NN,0.884281117556528
OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.12383232195758809
Nc1nc(N)c2c(n1)[nH]cn2,0.5558675130277336
ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.15114778518762426
OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.1019677619816418
O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9737301911703473
CCCCCOC(=O)C=C,0.10824749642371431
OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.29423230357919095
c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.8835732715729308
O=CC1C=COC=C1,0.42922575177709316
CCCCN(CCC(=O)OC)N=O,0.8417176453107111
C1CC[C@@]2(CO1)CO2,0.35501907614158434
CC(=O)Nc1ccc2c(c1)cccn2,0.4791200917893991
Nc1cccc2c1snc2,0.7986520412467574
C[C@H](C(=O)N)Br,0.8003063060061907
[O-][n+]1ncc2c(c1)nccc2,0.45958939584404584
CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.44613371541741936
Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.3977910501152191
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.28159337857963157
Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.9538879458824571
O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.19660933757462615
N#CCNC(=O)c1cnccc1C(F)(F)F,0.07840765173266077
[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.7363993014759203
S=C(Nc1ccccc1)Nc1ccccc1,0.24628723444445771
O=NN(C(=O)N)CC(=O)O,0.6507349118121618
CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.6674825098922497
ClCc1ccc(cc1)F,0.4545735555649372
O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9640212527354428
O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.7832241275035932
[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.8808461801937577
c1ccc(nc1)c1cccnc1,0.46191014754623394
Cc1ncc[nH]1,0.12280342164270684
OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.13025487729403354
CNC(=O)Nc1ccc(cc1)C(C)C,0.22429723232708743
Cc1ccc2c(c1)ccc1c2cccc1,0.8574690216317569
CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.5984344731113979
O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.04816826547182972
CCOC(=O)CNC(=O)CBr,0.8258431805587892
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.4574908967662948
COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.8320140164496725
CC(=O)CCOOCCC(=O)C,0.6597183393961598
Nc1ccc(cc1)/C=C/c1ccccc1,0.7801232684310481
O=NN(c1ccncc1)C,0.7159311347887829
[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9797865759872836
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.07750069949450283
BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9360619902472059
[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.7693166445121364
CON(C(=O)Nc1ccc(cc1)Br)C,0.33881518038915975
Nc1ccc2c(c1)nccc2,0.7213132229961384
Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.3536036434717985
O=c1oc2cccc3c2c2c1cccc2cc3,0.604349480898085
Clc1ccc(c(c1)N)[N+](=O)[O-],0.7447350650008828
CSc1ccc(cc1C)OP(=S)(OC)OC,0.05846134101665951
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.7509730331074588
Nc1ccc(cc1)S(=O)(=O)N,0.3996880494109624
Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.4342089139318992
O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.2444026650163792
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.1254869545739485
Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6605175281700318
Cc1cccc(c1)C,0.19598925469920417
COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.2623235337444999
CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.5419937778955962
Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.6750825882752329
N#CCc1ccccc1[N+](=O)[O-],0.6071695580532874
COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9610034512272845
n1ccc2c(c1)cnnc2,0.4689572577879071
CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.29456002403871684
CCc1cccc(c1N)C,0.4790888653199999
ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9120236389022417
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.8919184370043437
C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5803185615207442
CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.7000901514585465
CCCCCCCCCCCC=C,0.08364811214399599
Cc1ccc(cc1)Cc1ccccc1,0.11222380142036102
C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.7053162505250498
OC(=O)C1(N)CCCC1,0.08534900653815662
C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.12333315325959801
OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.698997239614417
OC(=O)c1cccc2c1OC(O2)(F)F,0.17304257377907556
[O-][N+](=O)c1ccccc1c1ccccc1,0.8254716524226328
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.7721353660783737
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.2563994641964133
BrC(=C)C=O,0.5267521427877417
Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.15210046045933534
ON=C1CCCCC1,0.35820868301857084
[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8796486854649697
CCCCN(CCO)N=O,0.8990939539362333
C/C(=C/COC(=O)C)/CCC=C(C)C,0.4790184467698525
CCc1cccc(c1N)CC,0.20458795770113827
O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.1797182052686239
CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.6151750858794227
CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9767052551983156
CC(CC(=O)Nc1snc2c1cccc2)C,0.10894211779996926
FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.06452107965167311
C[Si](O[Si](C)(C)C)(C)C,0.06326894392527962
[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.660791141520893
Oc1ccccc1/C=N/c1snc2c1cccc2,0.46726238633914113
CCc1ccccc1N,0.49906205456630964
OC(=O)c1ccc(o1)[N+](=O)[O-],0.6803036714285405
CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.46394510746668566
C[C@@H](c1ccccc1)N(C)C,0.2936033445971963
OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.6998574024656701
C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.967213282687056
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.6408538923700623
OCCOc1cc(Cl)c(cc1Cl)Cl,0.3903199717859177
CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.2651590505888319
BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9511270311583424
C=CC(=O)NC(CC(=O)C)(C)C,0.14794253647061908
[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.8353693579012869
NCCc1c[nH]cn1,0.2589407497085435
O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.21086160801615172
C1CCOCO1,0.04805081235861034
NNc1ccccc1[N+](=O)[O-],0.9348066485322242
OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.1132792704767731
C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.08115290844374913
Cc1cc2ccccc2c(c1)C,0.4484182658634956
CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.14722006961070613
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.5328369966821995
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.34260739975505333
Cc1n[nH]c(=O)[nH]c1=O,0.26768006182535026
CCCCOC(=O)C,0.14509978283899444
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3535043431963121
CC[P@](=S)(Sc1ccccc1)OCC,0.03512348473734189
Cc1cc(O)nc(n1)S,0.08282085071807933
Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.8655446579982898
Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.654504045053883
Cc1ccccc1S(=O)(=O)N,0.2568962621977798
C/C(=C\C=O)/Cl,0.5256291725031061
CCCCCC[C@@H]1OC1,0.5715656624810516
[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.963542024851819
Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.19064156682619968
CCCCSCCC(C(=O)O)N,0.19365704772969128
O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9761695239943574
CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.2542509025235124
ClCc1ccccc1CCl,0.5158111560319684
OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.07821365648550206
Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7359809663376292
Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.25679875189467105
c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.7999310478233908
Oc1ccc2c(c1N)cccc2,0.7886278471077927
CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.4558931201508155
O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.8605130629201359
COc1ccc(cc1)CC1OC1,0.7966508234179513
CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.491236114490403
Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.6299792134106571
C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.5803708545364568
COc1c2ccccc2[n+](c2c1cco2)[O-],0.8225618536094209
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.22798093612957163
CCCCC/C=C\C=C/C=O,0.5954309482166722
CCN([N+](=NO)[O-])CC,0.9646121981735853
Fc1cccc(n1)F,0.1365977996439474
Clc1ccc(cc1)C[C@@H]1OC1,0.7782330514282535
O=S1(=O)CCCCO1,0.30033121559026826
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.16098970306300464
[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.950195491029559
O/N=C/C=N/O,0.6617056916607648
NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8173586170111692
CC(C(C)(C)C)OP(=O)(Cl)C,0.245518402152994
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.3752835946112009
CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.49503731844093735
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.4877814644523314
OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.5687714363758276
O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.48679266991906167
Clc1ccc(c(n1)C(=O)O)Cl,0.04629476178007976
O=C1CCCCCCCCCCCC(=O)OCCO1,0.1730591118090215
Fc1ccc2c(c1)sc(n2)C(=O)C,0.6420514651607683
Fc1ccc2-c3c(C(c2c1)C)cccc3,0.5517427657108697
OCNC(=O)CCl,0.8655815176174614
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.4729025571673681
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.04632526293388584
Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7440764575050255
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9782608972626409
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.17166172894023868
OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.9141956231165315
[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9726874072542291
ONC(=O)c1ccc(c(c1)O)O,0.628866538005326
NC(=O)c1ccccc1C(F)(F)F,0.2109847139955557
Cc1ccc(c2c1cccc2)C,0.6231539333089134
O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.2627347684777314
O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.19156581766802439
N#CCCNCCC#N,0.6721783180508033
Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.21992787772249978
c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8484486204533762
CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.03509940068357389
Clc1ccc2c(c1)c1ccccc1o2,0.6629889480654882
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.8374179548687714
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.28211499905361664
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.9169740307962091
OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.5203269918697588
c1ccco1,0.20476138954236486
C=CC(=O)OCC(C)(C)C,0.10224937117581326
COCC(=O)O,0.11480893335427297
CCCCOc1ccc(cc1)N=O,0.641934146712843
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.07477796004227508
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.19320562974431915
NNC(=O)CNc1ccc2c(c1)cccc2,0.8562784737321718
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.2469777858898716
O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.13451197691231725
COC(=O)c1ccc(cc1)CN(N=O)C,0.8548718667150403
Nc1cccc(n1)N,0.4305037722836692
O=C=Nc1ccc(cc1)N=C=O,0.5443187706037198
ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.933676814307446
OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8451480972961946
ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9452557454663844
COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.5325496139066732
OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7574232038447315
NCCN1CCNCC1,0.38861796606407956
Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.7691306763801068
O=NN1CCN(CC1)C,0.6440731462408439
c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9512266893724908
[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.735987717041581
C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.10352147408166608
OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9698668734444913
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9589811015808953
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.26143656838353896
c1cnc2c(c1)ccc1c2cccn1,0.8370700915041905
BrCCC(Br)Br,0.6558711320147544
CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.6282565625367137
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8656017086012588
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.8326681646277283
Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.5275906552020366
CC([N+](=O)[O-])C,0.8185332020804291
NCCCNCCCCN(N(N=O)O)CCCN,0.9489102157973781
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.21328174745323555
O=C1C=CC(=O)C1(Cl)Cl,0.7455519473610445
Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.33715356792295453
C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.10744966365561716
COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.42117600053051313
c1ccc2c(c1)c(OCC1CO1)ns2,0.8925678576623086
O=C(C1OC1)NCc1ccccc1,0.8074790846252198
c1ccc2c(c1)occ2,0.37934452931090323
CNC(=O)ON(C(=O)NC)C(=O)C,0.51971499188159
Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8815685365403626
Cc1ccc(cc1)Br,0.1071152676136671
Nc1[nH]nc(n1)N,0.31457405901502894
O=C/C(=C/c1ccccc1)/C,0.505362304914559
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.35426389354571186
CN[C@H](Cc1ccccc1)C,0.1381264368100508
Cc1c[nH]cn1,0.31631143854716853
O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.613782078581953
Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.9104373152146242
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.9150191666542478
CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.3105564515352766
[N-]=[N+]=C1C=NC(=O)NC1=O,0.47976306987521333
c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.8513616875505148
CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.7913117689737162
O=NN1CCCCC1,0.7099663843549481
Oc1cc(=O)[nH]c(n1)N,0.30321554124182865
CCCCOC[C@H]1CO1,0.6260139975470473
O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.1803924011416309
COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.7818543050473525
C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.11623763896345239
O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.22580422352577262
Nc1ccccc1S(=O)(=O)O,0.09766734859203213
C=CCOC(=O)CC(C)C,0.06214004270982315
Nc1nc(N)nc(n1)N,0.34915579683594294
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.18457520495739393
Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.5941137287090341
Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.0857468390586695
Cc1ccc(cc1)C(C)(C)C,0.04315133084178825
Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9104373152146242
CC(=C)C1CO1,0.797343257571231
ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5397319383725775
[O-][N+](=O)c1ccccc1C(=O)O,0.5630761637745565
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.02417865585243427
Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9296376032738677
BrCC1=C(Br)C(=O)OC1,0.9204359178190717
[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9873627909747694
O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.5512155639825186
OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.1140473214916777
COc1ccccc1c1ccccc1,0.309362783217514
CC1=CC[C@@H](CC1)C(=C)C,0.021189863229831952
ClC(C(=O)O)Cl,0.658062302967085
O=Nc1cccc(c1)c1ccccc1,0.8447598333355953
Cc1cc2cccnc2c(c1)C(=O)O,0.1615423481853591
COc1ccc(cc1)CC[C@@H]1OC1,0.8427645885932941
OC(=O)CCc1c[nH]c2c1cccc2,0.08767414726735864
O=NN1CN2CN(C1)CN(C2)N=O,0.8348447765531692
O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.40057237273504387
O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.09633346528077176
COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.8058173818721917
Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.66897173302123
COC1CC(OC2C(C)C=CC=C3COCC4C3(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,0.40075158511786096
CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.10017174399934775
[N-]=[N+]=NCc1ccccc1,0.8733855970536227
c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9761518053292905
CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.7826820933031458
Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.2439621078886399
OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.2805434087849845
O=C1C=C/C(=N/C(=O)C)/C=C1,0.836207910571457
CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.7077706130058309
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.12328866391652148
c1ccc2c(c1)c(OCC1CO1)ccc2,0.9353773925709346
Nc1ccc(cc1)[N+](=O)[O-],0.783274443591599
CNc1ccc2c(c1N)cccn2,0.772085165312188
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.3461500441649258
NCCC#N,0.316515109603286
COc1ccc(cc1)N=O,0.7891653981373747
Cc1ccc(cc1)C[C@@H]1OC1,0.6448166942091244
OC(=O)CCC(=O)O,0.03332196560199571
OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.7531274369555886
CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.6590163296831243
OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.7109793627390928
O=NN1CC[C@H](C1)O,0.9147928871278287
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.6327330968924196
COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.7189401096570647
N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.017123199027170844
CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.049142598324170596
O=C(C(Br)(C)C)NCc1ccccc1,0.16364986688252658
CC1=CC(C)(C)Nc2c1cccc2,0.37943904006735707
O=C(C(C)C)Nc1snc2c1cccc2,0.2939130521915458
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9449927928214932
O=C1C=C(C)C(=O)C(=C1)C,0.5536316915871785
[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9673106553082131
[O-][N+](=O)N(C(=N)NN=O)CCC,0.8552912976483827
CC(=O)c1ccc2c(c1)cccc2,0.7589633975322323
CCCCOC(=O)C(=C)C,0.20277131065700957
CC/C=C/1\OC(=O)c2c1cccc2,0.19911001592016775
Clc1ccc(c(c1)C)N,0.8164365820315466
Oc1ccc2c(c1)nc([nH]2)N,0.3035659326105532
COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.860112220199634
NC(=O)C1CO1,0.843520113969705
ClCC(=O)c1ccccc1,0.7020824219948452
OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.07128878427899864
O=CC(=C(Cl)Cl)Cl,0.6429885483374085
CC(COC(=O)C(=C)C)O,0.2612528965151656
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.010071524856383702
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.6346968911874423
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.9024254246808169
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.5210238719506828
COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.35540467782931207
Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7824969254290831
CNC(=O)CSP(=O)(OC)OC,0.6514944530582544
[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.6612495483189267
ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.8461606995160418
COc1cc(Cl)c(cc1Cl)OC,0.14633305573500582
CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.11160111958733962
COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.5999748321582271
N#Cc1ccccc1C,0.2555332987786891
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.7055323123356214
COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.22645399856935422
Oc1cccc2c1OC(C2)(C)C,0.07847777366258513
[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.8784621280210052
O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.8904218441460198
CC(=O)Nc1ccccc1C,0.32364052956157047
CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.04560491647451138
CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.08025507371039177
OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8729353790901371
CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.49227937109278314
CC(c1cc(ccc1N)c1ccccc1)C,0.6157016265285227
OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.15900854123114805
CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.12815545059967623
O=C1c2ccccc2C(=O)c2c1cccc2,0.6091034320459539
CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.4592206878716802
[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.6261492639306973
CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.39350382800030925
CCn1c(N)nc2c1ccc1c2cccn1,0.9260239852323443
CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.10370314721442951
O=CCC=O,0.37941374845140297
BrC(C1=C(Cl)C(=O)OC1O)Br,0.9591868487029356
C=C1CC[C@H]2C[C@@H]1C2(C)C,0.01996104980216344
Oc1cccc(c1)[N+](=O)[O-],0.6072698849010331
C=CCNCC=C,0.3185343908995754
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.009604493172521728
[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.7469074324705435
N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.3296399760483814
OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.1306118114071587
ClCCOC/C(=C\Cl)/Cl,0.9293129848205874
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.09182196573754846
Oc1c2ccccc2nc2c1cccc2,0.4330411222697565
CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.07592350546783087
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8546639342588604
Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.3338990127114696
CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.04738351841866866
N1C(=O)C(=N#N)C=NC1=O,0.7500544977007947
Clc1nncc2c1ccnc2,0.4466138906680392
COc1nsc2c1ccc(c2)N,0.9284128730512898
O=C1CCCC=C1,0.13844051036906893
COc1nsc2c1cc(N)cc2,0.5813384578681873
CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.6533075428285017
ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9727349204450634
Clc1nncc2c1cncc2,0.41399766814337624
Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4148425127060036
Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.8797684528621913
[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.8899611550819911
N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9456113932191512
NS(=O)(=O)c1cccc2c1nccc2,0.3395298650178644
OCc1ccc(cc1)C,0.19264462285118278
ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.37660427998955226
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.1631623001901331
C[C@@H]1CCC(=C(C)C)C(=O)C1,0.044335502845976656
C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.5803708545364568
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7608625575584794
N#CC1(O)CCCCC1,0.014268772719061878
Oc1ccccc1,0.07912544344350368
COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6239569286119278
c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.85383278996375
COc1ccc(c(c1)OC)N,0.4815205278178776
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.8752116221776928
OC(=O)c1ccccc1.[Na+],0.07049771906221901
Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.8137230184132109
CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7968267619020066
CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8238051282546612
COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.3364535689868451
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.8196168540908004
Cc1ccc(cc1)N(C(=O)C)O,0.6092147922185581
COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9279380627705928
CCC#N,0.10870875084387628
O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7019038024474091
CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.950733187053639
CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.20969311599523124
Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8880271702341194
O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.10313114522136407
CCOc1nc(NC)nc(n1)N,0.23171877918486922
CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.08825929842259912
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.11835909359251752
NC(=S(=O)=O)N,0.8120754355422731
N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.2504635465953312
OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.4067799426475471
Ic1cc2cccnc2c(c1)C(=O)O,0.12786650297239682
C=Cc1ccccc1C=C,0.14076021886820195
CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.1655738721195365
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7493804458541262
CCCCCCCC/C=C/CCCCCCCC(=O)O,0.0109368846440658
CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.2787240379809966
ClCC(C(=C)Cl)Cl,0.7083729338978192
O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.7743816743655603
On1nnc2c1cccc2.O,0.44195016986083235
NC(=O)CNC(=O)C=N#N,0.9732852487032516
CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.008896665964723757
OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.6921917450391504
[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.9238624642966161
CCOC(=O)C,0.3404169282078882
OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7830320508731246
Clc1ccc(c(c1)C(=O)O)O,0.16185303096918835
Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8780582237474147
Nc1nc(nc(n1)Cl)NC(C)(C)C,0.12721895885426554
CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9488812550109219
[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9620576565392148
[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.800457219337009
ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.9259592033440562
O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.7275060082056447
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.7239623793017392
O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.7781364357739695
Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.843024433191633
CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.2715786874255043
COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.10741507318434716
CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.8741817177296558
CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.5912589508442824
CCCCCCC[C@@H]1CCC(=O)O1,0.11029529448652207
CCNC(=S)NCC,0.12149503979169937
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.45726078012107174
O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.15642361251190168
OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.48737291618031925
OCC1=CCN2[C@H]1[C@H](O)CC2,0.3768266015980157
COc1cc(C=C)ccc1O,0.14487436234524081
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.11626712506814191
Brc1ccccc1c1ccccc1,0.23311451440604908
O=CCC(CCC=C(C)C)C,0.17244583277511852
CCCCCCCCC=C,0.054986158020655936
Clc1cccc(c1)Br,0.13859321537040598
Cc1ccc(c(c1)O)O,0.3003890474789717
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.2804573528188799
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.8031479771409167
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.6439283017999118
CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.08112508236329592
C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.01126243400709606
CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.3337016930780431
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.28200715517550984
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.13650969478987068
Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.45065003885705535
O=NN1CCNC1=O,0.9396947984747304
Oc1nc2c(C)cccc2nc1O,0.4064454403314056
O=NC([N+](=O)[O-])(C)C,0.9160595795237523
Cc1cc(C)cc(c1)C,0.10389974439415639
Clc1cc(Cl)c(c(c1Cl)O)Cl,0.05936662337334176
OCCOCC,0.21273553331333783
CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8246510254338818
N1CC1,0.31242052423698863
OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8480064292312823
Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.6761735515057837
Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.498518127800441
COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9767052551983156
CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.7441569437497376
OS(=O)(=O)ONNCCc1ccccc1,0.23532299229525122
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.1646004066083997
BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.7754806681931389
CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.6461689045668989
OCCc1c[nH]c2c1cccc2CC,0.28109679575030966
O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.9305430980738203
Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.5039744390604254
OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7219001904587018
CCOCCOCC,0.09688133318793403
O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.03747226161644099
C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.6382319330669107
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6270834453607891
O=C/C=C\c1ccco1,0.5062553985812882
FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.6739695759246223
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.01995864320567743
Oc1ccnc2c1cccc2,0.23355306424558384
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.06873804460606213
CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.8054374504238498
OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.27807612131069875
COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3265295712085502
c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.4823770757900484
CNc1snc2c1cccc2,0.5921500546079348
BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9680726565616474
CC(c1ccc(cc1)NC(=O)N)C,0.29279436412078186
O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.6724437235664928
O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.06284604640703917
CC(=C)C=O,0.46592292252617545
O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.06500062668656283
NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.8789797636018826
CC(CCOC(=O)C)C,0.18094885685017223
CCCCN(CCCC(=O)O)N=O,0.6250546006245359
c1ncc[nH]1,0.2739614945083862
[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.8338661761374856
CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.034614228376186364
CC(=CC1C(C1(C)C)C(=O)O)C,0.08205178514661257
OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.16415403409162987
CCN1CCNC(=O)C1=O,0.4388932915601919
[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.7469188407271347
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.3925614972369847
[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.9667347725727999
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9490959460262326
COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.4343612679003924
Cc1cc(O)c(c(=O)o1)C(=O)C,0.17141202010569503
OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.47080934462475066
CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7730196301139908
CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.18754837394130588
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9713257199641763
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9649705506408862
[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.8102741300502667
Oc1ncnc(n1)O,0.0921695005914833
Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.013132125928720175
COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.5325496139066732
BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.3278305073251683
BrC(C(=O)O)Br,0.6269981883734403
CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.19679209072670137
C1CC[C@H]2[C@@H](C1)O2,0.15456849960218835
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8822153619951356
CC(Cl)(Cl)C,0.033278239155225334
Nc1cccc2c1nc1cccc(c1n2)N,0.9271873535315281
CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.22199260508766258
O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.09476472068852708
[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.912699183929088
C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.3877875476646018
[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9424575219854501
ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.962460289477371
OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.2741407114500506
CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.7633800515935802
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.9398809248921207
N#C/C=C/C#N,0.6052379899905787
[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7304888680773637
Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.936602031009422
OC1COC(=C(C1=O)O)C,0.164784985975146
OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6287519096099832
C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.5056751505258537
[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.8688591341161352
O=CC(=O)C,0.6808744223682378
Oc1cnnc(n1)O,0.08982294571377171
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.050914894474607376
COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8923458337971834
O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.9467161054356684
Nc1ncnc2c1cnn2CC(CN=N#N)O,0.9159646475114078
CCCC(=O)c1cc(O)c(cc1O)O,0.24748604636530036
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.03498559755395335
OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.7281985281755129
OC(=O)c1cccnc1,0.06232073902790897
Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.7473347614966268
ON1C(=O)CCC1=O,0.22134748042084962
OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.08389300741786865
CC1CCN(CC1)N=O,0.7292481613859029
CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.08510384232671796
CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.03389211941317703
CCCCCCCC1CCC(=O)O1,0.11029529448652207
OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8649762857801068
OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.10773072995931528
O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.658092538094339
N#C/C(=C\c1ccco1)/C(=O)OC,0.2246869612656216
O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8960499415669353
CCCCOC(=O)c1ccccc1N,0.13959069036103544
Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.8940463667912529
CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.05214457109567057
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.08598873871967781
COCCOC,0.16693881400113406
Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9054800484683163
Clc1ccc(cc1)Cl,0.07867841779268213
Cc1c[nH]c(=S)[nH]c1=O,0.33359509073145643
O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.045771753094335246
CCOC(=O)CCl,0.8071270064679428
O=C(C(=C)C)OCCOC(=O)C(=C)C,0.4872042712281825
Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.20568835363751645
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.03311840405939951
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.313974217780555
Clc1ccc(c(c1)C)O,0.42326887859462564
CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.0791769964977866
N#N=NCCC(C(=O)O)N,0.9478738965812993
NCCN,0.6883343690479424
C[C@H]([C@H](O)C)O,0.11901765070444015
O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.8276231506159659
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.10303109630159694
O=C(C(Br)C)NC(C)(C)C,0.7000479193571112
NCCNCCN,0.7645000158373584
CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.7152672370766864
Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8944471317869488
COCC(=O)Nc1c(C)cccc1C,0.3487193022557955
CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6694414259759437
C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.12333315325959801
CC(=O)Nc1ccccc1,0.1558621868194804
Clc1ccc2c(c1)nc(n2C)N,0.720144347743794
COS(=O)(=O)C(F)(F)F,0.45684482236962365
CC(=O)OCN=[N+](C)[O-],0.6938596083155467
NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.36784676573660463
Oc1ccc(cc1)O,0.10584216042078495
O=c1[nH][nH]c(=O)c2c1cccc2,0.2145219737461705
CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.7371967643911113
Nc1ccc(cc1)CCc1ccc(cc1)N,0.5465154278095169
Nc1cccc2c1c(N)c1c(n2)cccc1,0.8766367390244637
S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5952654493703053
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.15572412650297446
OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.18484760452849044
Nc1cn[nH]c(=O)c1Cl,0.6716495372730884
CC(F)(F)F,0.018644540593952746
COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.6542628479687714
Nc1ccc2c(c1)nc1c(c2)cccc1,0.898414840031477
Oc1cccc(c1C)O,0.22495589523258394
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6560725724244263
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.06162138534530852
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.9826776135955527
C([C@@H]1OC1)Cc1ccccc1,0.8780677006323196
CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.4496667317501596
CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.22585527215691464
C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.13022666766722507
CCCCOC(=O)/C=C\C(=O)OCCCC,0.36764017184049264
OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.8452493783307454
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.2058579067137841
[O-][N+](=O)c1cnc(s1)N,0.9055015355751526
[O-][N+](=O)c1ccc(o1)CNCCO,0.8153491888842536
CCCOC(=O)C(=C)C,0.2432824616961021
BrCc1ccccc1CBr,0.538559448344606
Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9539808079822439
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7525685114630349
OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.18916709604655363
NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9664420391200002
C=CC(=O)OCCOC(=O)C=C,0.45470312910537675
Clc1ccc(cc1)C(=O)Cl,0.2257099308539018
CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.014582446961043286
[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.8989990255228242
O=Cc1cccnc1,0.2104645352723576
CNc1nc2c(n1C)ccc1c2cccn1,0.8403896236137248
COC(=O)c1ccc(cc1)C,0.20737161277181418
OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.02207615589353583
O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.2493165663361448
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.8314217659026175
CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.058773527136442745
c1ccc2c(c1)[nH]cn2,0.4412164200186434
Oc1cccc(c1)N(C)C,0.2603906985034195
ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.936931856012542
CCCCCCCCCCCCCCCCCCO,0.05057070442071779
OCCN(C(C)(C)C)CCO,0.08644225767346314
O=NN(c1ncn(c1C(=O)NC)C)C,0.8385102084544505
COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.4371704080848962
ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.96743901794604
C[Si](N[Si](C)(C)C)(C)C,0.08788529860907303
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.010481889301143401
COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.026196057635725613
Fc1cccc2c1c1cccnc1cc2,0.7403070906020414
CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.006213432126088256
Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.8688876413164447
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.12632439112126295
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5876292782250975
O1CCOCCOCCOCCOCC1,0.2419820298619635
CCCCCCCCCCCCCl,0.23570404926994865
OC1C2OC2c2c(C1O)cccn2,0.3407923904854591
OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.8846678474680275
Oc1cc(O)cc(c1)O,0.1494353601396046
Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.5886156787557784
O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.35923560781309793
S(Cc1ccccc1)Cc1ccccc1,0.24062685679821047
CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.1483394685642203
c1ccc(cc1)N/N=N/c1ccccc1,0.781173585732025
O=C/C=C/C=O,0.613945099646195
CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.04118951739462061
COc1cc(CCC(=O)C)ccc1O,0.2767562262887246
O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8747083694741059
CCNc1nc(O)nc(n1)NC(C)(C)C,0.03902350922539917
Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.3522316800166373
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.06674429784574697
CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.6961602237870764
COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.504985631632023
ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7963174272869145
Clc1ccc(cc1)S(=O)(=O)C,0.15465813838348688
CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.020194180954076744
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.3064990181986799
CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.13055507778783157
COCC12OOC2(C)c2c(O1)cccc2,0.42524097665852456
Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7576585491120589
CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.8291235710537084
COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.945929944223559
c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.6551719024222119
Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9580735523369239
CN(CCN(C)C)C,0.07936306888663167
O=Cc1c(Cl)cccc1Cl,0.2699858470847831
O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.6745123657080476
OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.07875704574873704
ClC(C(=O)C(Cl)Cl)Cl,0.7679396102673965
O=CCCCC=O,0.5682716733888042
CSC(=O)c1cccc2c1snn2,0.5171537313501866
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.27464630517001104
COc1nc(NC(=O)N)nc(c1)OC,0.24016151732613034
O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.40586968456083966
[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9882703103812663
Cn1cnc2c1ccc1c2cccn1,0.9175127754667953
C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.05583994323202746
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.1132660275599339
OCCN(C(=O)N)N=O,0.7807502410510178
CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.0900200442969598
[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9857146570971199
BrCC(=O)c1cccc(c1)OC,0.5807719743091256
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.21243014004973587
Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.7415032674148488
CC(CCNc1snc2c1cccc2)C,0.4004921306147054
CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.7595451106787376
O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.0656708458712484
Nc1ccc2c(c1)cns2,0.6700735235884935
BrCc1cccc(c1)CBr,0.6339467393783202
CN1CN(C)CSC1=S,0.20083212145369822
Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.17141202010569503
ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.7459915971675893
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.4769367326583923
n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.9147581473540065
CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.08418160040675916
COCCO,0.09194895673028253
CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.18194488299895417
Cc1ccc(cc1C)S(=O)(=O)O,0.10782541159160276
C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.13787542910721565
COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.11541424961435616
CC(C1=CC(=O)C(=CC1=O)C)C,0.3133884389538729
CC(S)C,0.40184022399617725
Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.3213701279137957
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.945451142380325
COC(=O)C1=CCCN(C1)N=O,0.8058503440080113
c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9761021718505541
O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.12670760149036914
OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9097871418629464
Nc1ccccc1,0.3266638464102827
COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.510035368312458
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.30586671469931737
C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.10216794130820873
C[C@@H](c1ccccc1)CCc1ccccc1,0.13075029996093387
Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.24866181045209582
O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.2597478994766082
Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.8907012573405171
CC(=O)OCN([N+](=O)[O-])C,0.8984285921259781
C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.10735581375105847
C=C[C@@](CCC=C(C)C)(O)C,0.08817631164810759
CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.1720541911824474
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.15847429469403804
O[C@@H]([C@H]1CO1)CO,0.8379107787434651
COc1cc(C=O)c(cc1OC)OC,0.2650330822434858
Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.804866413041197
c1ccc(cc1)c1ccc(cc1)CC1CO1,0.8228849572089235
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0925727280412408
ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5297409253198342
OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8371215300808568
CCCC(C(=O)O)CCC,0.014481223049264318
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9357453161883037
[O-][N+](=O)c1c(O)ccc2c1cccc2,0.8893189820852004
OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.6398682409815284
Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.7497531330505319
OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.9033011510446322
C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.5053707114366679
O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.4258122657114337
CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.2979518947302481
OCCc1ccccc1,0.1566149676422794
COc1c2cccc(c2nc2c1cco2)O,0.6731232969918506
Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.5611815620992873
CC([N+](=O)[O-])(C)C,0.5544303068547024
Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.7456845162836299
c1ccc(cc1)NNc1ccccc1,0.42462446647324575
O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8719471213944813
ClCCN(CCCl)C,0.5674195649584124
COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.12104227237360975
CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.37082486982609614
CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.2932135790728464
C=Cc1ccc(cc1)C,0.11123956383052762
NC[C@H](N)C,0.5065989718765919
Cc1ccc(cc1)[N+](=O)[O-],0.6447664755741029
CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.5398654492978332
C[C@H](CO)Cl,0.44163724971615653
BrCCBr,0.7015970156870621
CON,0.5735481345269465
O=c1n(CC2CO2)sc2c1cccc2,0.8489390455847761
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.11657971730275092
CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.05639119842799169
COc1c(C(=O)O)c(O)nc2c1cccc2,0.13281496003648743
Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9494847091074566
COP(=O)(SC)SC,0.3573652749607824
C1C/C=C/CCC2C(CC/C=C\1)O2,0.7520780504235126
C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.7416762679247269
[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.29636261385597495
CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9623706591801642
ONc1cccc(c1)C,0.5241217057272599
OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.17932436678514507
CC(=O)OCC=C,0.15307349301237613
NC(=S)c1c(Cl)cccc1Cl,0.17800752656522692
O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.4380393773809122
ClCC1=C(Cl)C(=O)OC1O,0.7986733408704078
ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9645750027026438
CC(C(=O)N(Cc1ccccc1)C)Br,0.5837426410816847
Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.016793791185462887
Oc1ncnc2c1cccc2,0.26875405300791333
O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.2296537377814615
O(Cc1ccccc1)CC1OC1,0.8350885284386618
Cn1c2ccccc2c2c1cccc2,0.9479237196189388
Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9632630610827652
COC(=O)C=C,0.17515473515964025
Oc1ccc(cc1)c1ccc(cc1C)N,0.64465746513254
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.07839866364227938
CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.5943259056600144
c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.9218810529646105
O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9607523715243212
COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.23989522413093858
O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.5724735033107371
COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.897364397999724
Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8109199479225468
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.21872683731163184
Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8904455624396181
Oc1ccc2c(c1N)cccc2.Cl,0.7951752281039353
Fc1cnc2c(c1)c(F)ccc2,0.39751981530483893
S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6940166946313417
O=C(Nc1ccccc1)Nc1ccccc1,0.11953156201390977
CN(C(=S)N(C)C)C,0.4835956678914574
CCCCCOc1ccc(cc1)N=O,0.6002546533620285
COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.8644154817225489
Clc1c(Cl)ccc(c1Cl)Cl,0.15927700041537554
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9383411474256181
Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.8443422989373477
Brc1ccc(cc1)[N+](=O)[O-],0.4347888191007169
CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.10679932545563495
O1OC2c3c(C1c1c2cccc1)cccc3,0.8333155262861077
CC1=CC(=O)C(=CC1=O)C,0.3567789479405336
CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.05263343335952434
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8964244682133328
COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.5460232099117979
CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6648743408793985
O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.8087072223417773
COc1cc(ccc1OC)CC1CO1,0.7064343467620658
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.4223433980816868
CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7371699089304374
Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.33599148260881845
OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.037539882367950424
COc1ccc(cc1)[N+](=O)[O-],0.7561849573574024
C=CN=Nc1ccccc1,0.3948330787591307
N#Cc1ccc(cc1)C,0.2145069170065228
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.2050318032979754
Nc1cccc2c1c(N)ccc2,0.8590531970816593
O=C1CCCO1,0.2921851148396492
OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.12022357770646777
OCCCN=N,0.7031524502784212
CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.4984956445220047
n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8908159662058914
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.15407366774663012
CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.7099052609220816
Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9049353872766415
OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.042479113843431573
O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.6429350554145244
Clc1cc(Cl)c(c(c1)Cl)N,0.6285511227997925
Oc1[nH]cnc2-c1cnn2,0.0954546695514261
O=c1cn[nH]c(=O)[nH]1.NCCO,0.10176960350592443
O=C([C@]1(C)OC1)Nc1ccccc1,0.8272526075442382
c1ccc(cc1)/N=N/c1ccccc1,0.5751402848387829
CNNC,0.5756418349046449
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.19063655914752958
CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.6980080500126286
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.09991851549792122
O=CC(=C(C)C)Cl,0.3892794841896142
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.47420496728074535
Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.10774475844188416
[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.7347582736117158
Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.3093266983460971
COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.4578572682708202
c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.8463331772445498
ONc1ccc(cc1)C,0.5736872691017832
[O-][N+](=O)c1cccc2c1nccc2,0.8528228319517954
O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.7341708024393032
O=C(C(=O)O)C(=O)O,0.10526511311145158
OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.12365992096213638
CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.8207576641216773
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.6421588560888317
O=C1CCCCCO1,0.03667656779004592
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.08740418412023432
Brc1ccc2c(c1)C=CC1C2CCCC1,0.4884342650696788
CC(=O)Oc1ccccc1C(=O)O,0.2191105689541171
OCc1ccc2-c1cc(ccc2C)C(=C)C,0.3638072477248468
N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.23330417225066488
C(Sc1ccccc1)CSc1ccccc1,0.1215088350539344
ClCCSCCCl,0.9388616147387392
Clc1cc(Cl)cc(c1)Cl,0.06254531932577709
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.25101362331452265
COc1cccc2c1OC1(C2(C)OO1)C,0.4178744607076987
c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9730400553137103
ONC(=O)Cc1cn(cn1)N=O,0.5966173668459422
Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.23613014560146778
Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.5913885398370311
Nc1cc2ccccc2c2c1cccc2,0.9440744881323053
O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.23879184072712012
COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.19102862207181043
OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.10609548684880202
n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8703773310103076
OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.013977177291007357
CN(c1ccc(cc1)N)C,0.6389150885791011
CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.541591243543717
BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.5288395965900126
C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.8402675807368442
CCCCN(CC(=O)CC)N=O,0.7949992221153693
CCN(c1ccc(cc1)N=O)CC,0.7974819048781187
CC(Oc1ccc(cc1)Nc1ccccc1)C,0.528078603127144
O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8554209591750757
[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9677794565029909
Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8720672689247331
CCCCN(CCCCO)N=O,0.8184172833089194
OC(=O)c1ccccc1C(F)(F)F,0.0558934272110687
Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.871367458737312
COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.46060303981033246
O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.039841156688089095
OC(=O)COc1ccccc1,0.07791202304288712
OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9280170832909289
NCCc1ccc(c(c1)O)O,0.43064043503364907
Fc1cnc2c(c1)c(N)ccc2,0.6794403974700539
Nc1n[nH]cn1,0.453562296184843
COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.051415634896339546
CCCCCCCCCCCCCC[C@@H]1OC1,0.3926940597116906
COc1nncc2c1cncc2,0.5308808611385212
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9891179170529072
CC(C#N)O,0.2087588432795207
CCCCCCC(=O)O,0.06287121215879762
ONC(=O)CNC(=O)c1ccccc1,0.32617842571356936
ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.6542932971816163
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.24279176161917285
CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.19406390049913483
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8563660257362492
ClCCN(C)C,0.3824401606509166
CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.05127140481636089
[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8930706542728999
CNCC(c1ccc(c(c1)O)O)O,0.3667820382093555
C[C@H]1CN1,0.6410854113945784
BrC[C@H](c1ccccc1)Br,0.5485005132687119
Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.19397998384598492
ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.4099703873315064
Cc1cccc(c1)c1nc2c(o1)cccc2,0.3828558100316889
[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.7963467528447465
CCOP(=S)(SCCl)OCC,0.6638034526676054
CCOS(=O)(=O)c1ccccc1,0.3094989189399156
CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.13861328533571082
CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.858024574298018
CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.806207029156322
COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8174483244654697
CCOC(=O)CNC(=O)[C@H](Br)C,0.7682569820722012
CC(Cl)C,0.18082761161426744
OOC1(C)c2ccccc2-c2c1cccc2,0.9154277707540105
O=NN1CCC(=O)CC1,0.6612096394209208
Cc1c(N)cccc1Cl,0.769144913806957
Oc1cccc2c1cccn2,0.2771264733531164
CCC(CO)(CO)CO,0.034453618749535876
O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.8943460871418697
NC(=O)c1cnccc1C(F)(F)F,0.1885091143009232
CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.05473614462800727
COS(=O)(=O)F,0.6729146495369712
CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.37401220892383236
CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.7718297942478184
Fc1ccc(c(c1)F)N,0.517084753831729
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.09037692946423513
O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.6988095719563265
CN(C[C@@H](Cl)C)C,0.5554753333262142
OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.2320800767975866
COc1cc(ccc1O)CC1CO1,0.7912661454107897
OC(=O)C[C@@H](C(=O)O)Cl,0.35444471366034636
O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.569488301048542
COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.12934805084511294
CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.024496667695115534
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.7687185998090973
OC(=O)/C=C/c1ccc(c(c1)O)O,0.27946208826295627
BrCCSCC(C(=O)OC)NC(=O)C,0.7431068857219655
[O-][N+](=O)c1ccc(c(c1)Cl)N,0.8245496718870868
COP(=O)(OC=C(Cl)Cl)OC,0.4683810809701668
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.050969360467531276
CCCCN(C(=O)N)N=O,0.8857504692683745
COc1ccc(cc1)CC=C,0.14625097186373567
C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.0060953317410171685
Cn1c(N)nc2c1cc1ncccc1n2,0.909884202328591
O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.9726893571087756
CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6142436931226759
OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.20118124713002744
Cc1cccc2-c3c([C@H](c12)C)cccc3,0.39648898117106973
N#N=NCC1OC(O)C(C(C1O)O)O,0.9352057606227042
OCCOCCOCCO,0.38295412712271754
CC(c1ccc(cc1)C(C)(C)C)O,0.06471480743243985
ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9740532058332756
COc1ccccc1N.Cl,0.4730109873548858
Clc1cccc2c1c1ccccc1o2,0.5986465781819647
OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.19607562647013402
Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.10033008721472567
O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.20235111239487413
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.17994680296330845
[O-][N+](=O)c1cnc(n1C)C,0.6727643811754324
OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.7639138599684638
Cc1cc(=O)[nH]o1,0.48307153746366355
ClC(=O)Cc1ccccc1,0.17429550373724328
OC(=O)CC(C(=O)O)O,0.06762638073354207
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.8833890031079411
OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.2840382129953436
Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8329036992734108
CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.6922177338493514
O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.41851653160281854
CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.595945870371936
COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.1665365896804529
Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.8988806377704728
O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.8700899892755392
C1CC23C(C1)(O3)C=CC=C2,0.5282403955400132
OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.46535817086426273
CC1=CC[C@H](CC1)C(O)(C)C,0.04058176150132581
O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.24289771428654086
CC(OC)CCO,0.0975348904784932
COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.7743686036576423
CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.77777216970378
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.6830106577640701
CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.708328358886151
CCOCC=O,0.3832392456117251
Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.738199664370933
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.49751740054970794
COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.4364247785786718
CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.12058225401555112
CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.03720947477387147
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9831934805558914
c1ccc2c(c1)cncc2,0.6300026368814451
COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.011243339409527302
[O-][N+](=O)[CH-]C,0.7052760159747764
ClCCN(c1cnc(nc1O)O)CCCl,0.629793090615512
Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.1004187115516596
BrC(C1=C(Cl)C(=O)OC1)Br,0.9560861536930334
Oc1ccc2c(c1)nc(n2C)N,0.6708360369905995
COc1c(Cl)ccc(c1C(=O)O)Cl,0.14626766711663325
OC(=O)C(CC(=O)c1ccccc1N)N,0.22383878352577316
CCCC[C@H](CN)CC,0.06826251894936469
COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.5618765289329631
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.916723180665359
CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.39061728050355843
CC(=O)OC[C@@H](CO)O,0.2567670301335667
ClC/C=C\Cl,0.9135063207339683
Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.599189668802783
O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.7201988166556476
OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8698468210430931
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.03822249484608786
NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.15929352880507372
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.1116027163467127
c1scc(n1)c1nc2c([nH]1)cccc2,0.7576845482878041
Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.518546545698855
OCc1ccc(cc1)C(F)(F)F,0.1795521994315419
O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.38990669567802955
CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.08690300814219253
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9891727707506154
CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.806008403579742
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.14359903001233937
NC1c2ccccc2-c2c1cccc2,0.6958501890995945
OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.13292130815874378
O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.18078127615804057
OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.4571773586446721
COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.41653991387638817
CN(c1ccc(cc1)N(C)C)C,0.39667130864752226
O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.22588098088975458
O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8807018045894498
O=NN(C(=N)N[N+](=O)[O-])C,0.8215492534441574
COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.8973343071453527
Clc1cccc(n1)Cl,0.22746447651429086
CC(O)C,0.049908558016120326
[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.44427881972673505
O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.15347874205014606
Nc1cccc(c1)[N+](=O)[O-],0.7262277183239484
Fc1cccc2c1ccc1c2cccn1,0.7991703019471841
CC(OC(=O)C(=C)C)C,0.22482771131794366
N1CCN(CC1)c1ccccc1,0.611917176492218
CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.011868477955186505
CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.6719530434399561
CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9396403383811939
CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.2141417282249569
OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.33195351124477784
OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.1516321408713172
OCC(C(C(C1SCCN1N=O)O)O)O,0.5617634780816834
CNc1ccc2c(c1C)ncc(n2)C,0.6554617895968031
C1CC2CCc3c(C42C(C1)O4)cccc3,0.6055289737510284
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7344458623785751
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5649366538881893
COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.22070746863529292
Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7052045575791691
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.6081561709922618
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.712739197604364
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.7449944898593054
COC(=O)C,0.2307668123377659
O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.9254049040969426
ON1CN(Cl)CN(C1)Cl,0.4636027791777614
OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9438877004924817
OC(=O)/C=C/c1ccc(cc1)N,0.21671722403594493
Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.38199924509642785
CCOC(=O)NNc1nncc2c1cccc2.Cl,0.2787036760461764
Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.09800536334473389
CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.7814922533478426
OCC(CO)(CO)CO,0.04092163485134864
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.8763101182737618
Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9538484909398638
CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.3262103523216337
O=NN(COC(=O)C)C,0.8926014338341406
Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.9121838071806285
[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9456507640907379
O=NN1CCN(CC1)N=O,0.9255386840615506
CN1COCN(C1=N)Cc1cnc(s1)Cl,0.03200895098707023
COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.43669554290532114
OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.9391280449076845
NCC(=O)O,0.12754846131650519
Nc1ccc(cc1)O,0.3240190768575369
O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.37057610577797667
O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8820322120426751
OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.8234744972116986
c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9374281335903765
CC(=O)Nc1cccc(c1C(=O)O)N,0.5360744175668914
OCCC(C)C,0.0204744933194139
c1ccc(cc1)N=Nc1ccccc1,0.5751402848387829
Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.43556998898043003
CC(=O)Nc1cccc(c1)N,0.46740600551990696
Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.06616742357916851
CCCN(CCCC(=O)O)N=O,0.627782114397247
CC(c1ccc(nc1)C(F)(F)F)O,0.0753900274724581
CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.07848741008377731
Nc1cc(Cl)c(c(c1)Cl)Cl,0.4926692233173329
Cc1cc(C)c2c(c1)ccc1c2cccc1,0.7708756301194079
O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.7132459448632208
COc1nc2c(CBr)cccc2nc1OC,0.45394157316978584
NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.5595531092786099
ClCC1=CC(=O)OC1,0.8514982808385193
CC(O[P@@](=O)(F)C)C,0.09813243566592361
C=CC(=O)OC[C@H]1CO1,0.8521022191677389
CCCCCCCCCCCCOC[C@@H]1OC1,0.6998784027534684
BrN1C(=O)CCC1=O,0.8944130869209485
OCCCCO,0.07818078029907899
Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.7243591367302735
CC([C@](C(=O)O)([C@H](O)C)O)C,0.08903562464206917
O=C1c2ccccc2CCc2c1cccc2,0.1213446718322361
Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.2696160407773744
O=NN1CCC[C@@H](C1)O,0.8347161263157777
CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.178736231268024
Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.6849668649620967
COc1c(OC)c2occc2c2c1ccc(=O)o2,0.6325883423222053
O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.054960841945342856
Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9712885292146753
N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.8352604673156456
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.43616454495303647
OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.07211393822131767
Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.22562707395990278
Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9301043259546122
OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.23425373417939255
O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.09360087177624968
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9316877669072955
OCC(Cl)Cl,0.8406666270505329
NC(=O)O[C@H]1CO1,0.9178314129664528
O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.25027597433181087
NC(=N)c1ccccc1,0.2687746969337658
Sc1[nH]cnc2-c1ncn2,0.25084930865072924
Cc1ccc(cc1)N(C)C,0.5341094930803298
Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.8469176449289109
c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.8932167205684179
Nc1ncnc2c1ncn2C,0.7923635706958586
C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.01132199302527953
Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7372417886026725
O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.7854465045172544
COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.733964001359333
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.9394383123774283
C(C1OC1)Cc1ccccc1,0.8798834920127843
CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.535034306813625
CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.0796420136375871
COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9244553478157838
COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.8875768722343106
CCCN(N=O)CCC,0.7177227739154163
OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8641526733613071
COc1c(N)cc(c(c1C)N)C,0.6333182582268363
CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.037642766805387515
CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9242746055971229
COc1cc(ccc1OC)C[C@H]1CO1,0.7064343467620658
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.11386637128434736
c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.8646022062228658
OC(=O)CCCOc1ccc(cc1C)Cl,0.06736416711708533
CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9435035065149686
C=CC1CC2CC1C=C2,0.05402245136217848
[O-][N+](=O)[C@@H](CO)C,0.647333624345249
CSCNc1ccccc1C(=O)C,0.4618190594549915
Nc1cc([N+](=O)[O-])c(cc1F)N,0.7482003074157725
CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.03720947477387147
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.3846353808135245
Clc1ccc2c(c1)oc1c2cccc1,0.6079924582151143
Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.8940542084324141
CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.6156800270631075
CN(C(=O)NC)N=O,0.868250496824843
Cc1ccccc1c1ccccc1,0.43275852099104806
Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.2364038834500876
COC=C,0.12613218084875677
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.7370520060542273
CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.8458351655230387
[O-][N+](=O)c1ccc2c(c1)cccn2,0.9373174226532407
CC(C(C)C)C,0.10174824593727484
Cc1ccc(cc1)CC[C@@H]1OC1,0.7907775909909704
Nc1ccc(cc1)c1ccccc1,0.7139482840834421
C[n+]1cccc(c1)C(=O)O,0.052006563573930256
[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7881288620964955
Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9329966099148792
O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.3221907707451012
ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.911237164835664
BrC(C1=C(Br)C(=O)OC1)Br,0.9752354856706617
c1scc(n1)c1nc2c([nH]1)cccc2,0.7576845482878041
COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.7970400582255912
COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.757501813878802
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.20181179564767188
C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.09463251032503069
CCCCN(CC(c1ccc(cc1)O)O)N=O,0.7752163805998623
Nc1ccc(c(c1)C)C,0.44409246297852634
O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.13397708155538413
CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.4972066539398335
ClCCP(=O)(O)O,0.6910454217804628
CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.06838682921777707
CCN(c1ccc(c(c1)O)N=O)CC,0.8054794837963312
OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.04698613574426929
ClCCC(CBr)Br,0.866107395735224
CN([N+](=O)[O-])C,0.7909936932972619
O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.5016391455542075
ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.4868680470372622
COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.5507378017403789
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.799659332798057
C=CCN=C=S,0.44763845535226593
Fc1ccc(c2c1ccc1c2nccc1)F,0.6738093314130694
Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.8551861294590125
Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.16202802647132702
OCCc1cn(c2c1cccc2)N=O,0.9252700191703204
CCOCOCC,0.15476633760781264
CC(C[C@H](N)C)C,0.08031517053490006
CC(=O)N(C)C,0.5941804893880088
COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.18649949691024195
COc1ccc(cc1)CN(N=O)C,0.8752847294804456
Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.7333367146600879
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.11319157096824212
[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.74501557211177
Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.8016650738979558
ClC/C=C/CCl,0.8418981741831782
C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.14846479509232702
ClCc1ccncc1,0.7176109518763529
CNC(=O)c1ccccc1,0.17564175210102287
BrCCOC(=O)CC(C(=O)OCCBr)O,0.8123554524670806
CCCCCCCCCCCl,0.13837304539747117
Cn1sc(cc1=O)Cl,0.7662901313524229
BrC1=C(Br)C(=O)OC1,0.7879812078811211
Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5049450462019314
OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.2640333648611611
CCOC(=O)N(N=O)CC,0.8674177830494268
CC(OS(=O)(=O)c1ccc(cc1)C)C,0.17289583684390578
C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.4524401871334968
CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.15190505897241569
COC(=O)c1ccccc1N,0.322348146765761
ClC[C@](CBr)(Br)C,0.6187607506435846
COc1ccccc1CC1CO1,0.759438399786964
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.5920510474523936
OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.07810956620049082
CN1CCC[C@@H]1c1cccnc1,0.06761706580634358
SCC(C(=O)O)NC(=O)C(SC)(C)C,0.22251917307238525
CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.6357387964972112
Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.7625949463246766
ClC[C@H](Cl)C,0.548951554043497
O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.5139266694689089
[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.9114745502549833
N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.8377826458623645
Cc1cc2c(NC(=O)CCl)snc2cc1,0.6745544636872067
COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.6569273877152025
Oc1ccc2c(c1)cc[nH]2,0.27109514097297316
[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9756293535959303
CNC(=O)N(C(=O)NC)O,0.20667803371045046
Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.887542257396781
OCc1ccc(cc1[N+](=O)[O-])N,0.7566313066369945
CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.550924217346671
CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.16356363099401292
[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7992965158737513
OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.3620049028814991
CCCc1ccc2c(c1)OCO2,0.4387217942325214
Nc1cccc(c1)C(F)(F)F,0.47686080085941424
CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.17724706240342938
CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.6178206130101114
CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.7587940586486869
Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.7254787387215
CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.07929427490608602
BrC(C1=C(Br)C(=O)OC1O)Br,0.919361913521976
COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.1162256889689414
CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7738404834304402
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.20513497496838184
NCCCNCCCN,0.6562737972063766
OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.7466018461414405
O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6589651805979657
CCOC(=O)CNC(=O)C(Br)C,0.7682569820722012
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.9482181804881952
COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.1782389192983272
OC(=O)c1cccc2c1snn2,0.5715450720018642
ONc1ccc2c(c1)cccc2,0.9073584918015211
c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.685283242825487
N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.5993839308281985
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9778230295001296
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.06261380810568533
N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.6381662504830973
COc1nsc2c1cc(OCC1CO1)cc2,0.9468138810060692
Cc1ccccc1c1nc2c(o1)cccc2,0.3596488902118053
Oc1ncc(c(n1)O)F,0.0919144826950664
CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.07231043617171753
CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.2637205770630946
OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.7274672436118561
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.013870814256694291
CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.6427261376394897
C1CCC2C(C1)CC1(CC2)CO1,0.4119454801064889
CNC(=O)Nc1cccc(c1)C(F)(F)F,0.156120780476179
CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.7219859197600264
C[n+]1ccc(cc1)c1ccccc1,0.1338258649736809
NC(=O)Nc1cccc2c1nccc2,0.4354229176482407
ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.47663442219060276
CCC1OC1c1ccccc1,0.6618299764321072
c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.8899124908544755
CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.6753415900137434
[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.4829885815489299
Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.4015930159739883
Sc1ncnc2c1[nH]cn2,0.33244137658279105
ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.6912048755154996
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.7681209534144487
O=CN(c1ccc2c(c1)cccc2)O,0.9331265530880741
COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.7564313992483889
CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.7930808118764
C1CCCO1,0.09402434461446169
OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.29014484661253714
CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.41936921206838407
FC(C(C(Cl)(F)F)(F)F)Cl,0.3358020125529259
CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.6264678581937204
O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8191259653431099
CCCCCN(CCCCC)CCCCC,0.056855915351490746
Nc1nc2c(n1C)ccc1c2ccnc1,0.9313178007209422
OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.023340419957248004
C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08182852909497265
CC(=O)Nc1ccc(cc1)c1ccccc1,0.5931573288569041
Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9413076914323186
OCc1ccc(cc1)[N+](=O)[O-],0.8356682316640717
COCCOCCO,0.276628607189166
O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.15253347879231774
OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8908779500970918
Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.91502664053836
CN1CN(C)CSC1=S,0.21490976345087082
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.02034214293684871
O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.563838926512954
CCP(=O)(OCC)OCC,0.3227573117381662
OC/C=C/Cl,0.9317604885599926
OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.13194052476682244
O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.44611599601787466
O=NN(C(=O)C)C,0.9077401654001028
OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.10233647365047939
OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.7424993046261572
N#C/C=C\C#N,0.6384425443266721
O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.738318652366616
CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.3081251798597902
Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.3279649707261374
CC(=O)N[C@H](C(=O)O)CSCCCl,0.7094532665413807
C/C=C/C=O,0.4684992624946007
OC(=O)C(CC(=O)O)(CC(=O)O)O,0.056838044910612034
CCCSSCC=C,0.18442152885031135
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.08050531294552646
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.07224210052072305
Brc1ccc(cc1)c1ccccc1,0.12053487385240182
Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7408389476069936
N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.6055444276552732
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.5808157220448914
[O-][N+](=O)c1ccc(o1)c1cscn1,0.9474425109211244
S=C1NCCN1,0.19691694060298431
CCC(=O)O,0.060982995115834084
O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8035700347859651
Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9535029558141315
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.19921963969582968
Nc1ccc2c(c1)c1ccccc1n2C,0.9681758773952731
OC(=O)CCC(=O)CC(=O)C,0.22534994050776602
OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.6588442417385768
O=C(c1ccccc1N)OC1CCCCC1,0.07372490814563236
CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.2747700553048473
OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9485271831248795
[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5857062561134435
Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.1050203194930788
ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.44865490748334386
COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.10329292302046243
CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.39257782055483165
CCc1ccco1,0.3578636626142826
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.14780207983230903
[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.35274878703660406
CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.6183052180513778
C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.01995750180626411
CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8911994907439523
CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.7056007895081731
CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.2112135618510118
CN(CCN(c1ccccc1)Cc1ccccc1)C,0.364943693389521
C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.25707698249420236
Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.6966780799895834
NCCNCCNCCN,0.7231255003275923
[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9795119832115419
NCP(=O)(O)O,0.11454035572031207
COC(=O)CC(=O)OC,0.11004167079550979
CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.032398968247700353
Nc1ccc(cc1)Nc1ccccc1,0.7695473350323364
C/C=C\C=C/C=O,0.6474729155062476
OC(=O)c1cccc(c1)C(F)(F)F,0.04640511636765626
CC(C[C@H](O)C)C,0.026634710637748738
Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.564277383490792
COc1ccccc1N,0.4730109873548858
COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9564277597432822
OC(=O)CCN=N#N,0.8199258689021075
O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8006304073989652
CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.8543650175651604
Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.6409686818849607
CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.29860123784705267
CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.34546129933197184
ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.2007329791246022
FC(n1c(C)n[nH]c1=O)F,0.6197767361413863
O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.34297965205972136
OC[C@H](CN(C[C@H](O)C)N=O)O,0.8104555826516638
O=C=NC1CCCCC1,0.3160035291139535
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.945681917311631
Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.899044302568722
Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.8583442503113445
OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.22846970808185296
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9393413449326021
C[C@@H](ON=O)CC,0.8258257323788663
Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.603935792420302
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9644863237607396
Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.9603376561836292
CC(CC(=O)C)C,0.055232004131415886
CCCCCCCC(=O)O,0.03164818960947233
Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9561644281088908
COc1cc(ccc1N)[N+](=O)[O-],0.8642247605972111
OCCN1CN(CCO)CN(C1)CCO,0.14955828058497872
OC(=O)c1ccc(cc1)N,0.21951312742003662
CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.3248278384035924
COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.21446554767682435
Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8660213196077562
OC(=O)c1ccc(cc1)C,0.09968694899234197
Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.07995534626663361
O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8062099859578175
ON(c1ccccc1)C(=O)C,0.45135110483315105
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8568558501525494
O=CC(=C(Cl)Cl)C(Cl)Cl,0.9185203782932434
OCCCl,0.8354928635304122
CNC(=O)CSP(=S)(OC)OC,0.42090573246082996
Clc1cc(N)c(c(n1)C(=O)O)Cl,0.14356739600426444
COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4430445837152996
Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9745014857767614
OCc1c2ccccc2cc2c1cccc2,0.8203624410036366
[O-][n+]1cccc2c1C=CC1C2O1,0.7842985477457475
OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.1937602838545208
c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.9004278937619083
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.08035883707788073
c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.8188333107901606
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.44772698936918526
Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.8831505925838449
O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.18124668978974673
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.09671020146875133
COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.198269713407529
CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.4203229247696244
CCCCCCCCCCCCCCCCCCN,0.11295253623202184
Cc1ccccc1Br,0.06511707504988881
COC=O,0.6632723386570043
OCCCCN(CCO)N=O,0.9322575016437142
COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.30191652840225985
CC(=C)C#N,0.16012825938485675
BrCC(=O)Nc1ccc(cc1)C,0.7962535919424952
Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9455404922234125
CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.0728739429212509
Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.9164132553872094
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.12680497051120912
NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.12958033779264536
CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.1344621301458822
O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8641526733613071
CCCCON=O,0.8745639791561761
Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9198495534126363
Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.8609750178019018
CC1CCC2CC1C2(C)C,0.06546036152907761
CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.7444191694429528
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.15369736347874688
O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.29024166176120586
CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.4304661989310885
COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7989711150803603
O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.23858834023916178
CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.26156518135220186
CC(=O)n1ncc(c(c1=O)Cl)Cl,0.6720329267289422
OC(=O)c1cccc(c1C)[N+](=O)[O-],0.5068394925704613
Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.8867113717909623
O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.7000613888083054
CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.049000767500421816
CCC(c1ccc(cc1)O)(C)C,0.052743427328457125
SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.49988809033324116
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.8757828680667014
CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9247838929927216
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0330725330320839
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5946522370042852
CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.07069387062707681
ClCCCBr,0.9037555761658859
OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.44197104878560406
ONc1nc(N)nc2c1nc[nH]2,0.49086043214502934
OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.09739536144362557
[O-][n+]1c[nH]c2-c(c1N)ncn2,0.4337996891137936
OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.344648553795208
Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.3390809415333305
OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.021818466646803616
[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9816706222517408
Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.8254596684577602
CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.6810121307385815
OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.5519781053984455
OC(=O)c1ccccc1S(=O)(=O)N,0.07552011299426348
Cc1c(C)cccc1N,0.5951335928729872
CCOC(=O)CC(=O)C,0.2571436170758206
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.967599372529488
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.16508251289025752
OC1C=Cc2c(C1O)c1cccnc1cc2,0.7185696589151387
Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9314540593138068
Clc1ccc2c(c1)nsc2N,0.7404025998377333
CCCCB(CCCC)CCCC,0.006130821610023511
O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.2556741053101273
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8685033214036408
O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.0541271579102516
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8398501097485457
COC(=O)C(CSCCCl)N,0.826513779587621
CNCC(=O)O,0.07024155603962953
Sc1ccccc1,0.11110308220154262
CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.013499820667948458
CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8081334066576883
Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9632630610827652
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.8637249531815443
CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.6187048915969265
c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7324627222545772
[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.5045896697817113
O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.9128692110123683
COCCl,0.8284261311438839
CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.16838946530256485
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.03936879721443988
COc1cc(/N=N/c2ccccc2)ccc1N,0.920794286536305
Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7514544887983924
COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5025409754424653
CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.6645381526300257
O1C2C1c1cscc1-c1c2csc1,0.9632969329455789
CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.0023086063686436667
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.8962758128463854
SCCc1cnccn1,0.21212854945505838
CN(CCN(c1ccccn1)Cc1cscc1)C,0.19260179147945705
C=COCC(F)(F)F,0.08275288473413507
O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.8811160757077316
OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.16376969002843791
[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9778528197157496
NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9595367599672324
Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6320467510492792
OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.9097376355973097
CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.008007297426332473
ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.7851717240212437
OC(=O)CCC(=O)O.[Na+].[Na+],0.033328069263459235
CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.8869444657525637
CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.08602655501618015
OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.32261103527170326
OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.831524435522984
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.7140430341772783
OCCNc1ccc(c(c1)O)C,0.5969593987859292
C[C@H]1CS1,0.9044306773429936
CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.6346639979065394
Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7208013686180705
CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.01889037761337442
Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.9463132734392086
Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.239542203481135
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.12273597282552622
Clc1cccc(c1)c1nc2c(o1)cccc2,0.18226646557019457
CNCCCC(=O)O,0.12312917473792917
CCSCCOP(=S)(OC)OC,0.32616023764174185
Cc1ccc(cc1)NN=NCc1ccccc1,0.7916243581358382
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.35105418411984823
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9286150743048726
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.1327113859967939
Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.97209262881511
CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9929851988932935
Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.12959436394227103
ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.7420717656083431
O=C(c1ccccc1O)Oc1ccccc1,0.1453512129115205
Nc1ccc2c(c1)s[nH]c2=O,0.5931071929966614
CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.6674398088807701
BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.9323510161379226
CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.26404065914534836
[O-][n+]1cnc2c(c1N)[nH]cn2,0.5796231448013845
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.13269469302438217
O=NN1CCSCC1,0.9129234946400617
N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.07893085319889216
Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.016793791185462887
Cc1cccc(c1)N,0.4735800450392012
Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.7761153495265383
Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.18352942759999116
Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.5306467011376156
CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.8843311167247173
OC(=O)Cc1ccc(cc1)N,0.1188374164721721
c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8756856236432826
Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.6525720675603607
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.8912269262566237
Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.019846643850625827
COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7603125961420751
CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.7696153320783796
OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.4077541142204083
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.1484871475498094
CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.13700276983246992
O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.33990397342782536
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.6006326963785573
Cc1cnc2c(n1)c1ncn(c1cc2)C,0.9007839516466937
ClC(C1=C(Cl)C(=O)OC1)Cl,0.8951159285219381
BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.7494789272496368
CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.714446481929381
CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.10208519202762582
N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.015238940399047468
c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.5561551036456951
c1ccc2c(c1)snc2,0.5159145385777255
O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.332609113077696
Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.9253960065295419
Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.1696349008585797
CN(c1ccncc1)C,0.34318962259394215
COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.7397147991449936
O=C1CSC(=S)N1,0.10840784370773678
CCOC(=O)C(=O)C,0.4701662900826519
OCc1ccc(cc1)Cl,0.30108688775427195
Cc1cccc2-c3c(C(c12)C)cccc3,0.4129527062715818
Sc1ncc(c(n1)O)C,0.14222809349110813
C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.4315508517690376
OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.552011474875602
COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7567894910300889
CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.6895706420077182
Nc1scc(n1)c1cccnc1,0.7795262393142668
Fc1c(F)c(F)c(c(c1F)Cl)F,0.03251775605544979
Cc1nsc(c1)N.Cl,0.5076586658130596
CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.12134875812540948
OC(=O)CCCCC(=O)O,0.07109428540634234
C[N+](Cc1ccccc1)(C)C.Cl,0.05070422283870645
N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.7276991933125061
OC(=O)C1CSSC(C(=O)N1)(C)C,0.00702538466051645
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.04553527658456592
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.6879903346633229
O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.04358846252790186
CC=C,0.03670498382427755
COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8873949059053295
CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6713348234494189
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.15476055061375227
C[C@H](C(=O)NCc1ccccc1)Br,0.6651501978566838
CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.018607561555588133
NC(=O)CCCCC(=O)N,0.5527790830078902
C[C@H](CN)O,0.05363891252636272
ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.8648542349845991
O[C@@H](c1ccccc1)C#N,0.10316277064826719
O=C1CCCCC1=O,0.14717873057692513
Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7419022824868869
O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.04663728228112291
CCc1ccc(nc1)C(F)(F)F,0.04866785191601259
CC(OS(=O)(=O)C)C,0.5083875495567494
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9225349393245305
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.2540467176817573
OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8270909951851231
Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.4241036406692967
CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.26881357693463953
Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.6177336290592131
c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.8972371910055496
OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.937391949245558
ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.3877539931918664
C=Cc1ccncc1,0.13916058941985043
O=C/C(=C(/C(=O)O)\Cl)/Cl,0.14747406973377974
OCC([N+](=O)[O-])(CO)Br,0.845713532427958
COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.5308704618218362
CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.1512488674942472
Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8999972033322534
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.31895971360465564
[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9789311501245341
Cc1ccc(cc1)/N=N/N(C)C,0.6411183074939989
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.8685079579339605
Nc1ccc(cc1)Oc1ccc(cc1)N,0.6189535205333192
Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9686671202861529
COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.13803359533648746
COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.42630284890236686
Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6950729789674807
C[n+]1cccc(c1)OC(=O)N(C)C,0.15623648328055226
CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.17062870785981432
Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.8429942005448815
CC12OOC2(C)c2c(O1)cccc2,0.45885028495712404
COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6731273784674903
Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.18388132757178408
[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.547351467981539
OC(=O)c1ccccc1,0.08099252338963127
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9251477901751751
Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.5401249654579755
Cc1cc2ccccc2c2c1c1ccccc1cc2,0.8771091495692256
O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.12250954150214971
COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5265041796290576
O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9574877157079246
CNC(=O)ON,0.7471279338620834
CCCCN(CC(OCc1ccccc1)CO)N=O,0.7942114667124829
FC(C1=C(C=N[N]1)C(=O)O)F,0.1915127519054097
OC(=O)c1ccc(cc1)C(=O)O,0.0872112662411325
Cc1c2ccccc2cc2c1cccc2,0.8104763785844601
ONc1cccc2c1cccc2,0.8465406928460492
Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7921234166428212
C=CCc1ccc(cc1)O,0.26051699888674446
CCOCC(=O)O,0.3586863536317454
CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.12899336593454916
Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.15805537623826582
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.9064022944428264
O1CC1Cc1ccccc1,0.5976366302875731
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.07943586644021035
Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.18962762850393738
C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.35102349338362027
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.1841569959212885
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.07847039620600865
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.07341567284601253
CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.8500615997727221
Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.34362015590936484
CCCCCCNCCCCCC,0.20820072740058806
O=NN(Cc1ccccc1)C,0.8079330789851852
CCNCC,0.12605149453363867
Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.882208551568299
Cc1ccc2c(c1)cccc2C,0.401769367286306
OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.22618679715192158
CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.2190085174308347
CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.25316410131700345
ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.013909110054238989
ClC(=O)c1ccccc1C(=O)Cl,0.4574791556595373
OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9178254605307476
OCCC(CCC=C(C)C)C,0.09917818067290031
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9316683830427187
Clc1ccc(c(c1)C(=O)O)Cl,0.09869680774704169
N[C@H](C(=O)O)CSCc1ccccc1,0.14761515378605475
CC(OC1OC(=O)C(=C1Cl)Cl)C,0.33264547443015263
COCCOC(=O)C,0.28939100029965337
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.24744100744405023
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.032360250139801185
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.13604983530345865
N#Cc1cccc(c1)[N+](=O)[O-],0.7447945389952487
O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.2959967196024251
O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.8372959992747728
O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.12176404324007149
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9672130210249266
CN(C(=N)N(C)C)C,0.3093991923896773
COc1cc(OC)c2c(c1)OC1C2C=CO1,0.2594961072150338
Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.28902280619390797
NC(=NC(=N)N)NCCc1ccccc1,0.3333619734597745
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.924728098537539
O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.7397653857792617
C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.02338723957088984
CC(=O)NC(C(=O)O)CSCCCl,0.6894722260526666
Cl[C@@H](c1ccccc1)C(=O)Cl,0.5043132977601895
COc1c2ccccc2nc2c1cco2,0.43461610303182185
OCCCBr,0.9478798436419643
OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.2973093163849215
ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.1672231549041226
O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.025589656284758136
n1ccncc1,0.21169442496404026
CC1(OC1)c1ccc(cc1)Cl,0.5245487815541681
OC(=O)CP(=O)(O)C,0.018905272850512536
O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6361127341069834
COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.6999064200225847
N#[N+]c1nc[nH]c1C(=O)N,0.8325462976294997
CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.3546705494261734
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9789014353535526
CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.4293973890475384
NC(C(=O)O)COC(=O)C=N#N,0.7398733265915101
CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.3591080236572356
Clc1ccccn1,0.36811224732809533
Nc1nc(N)nc(n1)Cl,0.5747740026754224
OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.030143343870173676
CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.8258118061693509
Cc1cccc2c1-c1ccccc1C2C,0.5285070433372411
ClCc1ccccc1,0.5115543546582975
O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.7777085125595161
O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.6265407172371291
CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.2411853851979283
Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9637123445784247
CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.05909104051617384
Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.6510996453263608
O=c1ccc2c(o1)cc1c(c2)cco1,0.7005043342733236
OC(=O)c1cccc(c1N)O,0.3458223543670079
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.2279898139764033
Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9112257824795833
CC12CCC(C2(C)C)CC1(C)O,0.008003841987545455
OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.7184202125161856
BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8951503630481314
FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.2552891778863161
CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.22091213384969297
Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9657809394204523
OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.48061134772850733
OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8418096094036575
Nc1cc2nc3ccccc3nc2cc1O,0.8584826499290635
[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9688878848578134
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.23240634879775735
c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9440607462348279
CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.3699311120070153
NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.07565026221887934
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.02315549473445752
COC(=O)c1ccccc1NC,0.2511703035211829
OC[C@H]1CCCO1,0.2612761272016324
COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.10581631478728656
Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.846207163626903
CC(=O)Nc1ccc(cc1)C(=O)O,0.14900946029940762
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9257745785858483
O=NN1CCNCC1,0.8887719731193044
O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.5718032363784011
CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.846456577397272
[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.79232235064736
CCOc1nc(NC(=O)N)nc(n1)NC,0.23133629051830407
CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.08479894782740217
CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.3058724724892566
OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.10349299742052066
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.17862637925113337
C=CCC[C@H]1CO1,0.8397679805299765
C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.052171443342943234
S=c1scc(s1)c1ccccc1,0.04952904234753604
Brc1cc(Br)c(c(c1)Br)O,0.11996385726362714
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.3018664524749904
O=C(C(=O)c1ccccc1)c1ccccc1,0.15393546328081006
CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.715674831794504
Cc1cc(=O)[nH]c(=S)[nH]1,0.1407078709742018
Cc1ccc(cc1)/N=N/NCc1ccccc1,0.8530817372248557
N#Cc1ccc2c(c1)nc([nH]2)N,0.624408297826981
C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.3073075407562649
OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.19698726444940617
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.05429122039918608
CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9290914137753068
OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.18120753105933834
BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8784020403489913
Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.4569127323327367
COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.6632149296703007
Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.10413204080954148
ClCCNc1ccc(cc1)CCCC(=O)O,0.3348403168350971
O=NN1CSCC1,0.9551329517186165
C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.8432613009746501
c1ccc2c(c1)[nH]cc2,0.543837321069894
CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.03639302815061888
C1CNCCO1,0.1335853718848701
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.25196104692260174
O=C(c1ccccc1)/C=C/c1ccccc1,0.27644101644245694
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.7369614690932612
N#CC1=Cc2c3c1cccc3ccc2,0.5490940812303833
CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8786768499193193
Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.634354020153153
Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.22648532980213038
COP(=O)(OC)O,0.18243051507769495
CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7961414378990688
O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.6846082041265568
BrCCOC(=O)C=C,0.8555341750743071
CC(COC(=O)c1ccccc1N)C,0.22741066599338136
CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9523153240707726
C#CCOCC[n+]1ccccc1/C=N/O,0.24755105453573245
CCCC(=O)Nc1snc2c1cc(C)cc2,0.2354935370756135
O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.9806629614717496
OC(=O)CC[C@@H](C(=O)O)N.[K+],0.16528352997006698
Oc1ccc(c(c1)C(C)(C)C)O,0.16737445787754063
OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.8149118568881477
C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.012695788955023862
Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.857803441555521
COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.12478531388123694
CNc1nc(OCC(F)(F)F)nc(n1)N,0.24621391380332008
O=NN1CCCCCCC1,0.8273330392221526
O=C1c2ccccc2C(=O)C1(O)O,0.13004099657693813
OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.4863175123568904
Fc1ccc(c2c1nccc2)F,0.2604026087982394
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.39628058244877346
CC/N=N/O.[K+],0.8694422265124698
[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.9363062419552143
COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.08945303883808836
NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.08355834217872897
Oc1cccc2c1cccc2,0.4443913614393678
c1cccnc1,0.43621832933400756
O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.5951003197146768
Cc1ccc2c(c1)nc([nH]2)N,0.33419735377092474
CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.4947338267789605
Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6473638540354
[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.27400290053738613
OC(=O)/C=C/C(=O)CC(=O)C,0.3758059479436147
[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.3722237503722515
OC1CC=Cc2c1nccc2,0.26662985092324404
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.6017318125248338
CN(/N=N/c1ccc(cc1)Cl)C,0.5518155224658992
O=C1CCCCCN1,0.07504914834005949
O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.18501874704406895
O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9881954788962428
CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.21116213825677202
CCNC(=O)CC[C@@H](C(=O)O)N,0.17534288542459867
C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.017121185404308875
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9557590742576321
CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.7329360300512648
COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.17196288887526232
N#Cc1cccc2c1nccc2,0.4210818020431456
Nc1ccc(c(c1)[N+](=O)[O-])N,0.8495464245341776
[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.7498540446459536
C(C1OC1)CC1OC1,0.7207971105442349
OCC(=O)CO,0.178738121785881
N=C(NC(=N)N)NCCc1ccccc1,0.23499360450279252
CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.12557407090470632
CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.4641619115474291
CNc1ccccc1,0.321635510206365
COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.7380217817028427
CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.2302149310984539
NC(=S)Nc1cccc2c1cccc2,0.8923168309469685
Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.8410220095243239
N#CCC[C@H](C#N)C,0.17785482278066292
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.6173799265854911
O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.8068291341351811
c1ccc(cc1)c1ccccc1c1ccccc1,0.4249313760759142
N#Cc1ccc(cc1)C1(C)OC1,0.8424485604262971
COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.6424983881093322
[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.6253971187052694
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.2779434304689157
OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.2847678083368441
Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.827820047501312
ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.6351732209137517
Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.1617721903376432
CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9249115044193391
CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.15751071980031495
O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.09665398818380196
Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.23634030310911794
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4340156197017364
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6620235752697904
Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.1134684724235746
Nc1ccc2c(n1)c1ccccc1cc2,0.9378633191776546
C/C(=C\C)/C#N,0.3209978578823764
N#N=NCCC(c1ccccc1)c1ccccc1,0.6596472277647001
Nc1ccc2c(n1)cccc2,0.7272885715728272
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9119078812824366
Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8714698034339644
O=C(C1OC1)Nc1ccccc1,0.8473461978279139
O=c1ccoc(c1O)C,0.4786828966145114
CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.28594167216710814
Nc1cccc2c1cccc2N,0.8787772657643875
OC1C=Cc2c(C1O)ccc1c2cccc1,0.6657710795256173
COc1cc(C=O)ccc1O,0.43063807590221076
O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.24530455890888997
[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9643161793055908
ONc1cc(C)cc(c1)C,0.5841231539916393
Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.8844363479227673
O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.7612329457409716
COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.24374662501856592
Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.7850916572782506
Cc1cc(nc(n1)N)C1CC1,0.6036546217827585
O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8866396980026574
CC1CCCC2(C1(O)CCCC2)C,0.02987066188193112
c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.5715067098405372
Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9314954188818971
O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.19683618987612747
CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.297008774288054
NC1=N[C@@H](CS1)C(=O)O,0.1671833919408559
CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.7964078661719765
O=NN1CCOCC1,0.8848300348018875
ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9144852354041226
C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.4126924818638274
O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.37695345373877276
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.17779764980489365
OCc1ccc(cc1)C#N,0.3665064031434245
CSCCC(C(=O)O)N,0.21908051266912343
Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8897879833798913
CC(=O)OC=C,0.24457658357514186
Clc1cc2ccccc2c2c1cccc2,0.7420537007171897
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.4022892993630931
Nc1ccc2c(-c3ccccc3C2)c1,0.848642849139865
Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.8337434479603675
CCCCCCCCCCCC[C@H]1CO1,0.4674586768677461
OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.9047546465173723
c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.8733086342975728
O1CC1COc1ccc(cc1)Cc1ccccc1,0.9376256649017121
CCCCCCCCCCCC(=O)N(CCO)CCO,0.42789397660868206
O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9678363404989786
OCCNC(=O)[C@H](O)C,0.5607841768845985
COc1cc(C=O)ccc1OC,0.48414785533955657
C=CCN(CC=C)CC=C,0.2656848204688852
O=NN(CCCC(c1cccnc1)O)C,0.3691855586662501
CCCCC/C(=C/c1ccccc1)/C=O,0.281769110788639
Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9011554930640233
C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.1121798481498782
NNc1nncc2c1cccn2,0.8987750874113362
O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9282157030092031
OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.939926162121893
CCOC(=O)N(CCOC(=O)C)N=O,0.8944475916754132
Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6589657140579326
Cc1c(C)cccc1C,0.06509785052735848
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.5027849332076416
CCOC(=O)CC(C)C,0.1428071214193455
Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.43087725212076317
C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.08084565952563941
CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.21147098013550064
O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.9113059008387654
ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.8628805562799094
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.7964110361467749
OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.13271214994558583
Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.3332170398432494
C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.18112781152552326
CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9305898197738036
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.9687106718219334
ClCCN(C(=O)NCC(=O)N)N=O,0.970694549413764
O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9442315902184455
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.39052978047387665
OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8666490997722286
COCCOCCOC,0.25447750337355396
Oc1ccc2c(c1)nccc2,0.25509606736803
CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.10011521807737782
OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.4715967931839302
CC(OC(=O)Cc1ccccc1)C,0.07431186190022934
Fc1cnc2c(c1)c1ccccc1cc2,0.7534243803341849
O=CCCN(C(=O)OCC)N=O,0.899311085808472
CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9907270433769099
c1ccc2c(c1)c1ccccc1cc2,0.8893742186658762
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.03033445831344656
Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.712838034111345
Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6753201736574578
BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.7349597484072927
ClCc1c2ccccc2c(c2c1cccc2)CCl,0.9214668922512564
O[C@H]1C=CC=C[C@@H]1O,0.17498244861374043
c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9052526454525599
c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9742456025707006
C=CC(=C)Cl,0.17138267054619716
N=c1nc[nH][nH]1,0.2308130718185075
O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.6946397529201865
NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.7595266575732736
COc1c2cc(OC)ccc2nc2c1cco2,0.5486421289822461
FC(OC(C(F)(F)F)Cl)F,0.36838181428962047
COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.7487804911540875
CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8978113379436341
BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.6326944929737234
O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.9053664888296364
ONc1cc2c([nH]1)cccc2,0.7161909838860742
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.31038432754815776
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9555666827112441
OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.07757841699606208
Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.42563319378656284
[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.9105726883124915
CCCC,0.20200474991261133
N#Cc1ccc(cc1)[N+](=O)[O-],0.6035909087335677
Cc1ccc(cc1)C(N)C,0.2377169075173771
O=CN(C)C,0.44832295887680707
CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.3331999875696638
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.26681190388681747
BrC(=C)C(=O)O,0.1489135690884999
Clc1ccc(cc1)S(=O)C,0.14188401913370183
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.037492862411795835
O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.7230607966772413
C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.18477277447687465
Cc1ccc(o1)C=O,0.41235628074833863
CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.13953320095285396
O=C/C=C/C=C/C=O,0.6329169737680471
Oc1nnc(c(n1)O)C,0.20640937291596392
ClCc1c2ccccc2cc2c1cccc2,0.939297028761194
COc1cc(N)cc(c1N)OC,0.4868238731948841
CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.12354755202746112
Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.9468475049016261
COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9636671638296935
O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9643810485264716
O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.4703270626539806
C[C@]12CC[C@H](CC1)C(O2)(C)C,0.07704285009820269
Cc1ccc(c(c1)[N+](=O)[O-])N,0.8775379027388565
OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.8375541862073892
Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.04183909975935989
CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7953187479296353
CCCn1c(OCCC)nc2c(c1=O)cccc2,0.21159141130660442
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.18933648561814462
COc1ccc2c(c1)nc1c(c2OC)cco1,0.6487925557294617
CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.8021582320043253
Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.32257254911592814
CCSCCSP(=O)(OC)OC,0.6975494164160352
N#CC(=Cc1ccccc1Cl)C#N,0.6276278289409047
OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5682105286086879
O=C1OC(=O)c2c1cccc2,0.10925296605673201
CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.5181942354067107
Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.22658465739601735
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.05850277103495497
Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.19272511864865216
OOC(C)(C)C,0.4219929695649195
COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.5611763426919435
O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.07461455911167116
O=Nc1nccn1C,0.8700770000352904
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8330383954877242
CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.2509962460919841
OS(=O)(=O)c1cccc2c1nccc2,0.17528411451282905
OC(=O)Cc1ccccc1Cl,0.07174921313734434
CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.7831927315718766
CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([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,0.19633275888414375
Nc1ccc(cc1)Oc1ccccc1,0.47474470974382116
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.0905304038438067
N#CC(C(C#N)(C)C)(C)C,0.037950317862175356
CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.11754233171113686
OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.11003174719239571
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.9245038510314016
N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9546278125210905
O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.06468947725652624
Cn1c(N)nc2c1cc1ccncc1n2,0.885577628789501
CCCCCN(N=O)CCCCC,0.5769707994991404
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.29721001917776513
OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.024492889652206307
CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.09786598357654154
Nc1[nH]cnc2-c1ncn2,0.3866336521200486
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.07034924517224157
NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.7652808422801566
OCCNCCO,0.35499404385997535
NC(=O)c1ccccc1O,0.2857305466004047
OCC(=O)O,0.13120111719178904
c1ccc2c(c1)c(ccc2)CC1CO1,0.9072908790311321
[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.7188078775656632
OC1OC(=O)C(=C1C)Cl,0.43247958408429843
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9313570909274563
CC1OC(C)CN(C1)N=O,0.9164298639580228
COP(=O)(SC)OC,0.8238495138984648
COc1cc(OC)c(cc1C1OC1C)OC,0.6047940311736718
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.28730500846759655
CC(COS(=O)(=O)c1ccccc1)C,0.17697507515257294
CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.12361809067442889
c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9616863443731754
OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.08533606054484691
Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.7696333324459179
CN(c1ccc(cc1)N=Nc1ccccc1)C,0.8763289641120414
CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.1978466090718288
CCCCC/C=C/C=C/C=O,0.5039944563912713
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.45317365639428164
COc1cc(=O)[nH]c(=O)[nH]1,0.3136048849991084
OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.45651427973971703
OC(=O)COc1ccc(cc1C)Cl,0.15389910141592786
Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.9692419531108735
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.22122406065922043
Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.12690882104289464
CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.056560487842285644
NCC(=O)Nc1ccccc1.Cl,0.3537259171629593
COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.8906025723997214
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.4342969292902973
CCCCCCCCCCCCOS(=O)(=O)O,0.11320669517654465
O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.04725615471480124
OOC(N=NC)(C)C,0.9270555928064537
CCCCC/C(=C\c1ccccc1)/C=O,0.281769110788639
CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.09150179039526979
OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.17977647733506674
CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.36622121098176424
CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5735371389929907
CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.20855206192690073
OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.18221082469638628
Nc1cccc2c1snc2Cl,0.88723115375264
NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.6608937909686765
Nc1ccc(cc1)Sc1ccccc1,0.41974145457353673
CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.5232350598535325
Oc1ccc(c(c1)O)C(=O)O,0.12362877477882049
Nc1cccc2c1c1ccccc1cc2,0.9289010790064133
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.9060311489725887
[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.5714550801613085
CC(CC(=O)CC(C)C)C,0.02121734562157428
c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.8973933411595678
O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.3232096618406613
CO[P@](=O)(NC(=O)C)SC,0.6355006392552429
OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6901744392368682
ClCC(CCl)Br,0.8032112288898692
CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.6504876582905843
Nc1sc2c(n1)c(C)ccc2,0.8614896204725963
[O-][N+](=O)c1nc2c(n1C)cccc2,0.8987996081850258
Clc1cc(O)c(c(c1)Cl)Cl,0.09041441151927304
OC(=O)[C@H](O)C.[Na+],0.14378405580765372
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.8198023079011911
COc1cccc(c1C(=O)N)OC,0.13977968963698098
Clc1cccc(n1)C(Cl)(Cl)Cl,0.11959343156441808
FC(Oc1ccc(cc1)N)(F)F,0.3979459400069149
C[n+]1c2ccccc2cc2c1cccc2N,0.9036291585473101
CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.7651072747248138
OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.13879158153871352
OC1=C(O)C(=O)C1=O,0.4047555036774043
ClCCOC(=O)Cl,0.9261039165233815
OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.09175322816507257
COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6719267825906865
CC(=O)NNC(=O)c1ccccn1,0.23758395731989862
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.910994804421114
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.28436189436192383
CCC(=O)O.[Na+],0.05830173847521252
C=CCc1ccc(c(c1)OC)OC,0.3030745918275078
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.3650143689671996
NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.946977201531774
N#Cc1ccccc1,0.10833010847654262
CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.03268147505311702
BrCc1ccc(cc1)CBr,0.3441132888762041
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.07780771763612299
OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.07913944808308236
COCC=O,0.3530285870065403
[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.8761638662096506
Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.862822146621548
NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4874489828171466
[O-][N+](=O)c1nccn1C,0.9248118374616436
CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.09756055934377669
CC(Nc1ccccc1)C,0.19717185763099845
[O-][N+](=O)c1cccc2c1cccc2C,0.9052708867292122
O=C1NOCC1(C)C,0.41759548229524696
Cc1ccc2c(c1)cc1c(c2)cccc1,0.8213965918828141
C=CC(=O)OC(C)(C)C,0.15075922581725693
COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.9585698946407692
Fc1ccc2c(c1)sc(n2)C(O)C,0.5823118708185745
CC(=O)c1ccc(cc1)[N+](=O)[O-],0.8441079205799196
COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8032130098991884
Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.16376801203691588
COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.16032892901641685
c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.7525036773948717
O=C1NCC[n+]2c1cccc2,0.1621238535974105
Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7958165184656169
O=NN(C(=O)N)C,0.8166838684878065
CCN=NC(OO)(C)C,0.8973281642243883
ONc1ncnc2c1nc[nH]2,0.31531428587654
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.32089840832385
Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.8559900689273281
CNC(=O)O/N=C\C(SC)(C)C,0.2507357463990627
[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.7238662885277956
CCC(=O)Nc1snc2c1cccc2,0.21509049526923707
COc1nncc2c1nccc2,0.396151009194259
[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9600498658794859
COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9585985759022517
ClC(c1ccccc1)Cl,0.7446453941686645
OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8434172942903643
CCCC[C@H](COS(=O)(=O)O)CC,0.29895902061363683
CC(C1CCC2(CC1)OC2)(C)C,0.170725731205528
Nc1ccc2c(n1)n1ccccc1n2,0.8269257227190474
CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.5244837915240622
c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9301035181831956
OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.32997722931534135
c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.9466160563115831
OC(=O)C(Cl)(Cl)Cl,0.6197343102411468
[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.982181707572817
Clc1[nH]c(=O)c(cc1Cl)Cl,0.5010043294627522
OCc1cc2ccccc2c2c1c1ccccc1cc2,0.8009725947008882
Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.8928292078390877
[O-][N+](=O)c1cccc(c1N)O,0.8353217546565636
CC(Nc1ccc(cc1)Nc1ccccc1)C,0.680540092354271
ClC1OC1CBr,0.9941823720668072
CN(C(=S)SSC(=S)N(C)C)C,0.47858968576699096
COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8573731019796291
[O-][N+](=O)c1cccc2c1csn2,0.7675188995161527
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.9485575562914498
Nc1ccc(c(c1)[N+](=O)[O-])O,0.7874128375251466
NCC[C@H](N)C,0.2092701684477579
O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9778247114709326
OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8811064167592976
COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.25290975826570733
COc1c2OCOc2cc2c1nc1occc1c2OC,0.5321434286885968
CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.7423280162123824
CNc1ccc2c(c1C)nc(c(n2)C)C,0.6683271507214036
CSCNc1ccccc1,0.2861570186016049
Fc1ccnc2c1cccc2,0.35510312662516536
O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.1667934749394954
CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.1897351485355688
O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.23985164685079205
OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.12403055676179374
COc1nc(C)nc(n1)N,0.17638334888028512
Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.2578886102118442
Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.8329303707563182
O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.8846634086115226
Fc1cccc2c1ccc1c2nccc1,0.7145440672698404
Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.8064463412293886
CCCCCN,0.1120713009068453
Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2271929195740726
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9329334566061275
CC(CC(=O)Nc1ccc(cc1)O)O,0.21390573876143956
NCC=C,0.4484042775849582
O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.05421802177442127
Oc1cc2nnsc2c(c1)C(=O)O,0.44246659640102215
Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9011554930640233
NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.8338752015110485
O=C/C(=C(/C(=O)O)\Br)/Br,0.4144326105971691
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6724903963548616
CCCN(CCCCO)N=O,0.8186285509395725
N#CCc1ccccc1,0.0768533002839841
O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.20390270226314702
CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.1315306860655768
Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.9559257195065461
On1nnc2c1cccc2,0.44887887597016285
COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8947953622607517
OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.33930728493481943
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.32702736115759257
C/N=N/O,0.834266717254265
C/C=C/C=C/C(=O)O.[K+],0.3098758296785194
OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.15780932585763058
CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.11203610633416208
C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9164298639580228
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.8591587725857828
O/N=C/1\C=C/C(=N/O)/C=C1,0.8439560442271664
OS(=O)(=O)c1ccccc1,0.08717932478356566
O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.3272921970688144
OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.55831532997719
COC12OOC2(C)Oc2c1cccc2,0.5499998757243995
Cc1ccc(cc1)[N+]#N,0.9047546465173723
Oc1ccc(c2c1cccc2)O,0.5381798016136389
OC(=O)c1ccccc1C,0.11637633912485215
Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.12239547082117559
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.09794425031483181
OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.3752352946941277
NC(C(=O)O)CSC(C(Cl)F)(F)F,0.14113327084451183
ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9696946632653943
c1cnc2c(c1)C1OC1C=C2,0.6445227254916884
C[C@@H]1CNC[C@H](O1)C,0.23252832197926693
c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9382652176395744
CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7866501101765336
COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.3729162343408878
C1CCCCCC2C(CCCC1)O2,0.3721224788744852
COC(=O)C1=C(C)C(OC1=O)(C)O,0.20259750712606997
CC(CON=O)C,0.9123091116947842
CNc1ccc(cc1)[N+](=O)[O-],0.8406931678277787
Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8204632749155151
ClCCCl,0.3235836505244175
NC(=O)c1ccccc1,0.19831670502094698
CC[n+]1c2ccccc2nc2c1cccc2,0.6664627710859186
N1C2C1c1cscc1-c1c2csc1,0.9804734183388554
OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.7143486529934344
O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.8275474290137373
OCc1ccnc2c1cccc2,0.37900949167781267
NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.7592844765991124
Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.7284912916734171
CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.06418432886406249
C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.036853980784349864
Nc1c2CCCCc2nc2c1cccc2,0.6274026326461528
[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.9448020634771759
Nc1ccc(cc1)Cl,0.5944055696301233
O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9430201315714656
c1ccc2c(n1)C1OC1C1C2O1,0.3935866071849026
NCCNC(=O)c1ccc(cn1)Cl,0.3231225113119622
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.12795966188432897
N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.26178934562127754
OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.40117949371739536
C[N+]1(C)CCOCC1,0.11463029743096047
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.5373958018649273
O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.2412920035988979
CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.2550093504242308
Nc1ccc2c(c1)oc(=O)cc2C,0.5562983605943301
O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.21364168857311416
Nc1nc2c(n1C)ccc1c2cncc1,0.8973356415269133
O=C1CC[C@H](N1C)c1cccnc1,0.12761285566562977
CNNCc1ccc(cc1)C(=O)NC(C)C,0.4375618587480379
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.44688466925212494
O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.6135272972633268
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.23905162365086285
O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8641437572857711
COc1ccc(cc1)CNC(=O)C(Br)C,0.6842746063948736
Clc1nnc(c2c1cccc2)Cl,0.5593027109494292
CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.1658431383886002
ClNc1ccc2-c3c(Cc2c1)cccc3,0.9345310080601744
c1ccc2c(c1)cnc1c2cccc1,0.8654143061457965
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.03356915107115982
O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.052582337981213007
O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.0224042312946851
CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.3704240932315555
[O-][N+](=O)[CH-]CCC,0.5638923169548116
Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.04027320276884688
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.14625381266157708
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.8930366685516802
[O-][N+](=O)c1cncn1C,0.910098502827804
[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9133007814615969
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.6753044725554581
O1CCOCCOCCOCCOCCOCC1,0.2188386356558211
O[C@@H]1OC(=O)C(=C1Cl)Cl,0.6761325631687722
ClCc1ccccc1[N+](=O)[O-],0.8380450513578356
O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.6308376335017091
COc1cc(N)c(cc1N)[N+](=O)[O-],0.91705885964936
O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.20781548687258974
F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.34493774722984283
CCOC(=O)CC(O)C,0.15779127557903183
CC[C@H]1CO1,0.7322153922183611
Nc1ncn[nH]1,0.20532913512672973
CC(=O)Nc1ccc2c(c1)nccc2,0.4134988573788802
OC/C(=C(/CO)\Br)/Br,0.35344848638458265
c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.13141360810903588
C[C@@H]1O[C@@H]1C,0.2751671480705168
c1ccc(cc1)Nc1cccc2c1cccc2,0.6542046436065774
CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.27823780199056486
COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.39784497461511326
Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.04356437675335498
CC[C@H]([N+](=O)[O-])[C@H](O)C,0.4381429101230293
COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.3699718301141935
O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.19575222082573543
NC(=O)c1cnccn1,0.2757104820136428
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.7684558074842867
FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.04298493111996192
Nc1ccc(c(c1)S(=O)(=O)O)N,0.22708232005592704
OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9660744160986494
CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.07273895688422673
N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.129492806398963
CC12OOC1Oc1c2cccc1,0.7292354377253037
[O-][N+](=O)NC(=N)N(N=O)CCC,0.8814986380491192
CCN=C=S,0.41636608673474895
CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.20047249493580047
ClCC(=O)OC(C)C,0.4311539425824964
Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5407806316835475
[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9770775999283231
CCOP(=O)(SC(CC)C)SC(CC)C,0.242075146799339
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.1278230133004718
CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8021582320043253
Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.4771361500376707
CN(N=Nc1ccc(cc1)Br)C,0.5241079157616958
CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.01581449325885095
COc1ccc(cc1)OC,0.15056757446572103
O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.2659817318306035
CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.06044282102979245
[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.029126994323533852
C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.611178270242236
C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9015437379497852
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.47410568088192623
OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7878183304808357
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.04861969722070135
OCNC(=O)C=C,0.24259079868281963
CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.7140991605955799
[O-][N+](=O)c1cccc(c1C)N,0.8974428173929153