path: root/10-fold-crossvalidations/tensorflow/pred_ext.csv

name,pred
CC(C(=O)NCc1ccccc1)Br,0.4898928701877594
CCC(=O)Nc1snc2c1cc(C)cc2,0.5924276113510132
CCOC(=O)N(CCOC(=O)C)N=O,0.5938374400138855
[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.5560699701309204
OC(=O)CN(CC(=O)O)CC(=O)O,0.4432794153690338
Nc1ncnc2c1ncn2Cc1ccccc1,0.6007256507873535
O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.3681044280529022
Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6092429161071777
OCC[N+](C)(C)C,0.37065955996513367
Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.6831573247909546
O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.31026870012283325
O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.5312442779541016
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.6810703873634338
COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.4002860486507416
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.3705919682979584
OCC(C(CO)O)O,0.5327525734901428
CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.3459399342536926
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7896296381950378
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)c1ccccc1,0.23958933353424072
Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.6630510091781616
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.6255063414573669
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.40778952836990356
CCCCN(CCCC(=O)O)N=O,0.3437093496322632
OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.5141900777816772
[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.6680718660354614
O=C(C(=O)O)C(=O)O,0.3878956139087677
CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.5895103216171265
O=C1N(C)CCCN1C,0.4025501608848572
C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.42521029710769653
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.33186766505241394
OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.7321440577507019
CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.38002896308898926
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,0.3532603085041046
CCOC(C)(C)C,0.12344624847173691
CN=[N+](C)[O-],0.6353438496589661
ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.6256593465805054
CNCCCC(=O)O,0.22330744564533234
CN(C(=S)N(C)C)C,0.36159756779670715
[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9634723663330078
c1ccc(cc1)Oc1ccccc1,0.3973234295845032
CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.17890962958335876
COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.5243576169013977
O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.4709762930870056
O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.3395063877105713
Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.6534332036972046
OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.760898768901825
CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.58729487657547
ClCCBr,0.5499880909919739
C/C=N\O,0.5159298777580261
CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.3983609676361084
[O-][n+]1ncc2c(c1)ccnc2,0.5934464931488037
[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.5927997827529907
[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.8502447009086609
CCCCN(CCC(=O)C)N=O,0.5716494917869568
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,0.42358455061912537
O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.6866961717605591
Cn1c(N)nc2c1c1cccnc1cc2,0.7032169103622437
NNC(=O)c1ccncc1,0.6126214265823364
O=Cc1ccc(cc1Cl)Cl,0.45476025342941284
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.4154943525791168
Cc1cnc2c(n1)cccc2,0.5668758153915405
N#Cc1ccccc1C,0.542373776435852
CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.2968675196170807
Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.4604375958442688
O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.6524153351783752
Cc1ccccc1C,0.34533876180648804
CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.5863167643547058
NCCCNCCCN,0.579099178314209
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,0.5011211633682251
O=Nc1ccc(cc1)N(C)C,0.6871532201766968
COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.6303130388259888
COP(=O)(N1CCOCC1)OC,0.6179320812225342
Oc1cc2nnsc2c(c1)C(=O)O,0.41336607933044434
CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.5666943192481995
ClC1=C(Cl)C(=O)OC1,0.3852660655975342
Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8090521693229675
CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.5803553462028503
CCC(=O)O,0.08975788950920105
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.42823734879493713
O=CC(=C(Cl)Cl)C(Cl)Cl,0.5257338285446167
Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.3738314211368561
CC(=O)c1ccncc1,0.4660577178001404
OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.3759804666042328
CNc1c(C)cc2c(c1N)cccn2,0.7841240167617798
O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.7007945775985718
C[n+]1c2ccccc2nc2c1cccc2,0.7878817319869995
[O-][n+]1cnc2c(c1N)[nH]cn2,0.61797696352005
CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.5005456209182739
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.8861358761787415
Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.523361325263977
Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5407487154006958
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.549151599407196
O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8804028630256653
OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.5420814156532288
CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.6555138230323792
O=C1c2ccccc2C(=O)C1(O)O,0.4810207784175873
COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5652559995651245
ONc1cccc(c1C)C,0.535197377204895
N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.42606276273727417
OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.41942745447158813
ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.6901484131813049
OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.30162495374679565
CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.15305379033088684
CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.2264670580625534
ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.5718638300895691
Cc1cc2CCCc2c2c1c1ccccc1cc2,0.7749642133712769
[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.8343574404716492
O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.7477174401283264
C[C@H](CN1C[C@@H](OC1=O)C)O,0.3716621696949005
Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.5949415564537048
CC/N=[N+](/CC)\[O-],0.5383341908454895
COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.6673927307128906
O/N=C/C(=O)Nc1ccccc1,0.5254853963851929
O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.4645729959011078
O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.5829207301139832
c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.6841123700141907
Nc1ccc(c2c1cccc2)N,0.7011665105819702
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,0.6546519994735718
N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.4982522130012512
OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.6972321271896362
NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.5096787214279175
c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.8060108423233032
O=C([C@@H]1OC1)Nc1ccccc1,0.5531119108200073
CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.3159489929676056
C[C@H]1CS1,0.2464241236448288
Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.5782882571220398
C/C=C/c1ccc(cc1OC)OC,0.5590735673904419
CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.6276127099990845
Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.49456167221069336
ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.5963417291641235
O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.4291762411594391
CCC=O,0.353284627199173
c1ccc2c(c1)Oc1c(O2)cccc1,0.6402343511581421
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.3869035840034485
Oc1ccccc1c1ccccc1,0.49075907468795776
O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.44825810194015503
CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.4288090765476227
COc1nc(NC(=O)N)nc(c1)OC,0.3356974720954895
S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.5803871750831604
CCOC(=O)C=C,0.30724990367889404
Nc1nc2c(s1)ccc1c2cccn1,0.8462737202644348
COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4982385039329529
CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.6369650959968567
CCCCOP(=O)(Oc1ccccc1)OCCCC,0.3849564492702484
COc1nncc2c1ccnc2,0.627226710319519
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.39228183031082153
CCCCC/C(=C/c1ccccc1)/C=O,0.35203516483306885
COc1nsc2c1c(ccc2)[N+](=O)[O-],0.7432848215103149
Clc1cccc(c1)C(=O)Cl,0.44668063521385193
OCCc1ccccc1[N+](=O)[O-],0.5083154439926147
CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.06757108867168427
CNN=NC,0.47987794876098633
OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.27638936042785645
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.29480546712875366
Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.5243414044380188
CC[C@@H](CN)O,0.4043288826942444
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.47755342721939087
CC(OC(=O)CC(=O)OC(C)C)C,0.39530840516090393
O1CCOCCOCCOCCOCCOCC1,0.366791695356369
CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.21944835782051086
CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.4840983748435974
ONC(=O)c1ccc2c(c1)cccc2,0.5746251344680786
C=C1CC(=O)O1,0.2120256870985031
CC(C(O)C)O,0.4576696455478668
COP(=S)(Oc1ccc(c(c1)C)N)OC,0.5263664126396179
COS(=O)(=O)F,0.4048480987548828
BrC(=C)C=O,0.47491011023521423
Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.6996163129806519
Clc1nc2ccccc2nc1Cl,0.41750460863113403
ClCC[N+](CCCl)(C)[O-].Cl,0.7448687553405762
CN(CCN(c1ccccn1)Cc1cscc1)C,0.35557666420936584
CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.5823267698287964
CC(c1ccccc1)CN=N#N,0.6852667927742004
ONc1ccc2c(c1)cccc2,0.7973412275314331
CC(COC(=O)C(=C)C)C,0.21882537007331848
ClCc1ccc(cc1)Cl,0.6175931096076965
CC12OOC2(C)c2c(O1)cccc2,0.3903706669807434
OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.4669409692287445
O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.5334213972091675
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.4115404486656189
O=NN(C(=O)C)C,0.5475040674209595
O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.28736817836761475
CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.37476545572280884
c1ccc2c(n1)c1[nH]ccc1cc2,0.7727627158164978
c1ccc(cc1)NNc1ccccc1,0.5467211604118347
N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.44606876373291016
NNCCO,0.4952193796634674
Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.6889511346817017
c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.5886860489845276
O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.3942195475101471
C=CCc1ccc(c(c1)O)O,0.4317359924316406
C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.3453706204891205
[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9157842397689819
O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.6611284017562866
[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.8615491986274719
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,0.5210531949996948
[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.38180920481681824
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,0.5130640864372253
O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.46802130341529846
NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.4792328476905823
Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.32698243856430054
C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.3453706204891205
BrC1=C(Br)C(=O)OC1,0.4512193202972412
O=Cc1ccccc1[N+](=O)[O-],0.6548808813095093
CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.3993205428123474
O=C1C=CC(=[N+]=[N-])C=C1,0.563650906085968
CCCCC,0.1477769911289215
C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.33460816740989685
CCCCCCCCCCCCCC(=O)O,0.07678449153900146
CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.1643567979335785
[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9240164756774902
CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.6267183423042297
CC(=O)Nc1ccnc2c1cccc2,0.5123658180236816
O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.6003919243812561
CCCCCCCCCCCCO,0.1863902509212494
Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.44817915558815
[O-][N+](=O)c1cnc(n1C)C,0.5300824642181396
O=C1COC(=C1O)C,0.4612005352973938
CC(CC(O)C)C,0.1266481876373291
COc1nncc2c1cncc2,0.5777724981307983
Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.49122875928878784
COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.5296143293380737
CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.4777320325374603
Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.5430660247802734
COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.4700182378292084
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5139244794845581
[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.7673943042755127
OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.5106245875358582
CC(CCCCCCCOC(=O)C(=C)C)C,0.07181581109762192
C[Si](O)(C)C,0.3542996644973755
CNC(=O)c1cccnc1S(=O)(=O)N,0.4688473641872406
CN(c1ccc(cc1)N=Nc1ccccc1)C,0.635370135307312
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,0.3422275185585022
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0.4818856716156006
Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.7557978630065918
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.2791895270347595
C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.7210808992385864
CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.4995865225791931
CCOc1ccc2c(c1)sc(n2)N,0.6925542950630188
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.5990143418312073
CCOC(=O)c1ccccc1C(=O)OCC,0.4802342355251312
CCOc1cccc(c1)N,0.5374486446380615
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,0.46150216460227966
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.7443945407867432
CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.2723318934440613
Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.4666787087917328
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.75372314453125
CCc1ccccc1,0.3558311462402344
Clc1ccc(c(c1)O)Cl,0.41935405135154724
CCN(C(=S)SSC(=S)N(CC)CC)CC,0.38351085782051086
Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.5844942927360535
COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5019327998161316
C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.4119112491607666
OCCn1c(CO)ncc1[N+](=O)[O-],0.40151065587997437
NC(C(=O)O)CSC(C(Br)Br)(F)F,0.4086526930332184
COc1c2cc3OCOc3cc2nc2c1cco2,0.6303752064704895
CC1c2ccccc2-c2c1cccc2,0.553863525390625
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.3472079038619995
Clc1cc(Cl)nc(n1)Cl,0.17642842233181
Clc1cccc(c1)C(F)(F)F,0.37104254961013794
C=CCc1ccccc1OCC(CNC(C)C)O,0.4234384596347809
CCCCCCCCCCCCOC[C@@H]1OC1,0.17754165828227997
CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.6429901719093323
O1CCOCC1,0.45888596773147583
[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.5129119753837585
COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.31552478671073914
CCOc1nc(NC)nc(n1)N,0.42155519127845764
CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.39379775524139404
CCC(=O)O.[Na+],0.08975788950920105
OC(=O)/C=C/c1c[nH]cn1,0.2766043543815613
COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.5232703685760498
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.5874379873275757
CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.18507571518421173
COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.4503381848335266
C/C=C/c1ccc2c(c1)OCO2,0.5947579145431519
C(C1OC1)Cc1ccccc1,0.5935784578323364
OC1CC2C(C1(C)CC2)(C)C,0.4533284604549408
COP(=O)OC,0.4504314363002777
[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.5128331184387207
Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.6214950680732727
O=CC(=C(Cl)Cl)Cl,0.4272230565547943
CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.3773458003997803
C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.5017679929733276
NCCc1ccc(c(c1)O)O,0.4770161509513855
CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.47375059127807617
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.31512650847435
c1ccc2c(c1)cccc2,0.7856017351150513
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.33733096718788147
BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6996582746505737
N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.20064640045166016
CCNC(=N)N([N+](=O)[O-])N=O,0.6008114218711853
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.6099802255630493
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,0.4538384974002838
COP(=O)(OC)C,0.40671506524086
CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.2731509804725647
Cc1ccc2c(c1)cc1c(c2)cccc1,0.6669971942901611
CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.538432776927948
OC1OC(=O)C(=C1Cl)Cl,0.3457512855529785
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.6274145245552063
CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.31620553135871887
CCCCCCCCCCC,0.26046818494796753
COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5145837068557739
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.447786808013916
Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.7713279724121094
O=c1n(CC2CO2)sc2c1cccc2,0.6081205010414124
O=C1C=CC(=O)C(=C1)C(C)(C)C,0.4170752465724945
Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.527829647064209
CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.6903594732284546
O=NN1CCCC[C@H]1C,0.567949652671814
COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.500637412071228
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.4445263743400574
[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.5901838541030884
CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.6519084572792053
OC(C(F)(F)F)C(F)(F)F,0.4504149854183197
OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.573272705078125
Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.7263239622116089
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6316646337509155
CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.5245257616043091
Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.5197193026542664
OC[C@@H](CI)O,0.5668039321899414
CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.1765109747648239
OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.502781867980957
C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.3728923201560974
O=Nc1ccc(cc1)O,0.5466662049293518
CCNS(=O)(=O)c1ccccc1C,0.49780240654945374
[N-]=[N+]=NC[C@H](C(=O)O)N,0.5552287101745605
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,0.5988802313804626
c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.7649523019790649
OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.5198488235473633
C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.4497552812099457
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,0.4582693576812744
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9342253804206848
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.7289239764213562
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,0.5191476941108704
OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5111976861953735
O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.5441271662712097
O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.3983786702156067
CCCCCCCCCCO,0.2096954584121704
OCCN(c1ccc2c(c1)cccc2)CCO,0.5320547223091125
ClCC1=C(Cl)C(=O)OC1O,0.5148547887802124
N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.46555274724960327
OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.3892238736152649
OC(=O)CCl,0.46602922677993774
Cc1nccc2c1[nH]c1c2cccc1.Cl,0.694915771484375
Cc1cccc(c1)C,0.362557977437973
N[C@H](C(=O)O)CSCc1ccccc1,0.3644605278968811
OC(=O)CP(=O)(O)C,0.2943650186061859
CN(N=Nc1ccc(cc1)C(=O)O)C,0.46435102820396423
FC(C(F)(F)F)Cl,0.5647108554840088
COc1nsc2c1cc(N)cc2,0.6849636435508728
O=C(c1ccccc1)C(=O)C,0.478428453207016
OC(=O)CS.[Na+],0.11469171941280365
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,0.3254699110984802
CCCC[C@H](COS(=O)(=O)O)CC,0.21166232228279114
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.48122438788414
CNC1Cc2cccc3c2c(C1)ccc3,0.6519084572792053
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,0.5295183062553406
COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.4221121370792389
CC1(C)C2CC3C(C1C2)(C)O3,0.25685572624206543
Clc1ccc(c(c1)C)N,0.5322615504264832
OC(C(Cl)(Cl)Cl)O,0.3708963096141815
CCC(=O)C=C,0.2604392468929291
CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.3864458203315735
Cc1cccc(c1O)C,0.4523269534111023
Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.6602009534835815
CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.40242305397987366
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.46953970193862915
Nc1ccc(cc1)/N=N/c1ccccc1,0.6734769940376282
O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.4396918714046478
n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.7845562100410461
O=C1CCCCCN1,0.3480834364891052
Oc1cc(O)cc(c1)O,0.43281450867652893
O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.5683681964874268
CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.18191871047019958
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.24093475937843323
CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.5149194002151489
CC1(OC1)c1ccc(cc1)Cl,0.4613620638847351
COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6168608665466309
OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.6358746290206909
COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.3441407084465027
[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.597419261932373
C[C@H](C(=O)NCC(=O)O)S,0.1320054531097412
COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.4433804452419281
OC(=O)CCCCCCCCC(=O)O,0.17852188646793365
C1CCC(CC1)NSc1nc2c(s1)cccc2,0.495990514755249
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,0.4802718162536621
CCC/C=C/C=O,0.36508870124816895
Oc1ccc2c(n1)cccc2,0.41439923644065857
CCCCCCCCCCCCc1ccccc1,0.1513545960187912
O=C1C=CC(=N#N)C=C1,0.6085444688796997
c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.8623484373092651
CC(=O)[C@H](O)C,0.40427646040916443
CC(NC(=O)Nc1ccccc1)C,0.282565712928772
OCCN(CCO)C,0.38306155800819397
CC(Cc1ccccc1)N,0.4143083095550537
CC(c1ccccc1)Cl,0.508821427822113
O=NN(c1ncn(c1C(=O)NC)C)C,0.5617032647132874
COc1ccc(cc1)CCC1OC1,0.43035149574279785
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.40144696831703186
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.8526960611343384
CCCCc1c(=O)nc([nH]c1C)NCC,0.3992480933666229
Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.3264174163341522
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,0.5105992555618286
NC(C(=O)O)Cc1ncn[nH]1,0.28112125396728516
Fc1ccc2-c3c(C(c2c1)C)cccc3,0.5743153095245361
CCOC(=O)C(=C)C,0.2977357506752014
O=Cc1cccc(c1)Cl,0.5827968120574951
Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.5265137553215027
OC(COc1cccc2c1C=CC2)CNC(C)C,0.5033498406410217
Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.5103311538696289
OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.5761546492576599
Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.45781007409095764
NN1C(=O)c2c(C1=O)cccc2,0.5869343876838684
CC12CCC(C2(C)C)CC1(C)O,0.36094945669174194
Clc1ccc2c(c1)nc([nH]2)C,0.5898346900939941
O=NN(C(=N)N[N+](=O)[O-])C,0.5371023416519165
N#CC(c1cccc(c1)Oc1ccccc1)O,0.5544967651367188
OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.48822736740112305
CCCC(=O)OCC,0.16097083687782288
NCP(=O)(O)O,0.5507552027702332
C[N+](Cc1ccccc1)(C)C,0.5049367547035217
COc1cc(ccc1O)CC1CO1,0.4694940447807312
Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.6577647924423218
Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.4840196669101715
Nc1cccc(c1)S(=O)(=O)O,0.4074261784553528
FC(C(F)(F)F)C(F)(F)F,0.5449142456054688
N#Cc1ccccc1,0.48649030923843384
COC(=O)C1=C(CC)C(OC1=O)C,0.3493903875350952
CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.6340262293815613
N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8394373655319214
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,0.3846037983894348
CCN(N=O)C=O,0.6762882471084595
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)/C1,0.4199492335319519
Clc1ccc(c(c1)C(=O)O)Cl,0.28243696689605713
ONC(=O)CNC(=O)c1ccccc1,0.5265482068061829
ClCC(F)(F)F,0.5185233354568481
O=S1CCOC(=C1C(=O)N)C,0.4365521967411041
CC(=O)NNc1ccccc1,0.45074257254600525
OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7399024963378906
OC(=O)C(CC(=O)O)(CC(=O)O)O,0.1886705607175827
CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.39593833684921265
OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.5006366968154907
O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.676056444644928
CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.39324361085891724
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.511139452457428
Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.636038064956665
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.8530628085136414
CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.40868550539016724
Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5177507400512695
O=C1C=C/C(=N/C(=O)C)/C=C1,0.5898497700691223
c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.7786715626716614
Nc1ccc(c(c1)Cl)C.Cl,0.5200570225715637
OCc1ccc(cc1)OC(=O)C,0.27286574244499207
Clc1ccc(c(c1)N)[N+](=O)[O-],0.6042905449867249
OC1C=CC2C(C1O)O2,0.5469516515731812
Nc1ccc2c(c1)cc1c(c2)cccc1,0.7316972613334656
O=CN(c1cccc(c1)Cl)O,0.5927467346191406
Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.6527815461158752
c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.7638854384422302
O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.7153600454330444
CCCC,0.33414018154144287
O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.5047814846038818
ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.5559033155441284
CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.4062545895576477
CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.5503012537956238
C=C1CCC2CC1C2(C)C,0.17697763442993164
O=C1C=C(O)c2c(C1=O)cccc2,0.5417273640632629
c1cc2ccc3c4c2c(c1)ccc4ccc3,0.7871654033660889
CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.3681362569332123
OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4985533654689789
CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.38313961029052734
Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.41023531556129456
Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6578009128570557
CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.34659522771835327
N#C/C(=C(/C#N)\N)/N,0.5935937166213989
COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.30884653329849243
CC(=O)OC[C@@H](CO)O,0.3656301498413086
[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.6878918409347534
OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.40356120467185974
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5350073575973511
FC[C@H]1CO1,0.8266839981079102
O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.37302619218826294
ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.47616615891456604
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.4717767834663391
BrCC(Br)(Br)Br,0.49690383672714233
[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.7126992344856262
C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.2803109884262085
c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.544280469417572
O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.6132925152778625
COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.5944711565971375
Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.5945459604263306
N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.3337894678115845
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.2925027906894684
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.13774117827415466
CC(C(=O)O)Cl,0.3390357196331024
NC(C(=O)NCC(=O)O)CS,0.25389713048934937
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.8474977612495422
C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.6515710353851318
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.875147819519043
Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.5454492568969727
O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.7533820271492004
CCNc1cccc(c1)O,0.4573870301246643
CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.386608362197876
CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.5168532133102417
OC(=O)CCCOc1ccc(cc1C)Cl,0.11503304541110992
Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.6550313234329224
Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8081107139587402
NC(=N)c1ccccc1,0.5151103734970093
CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.5810257792472839
N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.43776407837867737
Nc1ccc(c(c1)C(F)(F)F)Cl,0.44820013642311096
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.875085711479187
Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.740878701210022
S=c1ssc(c1C)c1cnccn1,0.312436580657959
Nc1ccc(cc1)C(=O)N,0.4413836598396301
OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.46501317620277405
CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.22538916766643524
NC(=O)c1ccccc1C,0.47762757539749146
Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7164648771286011
O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.6037302017211914
OC(=O)C(F)(F)F,0.3904072344303131
O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.3572331964969635
CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6140166521072388
CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.5929848551750183
Oc1ccc(c(c1)C)Cl,0.35922566056251526
C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.7438721656799316
O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.4138627052307129
O=NN1CCN([C@H](C1)C)N=O,0.7702683210372925
CSCC(C(=O)O)N,0.26167577505111694
Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.6390672922134399
O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.6817477345466614
O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.7233327627182007
O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.6967157125473022
OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.44261059165000916
CCCCCN(CCCC)N=O,0.5784517526626587
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,0.4665587544441223
NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.41276535391807556
CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.4220725893974304
COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.5296143293380737
CCCn1c(OCCC)nc2c(c1=O)cccc2,0.3069680333137512
NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.5649701952934265
C/C=C\C=O,0.5139576196670532
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.5329374074935913
OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.5942153334617615
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,0.6282020211219788
Clc1cccc2c1c1ccccc1o2,0.6010624170303345
C[n+]1cccc(c1)C(=O)O,0.29693955183029175
Clc1ccccc1,0.41292238235473633
NCCCCCCN,0.5686773061752319
OC(=O)C(Cl)(Cl)C,0.19701506197452545
O=NN1CCN(CC1)C,0.6658698916435242
c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.7897347211837769
N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.8542784452438354
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,0.5140200853347778
c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.6409955024719238
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,0.1177850216627121
O(Cc1cccc2c1cccc2)CC1CO1,0.7474042177200317
O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.35543861985206604
O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.6529767513275146
CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.5496636033058167
[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7261918187141418
CCOC(=O)C(=O)C,0.3720560669898987
O=c1ccoc(c1O)C,0.45616769790649414
Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6146817207336426
Clc1nncc2c1nccc2,0.41640982031822205
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.5173105001449585
Nc1ccc(c(c1)[N+](=O)[O-])C,0.648496687412262
O=C1C=CC(=O)C1(Cl)Cl,0.47723549604415894
[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.4154101312160492
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.40599140524864197
ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.6538802981376648
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.3734426498413086
c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.7109485864639282
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.5051308870315552
Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.6933904886245728
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.4651034474372864
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.658593475818634
N#CC(O)(C)C,0.32798320055007935
c1ccc2c(n1)c1ncccc1cc2,0.7751394510269165
CCSCCOP(=S)(OC)OC,0.28710809350013733
Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.36436063051223755
CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.3459183871746063
O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.5254612565040588
COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.48112431168556213
NC(=NC(=N)N)NCCc1ccccc1,0.6101139187812805
CCO,0.38598015904426575
OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.14856095612049103
Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.6676039695739746
O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.529755711555481
COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.468339741230011
Nc1cccc2c1c(=O)[nH][nH]c2=O,0.5582479238510132
ClCc1ccccc1,0.6375901103019714
OOC(N=NC)(C)C,0.4185001254081726
CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.33407503366470337
Nc1cccc2c1C(=O)c1ccccc1C2=O,0.5692507028579712
Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.4958469867706299
CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.5759328603744507
Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5833468437194824
CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.08525566756725311
CCCCCCCCCCCCCCCCCCN,0.27410176396369934
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,0.5231040716171265
N#Cc1ccccc1C#N,0.46215954422950745
Nc1ccc(cc1)CCc1ccccc1,0.5054047107696533
COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.43989261984825134
CC(=O)Oc1ccccc1C(=O)O,0.3459150791168213
OC/C=C/c1ccccc1,0.6057313680648804
CCC1OC1c1ccccc1,0.4926847517490387
CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.47444280982017517
Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5290767550468445
COc1ccc(cc1)N.Cl,0.6188222765922546
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5309364199638367
ClCCCC(=O)N(c1snc2c1cccc2)C,0.6770097017288208
CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6853535771369934
CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.41785770654678345
OC(=O)CCC(=O)CC(=O)C,0.14201924204826355
Cc1ccco1,0.43360596895217896
NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.23551949858665466
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.37516602873802185
Cc1ccc2c(c1)nccc2,0.6078330278396606
Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.6475265622138977
Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.6532819271087646
CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.5356404185295105
O=NN(CCN(C)C)C,0.7164491415023804
Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.6681805849075317
COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.49907970428466797
[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.8589136004447937
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.4010867476463318
[O-][N+](=O)c1ccc2c(c1)csn2,0.7963519096374512
CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.4611477851867676
CCCN(CCCCO)N=O,0.48370441794395447
Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.5166827440261841
CNC(=O)c1ccccc1,0.4048791527748108
O=NN1CCC=CC1,0.694841206073761
CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.593647301197052
CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.46435102820396423
CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.13526475429534912
COc1nsc2c1cccc2OC[C@H]1CO1,0.544219434261322
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.3895069360733032
O/N=C/C1N(CCCN(C)C)C=CN1C,0.5299865007400513
C=CCc1ccc(c(c1)OC)O,0.4214140772819519
N#N=NCC(Cn1cnc2c1ncnc2N)O,0.6183898448944092
CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.16716477274894714
OCCN(c1ccc(cc1)C)CCO,0.4313296377658844
ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.6900641918182373
CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.5061855316162109
OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.7725048065185547
CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.5087478756904602
CNC(=O)N(c1ccccc1)c1ccccc1,0.46334415674209595
O=C(c1ccccc1O)OCc1ccccc1,0.478975772857666
O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.38969099521636963
OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5407106876373291
Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6607354879379272
O=C1NCNC(=O)N1,0.3802705705165863
CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.5826164484024048
Cc1ccc(cc1)[C@H]1OC1,0.5808638334274292
O=Cc1cccc(c1)c1ccccc1,0.6228605508804321
CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.3454429805278778
CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.5393075942993164
O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.8362520337104797
O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.281068354845047
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.7906830906867981
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.931466281414032
CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.6607707142829895
OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.4403682351112366
O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.5245125889778137
O=C1NCC(=O)N1,0.4155902862548828
Nc1ccc(cc1)Oc1ccccc1,0.6454564332962036
O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.5282207727432251
Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.6186354160308838
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.29010316729545593
CC(=O)/C=C/c1ccc2c(c1)OCO2,0.5630226135253906
Nc1cc2cccc3c2c2c1cccc2cc3,0.7783516645431519
c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.7772066593170166
CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.5780212879180908
O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.5675777196884155
CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.4522935748100281
CCC(C(=O)NC(=O)N)(CC)Br,0.3809415102005005
Fc1cnc2c(c1)cccc2,0.4559551179409027
CC1=CC(=O)c2c(C1=O)cccc2O,0.5173599123954773
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.506954550743103
[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.7404513955116272
OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.5817290544509888
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.34434011578559875
ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.4867819845676422
CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.4241989552974701
N#Cc1cccc(c1)[N+](=O)[O-],0.6346849203109741
[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.7419134974479675
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.285783976316452
Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.25364020466804504
[O-][N+](=O)OCCN([N+](=O)[O-])C,0.7253915071487427
OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.36459630727767944
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.49061164259910583
Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.5197193026542664
COc1cccc2c1nc(s2)N,0.7234290838241577
Nc1ccc2c(c1)s[nH]c2=O,0.563307523727417
OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.70637446641922
CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.372234970331192
Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6095818281173706
[O-][N+](=O)c1ccc2c(c1)cccc2,0.8305467367172241
CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.24229994416236877
Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.6384323239326477
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.43550461530685425
OCNC(=O)C=C,0.35893750190734863
O=Cc1ccccc1Cl,0.5167420506477356
Nc1ncnc2c1ncn2C,0.598149299621582
Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.3993883728981018
CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.5227331519126892
OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.502703070640564
OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.6252389550209045
CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.8518552780151367
Oc1ccc(cc1N)S(=O)(=O)O,0.46308040618896484
O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.5903216004371643
COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.2627103626728058
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.29669806361198425
CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5017862319946289
CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.5844392776489258
CCCCCCCC1CCC(=O)O1,0.14275208115577698
Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.7862027883529663
C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.5105446577072144
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.5499171614646912
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.5051308870315552
O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.2787938416004181
[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7389885783195496
COC(=O)c1ccc(cc1)O,0.42165032029151917
O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.4248804450035095
OOC1(C)c2ccccc2-c2c1cccc2,0.655428409576416
c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.8741105198860168
O=NN(Cc1cccc(c1)Br)C,0.828582763671875
CCCN(C(=O)SCC)CCC,0.3166355490684509
Fc1ccc(c2c1nccc2)F,0.522542417049408
[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.5221642255783081
CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.5134566426277161
Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.4698494076728821
COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.44330963492393494
C=CC(=O)OCCOC(=O)C=C,0.4980466365814209
CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.3164840340614319
CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.2651277482509613
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.44341230392456055
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.8636511564254761
O=C1c2ccccc2C(=O)c2c1cccc2,0.6194700002670288
CCCC(=O)Nc1snc2c1cccc2,0.4932266175746918
CC(=C)C(=O)OCCO,0.30265292525291443
O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.43212252855300903
OC[C@@H](CCl)O,0.5873839259147644
CC(=O)N(C)C,0.3916206955909729
COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.44450172781944275
Nc1ccc(c(c1)N)O,0.5646721124649048
O=C(c1ccccc1)OOC(=O)c1ccccc1,0.5514413118362427
C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.6852210760116577
CN1CCN=N1,0.6994112730026245
CCOCCOCC,0.35628804564476013
CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.42811518907546997
COc1cc(N)cc(c1N)OC,0.5323735475540161
CCCCCCC(=O)O,0.15329040586948395
Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.552055299282074
Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.538185715675354
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,0.5222747325897217
CCCCCCCCC=O,0.20181810855865479
O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6341716647148132
[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.8161880373954773
C=CS(=O)(=O)C,0.24606475234031677
CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.662176251411438
Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.40365177392959595
O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.5861302614212036
c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8069813847541809
CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.5148137807846069
CCCCCCCC(=O)Nc1snc2c1cccc2,0.36017149686813354
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.7447279095649719
ONc1ccc(c(c1)C)C,0.5333136320114136
OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.5223445892333984
OC1CC[N+](CC1)(C)C.[Cl-],0.40817490220069885
c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.7053555250167847
BrCC(=O)c1ccccc1,0.6036882996559143
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.7939325571060181
SCC(C(=O)O)NC(=O)C(SC)(C)C,0.13460859656333923
C[Si](N[Si](C)(C)C)(C)C,0.280608594417572
ClC(=O)c1ccccc1,0.4849418103694916
CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.2772502303123474
OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.6047044992446899
CCc1cccc(c1N)CC,0.4747217297554016
Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.5397640466690063
Oc1ccc(c(c1)O)O,0.49344342947006226
O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.4573134481906891
CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.6264790892601013
Fc1cc2cccnc2c2c1nccc2,0.606572151184082
[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.8395926356315613
CCOc1cc(C=O)ccc1O,0.5006581544876099
O=CCC(C)C,0.34556472301483154
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.5624731779098511
Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.5627988576889038
C=CC(=C)Cl,0.2735050320625305
O=NN(C(=O)Oc1cccc2c1cccc2)C,0.7243067026138306
ONc1ccc2-c3c(Cc2c1)cccc3,0.6885498762130737
COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.6386914253234863
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.5999289155006409
COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.463385671377182
O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.737926185131073
N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.6387614011764526
Cc1cc(C)c(c(c1N)C)N,0.5496514439582825
CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.5994633436203003
CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.42685794830322266
Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.7765301465988159
OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.2662615180015564
c1ccc2c(c1)scn2,0.6817448735237122
N#Cc1ccc2c(c1)nc(n2C)N,0.6454401612281799
Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.7701326608657837
CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.3393149971961975
ClCC(CCl)(CCl)CCl,0.5534414052963257
C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.4399908185005188
O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.4501717686653137
C/C(=C\C=O)/Cl,0.480644166469574
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.3713567852973938
Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.39912307262420654
O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.49155378341674805
Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.7827962636947632
COc1ccc(cc1N)NOS(=O)(=O)O,0.5757994055747986
COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.44798707962036133
COC(=O)c1ccc(cc1)CN(N=O)C,0.656455397605896
Cc1cc2c(NC(=O)CCl)snc2cc1,0.7751854062080383
COc1ccccc1c1ccccc1,0.5320440530776978
Nc1[nH]cc2-c(n1)ncn2,0.5671848058700562
CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.44853582978248596
[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.9394478797912598
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.4766422212123871
CC(=O)C(Cl)(Cl)Cl,0.4094255864620209
Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8394147753715515
Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.749193549156189
N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.33834439516067505
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.4219393730163574
c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.7021428942680359
OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.3246726095676422
[O-][N+](=O)c1c(C)cccc1C,0.7018070220947266
c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.6958690881729126
Clc1nncc2c1cccc2,0.6257578134536743
O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.6706315279006958
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9707828760147095
OC(CN=[N+]=[N-])CN=[N+]=[N-],0.5152902007102966
[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.7533307075500488
OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.35371488332748413
COCCc1ccc(cc1)OCC(CNC(C)C)O,0.36382168531417847
OCCCCCCC/C=C/C=C/C,0.431387335062027
CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6564081311225891
N#N=Nc1nc2c([nH]1)cccc2,0.7361903190612793
OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.39063912630081177
CCCCOCC(=O)O,0.2749110460281372
COP(=O)(NC(=O)C)SC,0.39337465167045593
CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.6148780584335327
CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6522402167320251
COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.21202965080738068
CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9289380311965942
Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.6653204560279846
O=Cc1ccc(cc1)N,0.6040357351303101
CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.4711208939552307
[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9635566473007202
CNC(=O)ONC(=O)C,0.4750310480594635
CC(CO)Cl,0.44276610016822815
OC(=O)C1CSSC(C(=O)N1)(C)C,0.34708788990974426
OC(=O)c1cccc2c1OC(O2)(F)F,0.28923922777175903
[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8607222437858582
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5297476649284363
Cc1ccc(cc1)C(N)C,0.43759435415267944
COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.39708513021469116
N#N=NCC(C(C(C(C=O)O)O)O)O,0.5210101008415222
O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.3091433048248291
Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.4605106711387634
c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8080174326896667
C[C@@H](c1ccccc1)N(C)C,0.44653382897377014
c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7057520151138306
CC([N+](=O)[O-])(Cl)Cl,0.44512367248535156
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,0.48829755187034607
Fc1c(N)cc(c(c1Cl)F)Cl,0.5428603291511536
N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.1746416687965393
C=CCOC(=O)c1ccccc1N,0.4334832727909088
N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.8128353357315063
Oc1c(O)cccc1O,0.534554123878479
OCC(COP(=O)(O)O)O,0.3484629690647125
[O-][N+](=O)NC(=N)N(N=O)CCCC,0.586165189743042
Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.4792323112487793
COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.5018355846405029
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.38761764764785767
O=C(C(Br)(C)C)NCc1ccccc1,0.39806798100471497
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.5406354665756226
CCCCCON=O,0.4218982756137848
CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.23830771446228027
c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.8107978105545044
CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.24057897925376892
COCOC,0.34136122465133667
FC(COc1nc(N)nc(n1)N)(F)F,0.3602827489376068
COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.8258506059646606
O1CCOCCOCCOCCOCCOCCOCC1,0.4705629348754883
[O-][N+](=O)c1ccccc1C(=O)Cl,0.511955201625824
Clc1cc(Cl)c(cc1Cl)Cl,0.3356725871562958
Cc1ccc(cc1)/N=N/N(C)C,0.7800086140632629
CC(CCOC(=O)CC(C)C)C,0.2525191009044647
OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7605574131011963
Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.6956557035446167
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.28903141617774963
CC(Br)(C)C,0.2915145754814148
NC(=S)Nc1ccccc1,0.4932612478733063
COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.36459651589393616
c1ccc(cc1)c1ccccc1OCC1CO1,0.6409235596656799
CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.2858606278896332
COC(=O)COc1ccc(cc1Cl)Cl,0.48204174637794495
CC1(OC1)c1ccccc1,0.5274335741996765
CC(=O)Nc1cccc(c1)O,0.38884973526000977
COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.46303191781044006
OCCc1cn(c2c1cccc2)N=O,0.6082606315612793
OC1=CC(=O)C1=O.[Na+],0.531790018081665
CCCCN(CC(OCc1ccccc1)CO)N=O,0.6270756721496582
NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.45414915680885315
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8160667419433594
NC(=O)OC1CO1,0.5110903978347778
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3755704462528229
Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.5866101384162903
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.5403097867965698
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,0.35250958800315857
OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.37072575092315674
ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.5292542576789856
N#Cc1ccc2c(c1)n(C)c(n2)N,0.6569045782089233
O=C(n1cncc1)n1cncc1,0.4827689528465271
O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.7263270616531372
COc1nsc2c1cccc2N,0.751128077507019
CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.5324797630310059
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.6077473759651184
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8914699554443359
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,0.5933120250701904
O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.36845582723617554
O=CN(c1ccc(cc1)c1ccccc1)O,0.7392686009407043
[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8526664972305298
OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.353027880191803
O=C(c1ccccc1)/C=C/c1ccccc1,0.5169656872749329
COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.6638320684432983
CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.5926100015640259
Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.7568885087966919
Nc1ccc2c(c1)nc(c(n2)C)C,0.7055166959762573
Cc1ccccc1,0.38634949922561646
Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.5520515441894531
OC(CN=N#N)CN=N#N,0.5594124794006348
CC(=O)NO,0.4644473195075989
Fc1cnc2c(c1)c1ncccc1cc2,0.6810181736946106
CCOC(=O)C,0.28772348165512085
c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.8579413294792175
Clc1c(Cl)ccc(c1Cl)Cl,0.30418896675109863
NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.7636721730232239
O=NN1CC[C@H](C1)O,0.7827416062355042
[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8809595108032227
Nc1cccc(c1C)N,0.5397712588310242
c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.7164484262466431
OCCc1c[nH]c2c1cccc2CC,0.4512101709842682
CCCCN(N=O)CCCC,0.49314776062965393
CCN(c1ccccc1)Cc1ccccc1,0.5618400573730469
BrCCCCBr,0.4805404543876648
COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.53197181224823
Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.6737796664237976
[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.6857242584228516
Cc1ccc(c(c1)O)O,0.4468633532524109
Clc1ccc2c(c1)nc(n2C)N,0.5464740991592407
O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.33251798152923584
Nc1sc2c(n1)C1CCCNC1CC2,0.5524706244468689
Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.38818320631980896
O=C(c1ccccc1O)Oc1ccccc1,0.388274610042572
Cc1ccc(c(c1)C)N,0.502479612827301
COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.44848936796188354
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.22846384346485138
OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.5014683604240417
O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.5149592757225037
CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.601768434047699
Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.7381299138069153
OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.3939612805843353
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,0.4635482728481293
C=CCCC(C=O)CC,0.39978766441345215
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.3825557827949524
NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.40063729882240295
O=S1(=O)CCCO1,0.35486477613449097
[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.6813889741897583
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.4043562412261963
OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.5456161499023438
CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.38865402340888977
COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.4071754515171051
Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.45010876655578613
[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.3228243291378021
C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.4492138922214508
CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.3942498564720154
Nc1ccc(cc1)N.Cl.Cl,0.621189534664154
CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.5443192720413208
c1ncc[nH]1,0.3987574279308319
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.7702515721321106
C[N+]1=CC=C(CC1)c1ccccc1,0.4339272081851959
Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.6198511123657227
Oc1ccc(cc1N)S(=O)(=O)C,0.567662239074707
CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.21933409571647644
[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.355377733707428
O=Cc1ccc(cc1)Cl,0.5213068723678589
CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.5393752455711365
c1cc2ccc3c4c2c(n1)ccc4ccc3,0.7159663438796997
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,0.44869309663772583
Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.49837416410446167
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,0.5282701849937439
[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8165489435195923
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,0.29641103744506836
C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.42838963866233826
Cc1cccc(c1)Br,0.2923080027103424
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,0.5481768846511841
CCCCCCCCCCCCCC[C@@H]1OC1,0.25429272651672363
COC(=O)C(=C)Cl,0.32271629571914673
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.4084816575050354
Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.4912973940372467
CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.5834858417510986
c1ccc(cc1)NN=Nc1ccccc1,0.5867853164672852
COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.478882372379303
CCCCCCCCBr,0.41914883255958557
COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.4950016140937805
OCCCCCCCCCCCCCCCCCC(=O)O,0.1852552443742752
ONc1[nH]cnc2-c1ncn2,0.5029529929161072
[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.536453366279602
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,0.5785607099533081
Clc1cnc2c(c1)cccc2,0.5649146437644958
COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.5854105949401855
CC(C[C@H](O)C)C,0.2253597527742386
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.5858985781669617
CSCNc1ccccc1OC,0.5403560996055603
CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.2556437849998474
Cc1ccc2c(c1)ccc(=O)o2,0.4396682679653168
O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5278984308242798
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.27656546235084534
Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.4603655934333801
CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.36232510209083557
CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.5023112297058105
OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.5096830129623413
[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9384986758232117
c1scc(n1)c1nc2c([nH]1)cccc2,0.6902114748954773
CCCN=NC(OO)(C)C,0.3721792995929718
COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.7329593896865845
OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.5332551002502441
CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.2720761001110077
Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6215289831161499
CCCCCCCCCCSCn1cc[n+](c1)C,0.3191051185131073
OS(=O)(=O)c1ccccc1,0.4288023114204407
c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.7242461442947388
C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.15071900188922882
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,0.7012025713920593
O1C[C@@H]1COc1ccccc1,0.5683809518814087
C[N+]1(C)CCOCC1.Cl,0.3739676773548126
Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9670823812484741
Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.5290017127990723
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9145370721817017
Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5668237805366516
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,0.4010307788848877
CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.47767361998558044
Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.7116634845733643
O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.5350362062454224
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,0.493129163980484
Nc1cccc(c1)[N+](=O)[O-],0.6919018626213074
Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.5783623456954956
[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6253936886787415
Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.5456613302230835
CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.4384153485298157
[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.5957528352737427
ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.8738774061203003
COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.7409368753433228
CC(=O)C(=O)C,0.47316795587539673
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.4840136170387268
Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.8229859471321106
CC/C=C/CC/C=C/C=O,0.3661734163761139
OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.4502273201942444
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5951579809188843
CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.22342291474342346
CCCOc1ccc(cc1N)N,0.6044014692306519
OCC=O,0.5567415952682495
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,0.283897340297699
Cc1ccc2c(c1C)c1ccccc1cc2,0.7410109639167786
Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.6943181157112122
Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.39129605889320374
O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.4183424115180969
NC(C(=O)O)COC(=O)C=N#N,0.5412004590034485
OC(=O)c1ccccc1N,0.40575647354125977
[O-][n+]1cccc2c1c(O)ccc2,0.5703738331794739
CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.2449185848236084
OC(=O)c1ccc(cc1)C,0.42517852783203125
CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.46334704756736755
COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6859795451164246
Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6419073343276978
Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.6902172565460205
NCCN,0.6456281542778015
[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.5226122140884399
COc1nc(C)nc(n1)N,0.38143762946128845
C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.3754192590713501
Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.5199531316757202
O=CC=C(Cl)Cl,0.4332178235054016
OC(=O)C[C@H](C(=O)O)O,0.3541611135005951
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.744874894618988
OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.4112663269042969
O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.2843261659145355
C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.40319186449050903
CCCCCOC(=O)C(=C)C,0.26583099365234375
CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.3361361026763916
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.37156230211257935
CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.500341534614563
CCCCCCCCCC=C,0.2554851174354553
CN(C(=O)Cl)C,0.42696937918663025
OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.524064838886261
BrCC(=O)c1ccc(cc1)Br,0.5893920660018921
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.5879043340682983
BrC(C=O)CBr,0.5780834555625916
CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.5183076858520508
c1ccc2c(c1)oc1c2cccc1,0.7134968638420105
OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.5654028654098511
OCC12OOC2(CO)Oc2c1cccc2,0.5210096836090088
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.7775389552116394
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-],0.5622822046279907
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,0.6262954473495483
O=Nc1nccn1C,0.6604599356651306
OCCN(C(=O)Nc1ccccc1)C,0.4446793496608734
CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.2755776345729828
C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.3020089268684387
CNP(=S)(N1CC1)N1CC1,0.43489378690719604
OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.3808150291442871
Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.798316478729248
SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.20905771851539612
COc1ccc(cc1)C1OC1C,0.5000815391540527
CCCCOC(=O)c1ccccc1N,0.4325121343135834
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.2032136172056198
Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.17816202342510223
Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.35041695833206177
CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.25811806321144104
OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.26011958718299866
CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.5666817426681519
OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.42484980821609497
NC(=O)c1c(Cl)cccc1Cl,0.4353109300136566
O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.45822128653526306
CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.3181788921356201
CC1=CCC(CC1)C(O)(C)C,0.4001709520816803
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.27199044823646545
OCc1ccco1,0.4495132565498352
C=Cc1ccncc1,0.461932510137558
[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.838566780090332
[N-]=[N+]=NCC(C(=O)O)(N)C,0.5127794146537781
OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.49931231141090393
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.7219843864440918
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.39261311292648315
Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.5512242317199707
ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.5504969358444214
OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.40632668137550354
CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.3287090063095093
OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.6925187110900879
Cc1cc(C)c2c(c1)ccc1c2cccc1,0.6087773442268372
Cc1ccc(cc1)N(C(=O)C)O,0.5335441827774048
OC(=O)CCN[N+](C)(C)C,0.3440524935722351
Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.4952011704444885
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.1739673614501953
[O-][N+](=O)[CH-]CCCC,0.42203888297080994
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.6600209474563599
COc1cc(ccc1N)[N+](=O)[O-],0.7296264171600342
CNCCO,0.37453413009643555
COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.4322841763496399
c1cc2ccc3c4c2c(c1)ccc4cnc3,0.8256403803825378
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,0.5834383368492126
NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.5815469026565552
O=C1NCCN1c1nccs1,0.4606601297855377
Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.3692009150981903
CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.4190274178981781
CC(=O)c1ccc2c(c1)cccc2,0.7150413990020752
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.8384276628494263
CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.3715539872646332
CCOC(=O)C(Br)C,0.42738309502601624
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.47061967849731445
COC(=O)C=C,0.26830199360847473
OC(=O)CI,0.4715513586997986
CCCCCC[N+](=O)[O-],0.4303363263607025
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.22077074646949768
CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.3021293878555298
COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.5768016576766968
ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.7583169341087341
C/C=C/c1cc(OC)ccc1OC,0.5787827372550964
Cc1cccc2-c3c(C(c12)C)cccc3,0.5082186460494995
Nc1ccccc1Cl,0.6177506446838379
OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.4520352780818939
CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.47862744331359863
[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.6536337733268738
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.2787591516971588
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.2915950119495392
Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.43420854210853577
CCOC(=O)C(=C)C#N,0.30803972482681274
Clc1cc(O)c(c(c1)Cl)Cl,0.4184977412223816
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,0.493129163980484
CCCCC(=C)C=O,0.3661772608757019
c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.7816654443740845
Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7523711919784546
N#N=Nc1nc2c(n1C)cccc2,0.773975133895874
O=Nc1ccc(cc1)Oc1ccccc1,0.6725448966026306
[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.8410050272941589
COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.3831509053707123
Fc1ccc2c(c1)nccc2,0.5618687868118286
c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.8256216049194336
O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.6356265544891357
O=Cc1cccc2c1nccc2,0.7127938866615295
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.3008325695991516
O=C1C=CC(=O)C(=C1)Cl,0.5384924411773682
CCOc1nc(ns1)C(=O)O,0.28355395793914795
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.41940563917160034
O1CCOCCOCCOCC1,0.45435991883277893
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,0.2536868751049042
C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.41237902641296387
CCCC[C@H](COCCCN)CC,0.377559095621109
O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.48625272512435913
c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9072749018669128
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.4724884033203125
C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.6929737329483032
CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.679982602596283
O=NN(Cc1cccc(c1)C(F)(F)F)C,0.5203255414962769
COc1cccc(c1)/C=C/c1ccc(cc1)N,0.6521541476249695
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.3202562928199768
Oc1cccc(c1)Cl,0.31289294362068176
Cc1ccc(c(c1)S(=O)(=O)O)N,0.4579905867576599
OCCNCCO,0.39135003089904785
N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.6027339100837708
Nc1ccc(cc1)S(=O)(=O)O,0.49268874526023865
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,0.5986707210540771
c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.4401934742927551
[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9643787145614624
CCCCCC(=O)N,0.3404163420200348
CCC(c1ccc(cc1)O)(C)C,0.37717723846435547
CN(C1Cc2cccc3c2c(C1)ccc3)C,0.6194730401039124
COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.38716351985931396
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.39735227823257446
c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.8655136823654175
CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.33375319838523865
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.45061007142066956
COC(=O)C(NC(=O)C)CSCC(Br)C,0.46254777908325195
OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.3979957699775696
[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.8519690632820129
Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.5672143697738647
Oc1ccc(c(c1)O)C(=O)O,0.4238232672214508
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.2743847668170929
C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.331898033618927
Cc1cc(O)c(c(=O)o1)C(=O)C,0.38683629035949707
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,0.4322061538696289
C(Sc1ccccc1)CSc1ccccc1,0.36890172958374023
CCNc1snc2c1cccc2,0.7176297903060913
CC(=O)OCC=C,0.3141970932483673
O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.3120667040348053
O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.5105014443397522
CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.5397434830665588
O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.3509039282798767
CCc1cnccn1,0.3583065867424011
Cc1cc(C)nc(n1)Nc1ccccc1,0.45828455686569214
ClCc1cccc(c1)CCl,0.6941497921943665
O=c1cn[nH]c(=O)[nH]1.NCCO,0.44645482301712036
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5016617774963379
OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.4088413715362549
OC1OC(=O)C(=C1C)Cl,0.3052566647529602
[O-][N+](=O)c1cccc2c1cccc2,0.8768828511238098
OCc1cccc(c1)[N+](=O)[O-],0.46896892786026
O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.41467195749282837
OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.6425410509109497
CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.4261658787727356
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.6655707359313965
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.17183847725391388
NC(=O)CBr,0.5582729578018188
OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.4032731056213379
CCC(OC)(C)C,0.20513670146465302
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,0.5521600246429443
O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.7507864236831665
COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.4971286356449127
OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.6703907251358032
CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.5789507031440735
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.29205334186553955
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.3803958594799042
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7405627965927124
OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.4772750437259674
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.44508248567581177
Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.4049769341945648
Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.8141894340515137
CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.5079678893089294
ON1CN(Cl)CN(C1)Cl,0.504326343536377
N[C@H](C(=O)NCC(=O)O)CS,0.3444334864616394
CN(P(=O)(N(C)C)N(C)C)C,0.35518527030944824
CC1=CC(O)C2CC1C2(C)C,0.3942498564720154
CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.34699326753616333
CCCCN(CCCC)CCCC,0.369659960269928
N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.4532574713230133
Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.5907918214797974
Cc1c(C)cccc1C,0.3363424837589264
Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.5818698406219482
Clc1cccc(n1)Cl,0.18969190120697021
CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6648033857345581
c1ccc2c(c1)[nH]cc2,0.6842902898788452
Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.6492855548858643
Nc1ccc(c(c1)N)Cl,0.5575205087661743
Fc1ccc2c(c1F)nccc2,0.5750516653060913
C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.3990892469882965
Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.7798031568527222
Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.36291927099227905
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.7431204915046692
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.4423442780971527
COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.6302002668380737
Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5000442862510681
OCC(C(C(C(C=O)O)O)O)O,0.5025699734687805
Nc1ccc(cc1Cl)C(F)(F)F,0.5301119089126587
Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.7721342444419861
COc1cc(C=C)ccc1O,0.44526925683021545
COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.38767844438552856
O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.5268138647079468
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.5281777381896973
[O-][N+](=O)c1ccnc2c1cccc2,0.8019583821296692
Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.5280973315238953
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.9029137492179871
COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.6094923615455627
CN1CN(C)CSC1=S,0.3353610336780548
Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.3617064356803894
O=Cc1ccc(c(c1)Cl)Cl,0.5104902982711792
C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.42838963866233826
Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.840709388256073
Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5047280192375183
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.4732888340950012
[O-][N+](=O)c1ccc(c2c1cccc2)C,0.8293863534927368
NS(=O)(=O)c1cccc2c1nccc2,0.6895931959152222
O=C1C=CC(=O)c2c1cccc2,0.6037817001342773
CNc1ccc2c(c1C)nc(c(n2)C)C,0.6200723648071289
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.29569312930107117
O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.49947819113731384
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.5116132497787476
Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.3056250214576721
COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.3857231140136719
NCCS(=O)(=O)O,0.3912571668624878
[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.5777993202209473
CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.4002407491207123
CC(C#N)O,0.38874733448028564
OC(=O)c1ccco1,0.2661207616329193
ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.8921016454696655
O=C/C=C\c1ccccc1OC,0.5479990243911743
CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.4388241767883301
ClCC(CBr)(Br)C,0.5109635591506958
CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.45019251108169556
CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.42395907640457153
CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.5745352506637573
CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.2680829167366028
COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.5858131051063538
Cc1cccc(c1)N,0.48942404985427856
[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.7635911107063293
C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.3812898099422455
CC/C=C\C#N,0.34607604146003723
OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.7491925954818726
CCOC(=O)CC(=O)C,0.2960025668144226
COC(=O)C1=CCCN(C1)N=O,0.5561650395393372
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.17546291649341583
Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7253050804138184
Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.6129139065742493
OC(=O)CCCC[C@H]1SSCC1,0.2018623799085617
OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.4028504490852356
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.3163566589355469
C=Cc1ccccn1,0.4792366027832031
CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.4215337336063385
[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8080242872238159
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.31908005475997925
CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.40847834944725037
NC(=N)S(=O)O,0.41028445959091187
OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.725770115852356
OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.38720524311065674
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.6966676712036133
CC(=O)NC(C(=O)O)CSCCCl,0.3940805196762085
Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.4910174012184143
FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.5035343170166016
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.36288487911224365
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.4812803268432617
ONc1ccc(cc1)C,0.47703924775123596
Oc1c2ccccc2nc2c1cco2,0.4601455628871918
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.34072989225387573
CNC(=O)CSP(=O)(OC)OC,0.4554328918457031
c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.751191258430481
Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.4597327709197998
C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5426274538040161
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,0.3345649838447571
c1cnc2c(c1)CCC1C2O1,0.4372815191745758
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.34619277715682983
OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.3335537314414978
CCOc1ccccc1C(=O)N,0.43748679757118225
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.722931981086731
C[N+]1(C)CCCCC1.[Cl-],0.26235297322273254
[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.6806005239486694
CC(=O)c1ccc(cc1)[N+](=O)[O-],0.5878610610961914
[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.7493268251419067
O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7394236326217651
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.31767088174819946
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.5710811018943787
C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.3272934556007385
CC(=O)Oc1cccc2c1nccc2,0.5376899242401123
Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.6450956463813782
CC(OP(=O)(F)C)C,0.3080003559589386
Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.47354254126548767
[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.7620753645896912
Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.7384467720985413
Oc1ccccc1Cl,0.43069642782211304
OC(=O)Cc1ccc(cc1)N,0.3842310905456543
O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6429288983345032
CNc1snc2c1cccc2,0.7621966004371643
O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.8526093363761902
Oc1cc(=O)[nH]c(n1)N,0.40027084946632385
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.4202447533607483
OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7842941284179688
NC(=O)c1ccccc1C(F)(F)F,0.4223254323005676
Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.5923413038253784
CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.4661867618560791
O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.39135003089904785
CC(Cl)Cl,0.38171371817588806
OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7595914602279663
CCCCCCCC/C=C/CCCCCCCC(=O)O,0.20973391830921173
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+],0.4744871258735657
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.7985273599624634
OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.5432606935501099
OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.2786201238632202
CCC(=O)OCc1ccccc1[N+](=O)[O-],0.41188621520996094
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,0.6029673218727112
Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5644989609718323
OCC1CCCO1,0.42424899339675903
CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.27930572628974915
COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.3478315770626068
c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.7829285264015198
N#Cc1c(Cl)cccc1Cl,0.4216133654117584
CCCCOC(=O)C,0.32740190625190735
NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.5428579449653625
COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.6266587376594543
[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.7242141366004944
COC(=O)Nc1nc2c([nH]1)cccc2,0.4620879292488098
O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.37032848596572876
O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.4956742823123932
ClCc1cnc(nc1Cl)Cl,0.47233277559280396
NC(=O)N(c1ccccc1)c1ccccc1,0.5283987522125244
O=CC(=O)c1ccccc1,0.508540153503418
Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.5947362780570984
[N-]=[N+]=CC(=O)NCC(=O)NN,0.5715465545654297
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.35103994607925415
Oc1cccc(c1)[N+](=O)[O-],0.5414476990699768
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.4216010570526123
BrCC(=O)c1ccc(cc1)c1ccccc1,0.7093731164932251
C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.5333582162857056
CN(C#N)C,0.4247419834136963
Nc1cccc2c1snc2,0.7896353006362915
BrCC(=C)Br,0.5004116296768188
O=Nc1ncn(c1c1ccccc1)C,0.7252238988876343
ClCc1c2ccccc2c(c2c1cccc2)Cl,0.760370135307312
Nc1ccccc1C(F)(F)F,0.4926537871360779
NNc1ccc(cc1)C(=O)O,0.43619054555892944
O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.7264909148216248
Nc1[nH]ccc2-c1c1ccccc1n2,0.5810275077819824
Cc1c2ccccc2cc2c1c1ccccc1cc2,0.7994604706764221
CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.501389741897583
OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.3418723940849304
[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.5678360462188721
CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.5244811773300171
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.1947980672121048
O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.6077094078063965
O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8201403617858887
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.37369489669799805
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.30678310990333557
Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.6171291470527649
OC[C@H](O)C,0.3822046220302582
CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.6169973611831665
O=NN1C[C@H](C)C(=O)NC1=O,0.4419037401676178
O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.42905229330062866
O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.4697152078151703
CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.6823078989982605
O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.6221745014190674
O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.4700887203216553
FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.6029470562934875
[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.5862650871276855
OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.3704437017440796
[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.441537469625473
Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.5604508519172668
Cc1cc2cccnc2c(c1)C(=O)O,0.31052595376968384
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.4830304980278015
CC(O)(C)C,0.37365031242370605
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.6397711038589478
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,0.5943855047225952
OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.3834191858768463
COc1cc(=O)[nH]c(=O)[nH]1,0.4022933840751648
OC(=O)c1cccc(c1)C(F)(F)F,0.38273683190345764
O=C(Nc1ccccc1C)CC(=O)C,0.43738389015197754
FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.5403615832328796
OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.3042241930961609
CC(C1=CC(=O)C(=CC1=O)C)C,0.4175536036491394
Nc1ccc2c(c1)nccc2,0.7356768846511841
Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.576803982257843
O(Cc1ccccc1)Cc1ccccc1,0.5578180551528931
C[C@@H]1O[C@@H](C)CN(C1)N=O,0.4842338562011719
CCCCC(CCCC)(CCC)S,0.18432077765464783
CCN/N=N/CC,0.3864973485469818
O=NN1CCOCC1,0.7712098360061646
[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.8877366781234741
Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.6489130854606628
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.4887664318084717
O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.5118988752365112
CCCC(=O)OC1CCCCC1,0.21268054842948914
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.4823252260684967
CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.5367406606674194
O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.5171282887458801
c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.7582055926322937
Cc1cc(nc(n1)O)C1CC1,0.2888264060020447
NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.7975432276725769
ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.8076428174972534
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.35542672872543335
CC(CCOS(=O)(=O)C)C,0.305121511220932
CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.4585854411125183
CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.2826775312423706
NC(C(=O)O)CCCCNCC(C(=O)O)N,0.39160263538360596
CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.21958835422992706
c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.8160901069641113
Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6656472086906433
OCCNC(=O)C(O)C,0.36725911498069763
COC(=O)c1ccccc1C(=O)OC,0.41911548376083374
Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.651915431022644
O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.48826083540916443
ClCCN(c1cnc(nc1O)O)CCCl,0.46817031502723694
OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.7188912630081177
OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.5456161499023438
CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.6855641603469849
[O-][N+](=O)c1ccccc1N,0.6556912660598755
Oc1cc(O)cc(c1)O.O.O,0.42832881212234497
CCOC(=O)C1C(C1(C)C)C=C(C)C,0.3963682949542999
OCCc1ccc(cc1)[N+](=O)[O-],0.581809401512146
Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.7952058911323547
Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.6262334585189819
OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.43336495757102966
O/N=C/C=N/O,0.5671519041061401
Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.6194220185279846
ClC(C(Cl)Cl)Cl,0.531959593296051
Oc1nncc2c1cccc2,0.3628498911857605
Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.6031938195228577
COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.4588959813117981
O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.5135364532470703
CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.2831127643585205
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.2808794677257538
COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.5658282041549683
CC[n+]1c2ccccc2nc2c1cccc2,0.7049598693847656
COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.30225950479507446
CC(CN1CC(OC1=O)C)O,0.39814087748527527
O=C(C(=O)c1ccccc1)c1ccccc1,0.5069575309753418
CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.4395468235015869
N#CC1=Cc2c3c1cccc3ccc2,0.7851530313491821
CC(=O)Nc1ccc(cc1)N,0.4472394585609436
CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.46192488074302673
[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.7005671262741089
O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.5689554810523987
CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.7850658297538757
C/C(=C\C)/C#N,0.4098486006259918
ClCCOP(OCCCl)OCCCl,0.6934260129928589
CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.37478646636009216
[O-][N+](=O)c1ccc2c(c1)CCN2,0.763856828212738
COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.36266419291496277
CCCSSCC=C,0.2559692859649658
Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.4101564884185791
Nc1ccc2c(c1)nc1c(c2N)cccc1,0.8006221652030945
Nc1cc2ccccc2c2c1cccc2,0.8339033126831055
Fc1ccc2c(c1F)cccn2,0.5824982523918152
Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.6228753328323364
C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.3336142301559448
ClCCC(=O)N(c1snc2c1cccc2)CC,0.6759614944458008
CCS(=O)CCSP(=O)(OC)OC,0.4291359782218933
OCC(Cl)(Cl)Cl,0.4191167950630188
Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.6173434257507324
[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.690479576587677
O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.4245724081993103
OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.5723451375961304
Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.7322834134101868
CC(C#N)C=C,0.28917092084884644
CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.4819253385066986
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.5925792455673218
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.3938917815685272
CN(/C=N/c1ccc(cc1C)Cl)C,0.557252049446106
COc1cc(Cl)c(cc1Cl)OC,0.4738900065422058
CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.20314443111419678
CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.3452169895172119
F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.5944938063621521
[O-][N+](=O)c1ccc(c(c1)O)N,0.6938923001289368
ONc1ccc(cc1)/N=N/c1ccccc1,0.5613740682601929
Nc1nc(NC2CC2)nc(n1)N,0.42190200090408325
CCOC(=O)NNc1nncc2c1cccc2,0.6059181094169617
Cc1cccc(c1)C(=O)O,0.3634631037712097
Nn1c2ccncc2c2c1cccc2,0.900192141532898
Clc1cncc(c1)Cl,0.22909840941429138
[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.6967151761054993
C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.4464750289916992
[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.4664771556854248
ClCc1ccncc1,0.746608555316925
O=C/C=C/c1ccccc1,0.5601179599761963
c1cc(cc(c1)c1ccccc1)c1ccccc1,0.5516376495361328
Clc1cccc(c1)c1nc2c(o1)cccc2,0.4971087574958801
CCNc1nc(NC(C)C)[nH]c(=O)n1,0.3847062587738037
Clc1cc(N)c(c(c1)Cl)O,0.6614197492599487
CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.4617512822151184
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.4912169575691223
Cc1ccccc1N.Cl,0.5607154369354248
Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.6131114959716797
OC(=O)COc1ccccc1,0.3932551145553589
Oc1c2ccccc2cc2c1ccc(c2O)O,0.797258734703064
OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.587431788444519
O=c1cc(n(n1c1ccccc1)C)C,0.5536957383155823
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.31767088174819946
O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.5110190510749817
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.5465359091758728
O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.7354272603988647
Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5067125558853149
N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.673603892326355
Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.5713008046150208
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.6654576659202576
C([C@@H]1OC1)C[C@@H]1OC1,0.5280146598815918
ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.40850600600242615
O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.5521243214607239
CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.3354721665382385
BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.5564507246017456
CC1=CC(=O)CC(C1)(C)C,0.274028480052948
O=C/C(=C(/C(=O)O)\Br)/Br,0.4066370129585266
C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.4539928436279297
O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.304696649312973
Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.38159647583961487
Cc1ccc(cc1C)S(=O)(=O)O,0.397297739982605
O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.5693632960319519
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,0.31311720609664917
O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.7365627288818359
Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.4097599387168884
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.457567036151886
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.3000114858150482
CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.8133678436279297
CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.48418354988098145
CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.2945893406867981
COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.421743243932724
Cc1ccc(cc1)N(C)C,0.5895665884017944
CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.3733576536178589
CC(=O)c1ccco1,0.45602554082870483
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.4601665139198303
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.2766755223274231
CC/C=C/[C@H](C=O)CC,0.3437235951423645
N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9335861206054688
Nc1ccc2-c3c(Cc2c1)cccc3,0.637059211730957
CC(=O)Nc1ccccc1,0.3671870827674866
CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.21017858386039734
CN1CCC=C2C1CCc1c2nc(s1)N,0.4987678527832031
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.19669385254383087
O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.4373707175254822
COc1ccc(cc1)O,0.5071285367012024
ONc1ncnc2c1ncn2Cc1ccccc1,0.5968216061592102
C=CC(=O)OCC(COC(=O)C=C)(C)C,0.2860477566719055
OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.3280647397041321
O=Cc1ccc2-c1cocc2COC(=O)C,0.5863090753555298
COc1cc(O)nc(n1)NC(=O)N,0.31335052847862244
ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.8097480535507202
CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.3619932234287262
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.6750296354293823
OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.26148828864097595
Nc1ccccc1O,0.5405580401420593
CSSC,0.37985461950302124
CCOP(=S)(OCC(C)C)SCCl,0.3477979302406311
ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.4361502528190613
Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.6365249156951904
Ic1cccc(c1)[N+](=O)[O-],0.5203569531440735
c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.5314310789108276
O=NN(Cc1ccc(cc1)F)C,0.6537175178527832
O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.2584826946258545
OC[C@H]1CCCO1,0.36440712213516235
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5442460775375366
N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.5457425713539124
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.3510475754737854
[O-]P(=O)(OC)O,0.339942991733551
ONc1ccccc1,0.5358289480209351
Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.15543195605278015
O=C/C=C/c1ccco1,0.6155043840408325
CCCCNCC,0.2564007341861725
Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.6579293012619019
O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.5822709202766418
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.3892541825771332
Cl[C@@H](c1ccccc1)C(=O)Cl,0.566179633140564
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.678135871887207
O=NN(CC(=O)O)CC(=O)O,0.4475659430027008
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,0.3379605710506439
Nc1ccccc1,0.5078455805778503
COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.34544822573661804
CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.5587490200996399
O=c1ccc2c(o1)cccc2,0.4872674345970154
NNc1ccc(cc1)[N+](=O)[O-],0.6811602115631104
COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.4808017313480377
CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.3083217740058899
OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.3125559389591217
O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.49195653200149536
OC(=O)c1ccccc1Cl,0.3077888786792755
COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.37385624647140503
OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.409844309091568
Clc1ccc(cc1)c1nc2c(o1)cccc2,0.4893644452095032
[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.454610675573349
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.5278670787811279
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.47926396131515503
OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.44278162717819214
BrC(C(Br)Br)Br,0.4343126714229584
CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.48994022607803345
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.6608492136001587
c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.7183420658111572
C/C=C/C=C/C(=O)O.[K+],0.3705066740512848
Cc1ccc(cc1)[N+](=O)[O-],0.741143524646759
COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.3680935502052307
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.8075157999992371
Nc1nc(N)c2c(n1)nc[nH]2,0.576882004737854
Nc1ccc2c(c1)c1ccccc1n2C,0.8323731422424316
N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.5764392614364624
C[C@@]1(CO1)C=C,0.42979127168655396
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.5604658126831055
CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.6527004241943359
OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.28545886278152466
CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.28935208916664124
ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.514696478843689
Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.38115429878234863
CCO[Si](OCC)(OCC)C,0.22338199615478516
CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.45674362778663635
OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.31694716215133667
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.3576909899711609
Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.5479446649551392
Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.6231902837753296
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.4927159249782562
ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.39584478735923767
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.2306831181049347
ClCCCBr,0.45778757333755493
C=CCCC1CO1,0.4167465269565582
c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.7200098633766174
[O-][N+](=O)c1cccc2c1n[nH]c2,0.6831555962562561
CNc1nc2c(n1C)ccc1c2cccn1,0.6899936199188232
Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.55512535572052
OC(=O)C(Cl)(Cl)Cl.[Na+],0.2945686876773834
Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.7109365463256836
Clc1ccc(cc1)Br,0.31337791681289673
O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.23803672194480896
Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.5909206867218018
CNc1ccc(cc1)[N+](=O)[O-],0.6437719464302063
[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.5476754903793335
O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.4919815957546234
Cc1cccc(c1)N.Cl,0.4412572979927063
[O-][N+](=O)c1nc2c(n1C)cccc2,0.6792961359024048
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)c1ccccc1,0.4647744297981262
c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.5956622362136841
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.49772757291793823
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,0.35656946897506714
Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.549721360206604
Nc1cc(nn1C)C1CC1,0.3610474467277527
Fc1ccc2c(c1)c1ncccc1cc2,0.6793961524963379
CC(c1ccc(cc1)NC(=O)N)C,0.46527519822120667
Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.6588528752326965
CCCCN(CCO)N=O,0.553520679473877
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.3708893656730652
OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5159174203872681
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,0.5480072498321533
CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.271720290184021
Cc1ccc(c(c1)N)C,0.542631983757019
CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.2898181974887848
CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.5449815988540649
[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.5357800722122192
NCCNCCN,0.5653366446495056
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.1883419305086136
[O-][n+]1cccc2c1C1OC1C=C2,0.4947076439857483
Oc1cccc2c1cccc2,0.5163500308990479
OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.32777997851371765
COCCN(c1c(C)cccc1C)C(=O)CCl,0.5449773669242859
ClCc1ccc(cc1)OC,0.6014408469200134
[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9538515210151672
[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.8060002326965332
OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.20516076683998108
O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.432403028011322
CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.39107105135917664
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5321413278579712
COP(=S)(SCC(=O)N(C=O)C)OC,0.440909206867218
CC[Si](CC)(Cl)Cl,0.1818605363368988
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,0.2937280535697937
CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.5875352025032043
O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.43987202644348145
Oc1ccc(cc1)C(=O)O,0.34699106216430664
Nc1ccc(c(c1)N)[N+](=O)[O-],0.6038882732391357
Clc1ccc(cc1)CNC1CCCC1,0.3716140389442444
[O-][N+](=O)c1cccc(c1C)C,0.5791000723838806
[O-][N+](=O)c1cc2ccccc2cc1C,0.8815796971321106
CCC12OC2O1,0.2928031086921692
c1ccc(cc1)/N=N/c1ccccc1,0.5476222634315491
CC(=O)OCc1ccco1,0.38935714960098267
OC1CC(C)(C)N(C(C1)(C)C)O,0.23484539985656738
CCOC(=O)CC(=O)CCl,0.4452487528324127
CC1=CC[C@@H](CC1)C(=C)C,0.21446481347084045
ONc1ncnc2c1nc[nH]2,0.5121902227401733
CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.14900244772434235
CCOC(=O)CNC(=O)C(Br)C,0.4944674074649811
CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.449282705783844
c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7413134574890137
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.5682151317596436
Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.4054805338382721
OCc1c(N)cccc1[N+](=O)[O-],0.5800144672393799
OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.3233969807624817
C1=C[C@@H]2[C@H](C=C1)O2,0.5754908323287964
CCOS(=O)(=O)OCC,0.39173948764801025
ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.4761756956577301
OC[C@H]1CO1,0.2967589199542999
Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.5544971227645874
CCCCBr,0.23669667541980743
Oc1cnnc(n1)O,0.1397423893213272
CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.5005043745040894
Nc1cccc2-c3c(Cc12)cccc3,0.6058090925216675
Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.561722457408905
O=C(c1ccccc1N)OCCc1ccccc1,0.4566628336906433
[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.5710337162017822
CC12OOC2(C)Oc2c1ccc1c2nccc1,0.5948664546012878
CCN(c1ccc(c(c1)O)N=O)CC,0.5849565267562866
CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.5107343196868896
COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.4648090898990631
CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.31984931230545044
O=C(C1(C)OC1)NCc1ccccc1,0.5285394191741943
Oc1c2ccccc2nc2c1cccc2,0.5968689322471619
Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.5215712785720825
N#CCCNCCC#N,0.3586041033267975
OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.6573342680931091
ON(c1ccc(cc1)Br)C(=O)C,0.5085309743881226
CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.5236201286315918
NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.2708786129951477
CC([N+](=O)[O-])C,0.40321892499923706
NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.3547404706478119
COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.4439330995082855
C[N+](Cc1ccccc1)(C)C.Cl,0.387702077627182
OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5121088027954102
OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.2937280535697937
NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.5794986486434937
Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.214106485247612
OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.39218389987945557
OC(=O)C(Oc1cccc2c1cccc2)C,0.49146145582199097
CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.5319262742996216
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.5142051577568054
[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7948039174079895
CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.42327880859375
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8370131254196167
C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.46805256605148315
Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.36788129806518555
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.5505847930908203
ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.5455383658409119
C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.5013265013694763
CCCC[C@H](CN)CC,0.3308568596839905
OC(=O)c1cnccc1C(F)(F)F,0.17224666476249695
OC(=O)c1cc(O)c(c(c1)O)O,0.32031357288360596
Cc1cc2ncccc2c2c1n(C)cn2,0.717437744140625
C1CC[C@@H]2[C@@H](C1)CCCC2,0.32962244749069214
CCCCOC(=O)CCC,0.18275658786296844
CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.5250495076179504
CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.18004579842090607
O=C(C(=C)C)OCCOC(=O)C(=C)C,0.4087837338447571
NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.3211405873298645
CN(c1ccncc1)C,0.47120171785354614
Cc1nsc(c1)N,0.3684818744659424
C[C@]12CC[C@H](CC1)C(O2)(C)C,0.1805698424577713
Cn1cccc1,0.4612593650817871
CC(=O)/C=C/c1ccccc1,0.49276113510131836
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)CO3,0.5216733813285828
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.41375112533569336
O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.911398708820343
Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.42358532547950745
O=CCC=O,0.42244982719421387
Cc1c[nH]c(=S)[nH]c1=O,0.4039909839630127
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.30024659633636475
CC(CON=O)C,0.34818485379219055
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.4783187508583069
c1ccc2c(c1)[nH]c1c2ccnc1,0.6586782336235046
O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.43348726630210876
CC(=O)Nc1ccc(cc1)O,0.36941227316856384
CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.44485536217689514
Nc1cccc2c1nc1cccc(c1n2)N,0.7460113763809204
Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.7992491126060486
ClCC(CCl)Br,0.45298367738723755
Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7120811343193054
Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.7875117063522339
O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.21732421219348907
Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.37475794553756714
CNC(=O)Nc1ccccc1,0.3683919906616211
O=Nc1cccc(c1)C,0.5866217017173767
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.6093708276748657
O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.40328478813171387
Nc1ccc(cc1)/C=C/c1ccccc1,0.6243395805358887
Nc1nc2c(n1C)ccc1c2ccnc1,0.6891759634017944
COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.554279088973999
Cl/C=C/C[N@+]12CN3CN(C2)CN(C1)C3,0.7483208775520325
c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.6361129879951477
CNc1ccc2c(c1C)ncc(n2)C,0.6539472937583923
O=C1CCc2c(O1)cccc2,0.3067484498023987
CC(Cc1ccc(cc1)C(=O)C)C,0.37630394101142883
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.41493868827819824
O1C=CC2C(C=C1)O2,0.5534526109695435
O=Nc1cc2OCOc2cc1O,0.5804378390312195
BrCC1=C(Cl)C(=O)OC1,0.5031145811080933
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.15931831300258636
[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.7686432600021362
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.7314776182174683
c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9050071835517883
Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.7936776280403137
Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.2844443917274475
SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.19971084594726562
CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.601706326007843
ClCC[N+](CCCl)(C)[O-],0.7316994071006775
CN(C)C,0.5048099160194397
Nc1ccc(cc1)c1ccc(cc1)N,0.6017509698867798
CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2N(C1)CCc1c2cc(c(c1)OC)OC,0.5117743611335754
CSc1ccc(cc1C)OP(=S)(OC)OC,0.4000994563102722
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.6978915929794312
O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.4068337082862854
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.6552556753158569
OCNC(=O)c1ccc(cc1)Cl,0.37375450134277344
OC1C2OC2c2c(C1O)ccc1c2cccn1,0.6576896905899048
CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.5408705472946167
CCNc1nc(N)nc(n1)Cl,0.2910739779472351
O=NOC(C)(C)C,0.379054993391037
COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8133413195610046
[O-][N+](=O)c1c(N)cccc1O,0.5350261926651001
Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.47207218408584595
OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.4517578184604645
CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.40024489164352417
O=C1C(O)CC(N1C)c1cccnc1,0.33165258169174194
OCN=N,0.5261799097061157
N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.2797796130180359
Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.18266664445400238
O[C@@H](c1ccccc1)C#N,0.3731258511543274
CCc1cccc(c1NC(=O)C)CC,0.3051219880580902
Clc1cccc(c1O)Cl,0.42600131034851074
O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.4730320870876312
CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.3370504677295685
Cl[C@H]1O[C@H]1CBr,0.5391865372657776
[O-][N+](=O)C(C(O)C)C,0.3832152485847473
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.3197554647922516
OC(=O)c1ccccc1,0.33955249190330505
C[C@H](CBr)O,0.4533673822879791
Nc1ccc(c(c1)N)C,0.45549124479293823
OC(=O)c1cccc(c1)C(=O)O,0.35463112592697144
C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.5415776371955872
[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9582112431526184
Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.6186614036560059
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.5020748972892761
Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.22623446583747864
O=NN(C(=O)N)CCCC(=O)O,0.37447747588157654
CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.4517412781715393
Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.47942915558815
Brc1ccccc1c1ccccc1,0.44137296080589294
N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.5911849737167358
O=C1C(=O)c2ccccc2-c2c1cccc2,0.5837792158126831
CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.5162670612335205
c1ccc(cc1)/C=C/c1ccccc1,0.6104252934455872
OCCI,0.48630332946777344
Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.5694013833999634
[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.602239727973938
CC(C(=O)NCc1ccc(cc1)Cl)Br,0.3771340847015381
O=NN(C(=O)N)CC(=O)O,0.4882098138332367
CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.3425099849700928
COc1ccccc1[N+](=O)[O-],0.5012944340705872
CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.17332589626312256
OC[C@H](CN(C[C@H](O)C)N=O)O,0.5520443916320801
OCc1ccnc2c1cccc2,0.5855259299278259
CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.5854429006576538
Nc1nc2c(n1C)ccc1c2cccn1,0.6361470818519592
CCCCCO,0.12513545155525208
O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.4334537386894226
[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.6130717992782593
C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.3553820252418518
O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.5235847234725952
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,0.31637024879455566
OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.7054863572120667
Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.43176770210266113
OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7618986368179321
CCCC[C@H](COC(=O)C=C)CC,0.18122276663780212
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.2893516719341278
OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.25871771574020386
CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.368461549282074
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.4641815721988678
C1CCO1,0.2480829656124115
OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.3091610372066498
CN(N=O)C[C@H](O)C,0.5240331888198853
ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.32307296991348267
N#Cc1cccc(c1)C#N,0.3825554847717285
CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.25758257508277893
N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.4758301377296448
OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.30056509375572205
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.5286744832992554
O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.4154239594936371
[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.5007530450820923
c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.7737170457839966
OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.29045647382736206
Clc1cc(Cl)cc(c1)Cl,0.2399757355451584
CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.45806604623794556
Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.4590018391609192
OCC(CBr)(CBr)CBr,0.44886937737464905
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.3270631432533264
c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.7823076248168945
O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.5464527606964111
C[n+]1c2ccccc2cc2c1cccc2.Cl,0.692761242389679
[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.8930344581604004
N[C@@H](C(=O)O)CS,0.19602911174297333
Cc1nc2c(s1)cccc2,0.5047465562820435
Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.25310200452804565
Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.6342848539352417
O=CCCN(C(=O)OCC)N=O,0.4801256060600281
ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.7945836782455444
OC1C=Cc2c(C1O)ccc1c2nccc1,0.6490496397018433
CCC(CC(CC(Cl)C)Cl)Cl,0.24757209420204163
O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.5563254356384277
Cc1c(N)c(C)c(c(c1C)N)C,0.546156108379364
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.555145263671875
Cl/C=C(\C(Cl)Cl)/Cl,0.5068297386169434
COC(=O)C12OC2(C)C(OC1=O)C,0.43670138716697693
OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.6170815229415894
Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.7071212530136108
Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.5593699216842651
CC(=O)CCC(=O)C,0.21087583899497986
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9410474896430969
Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.6057978868484497
CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.33962029218673706
c1ccc(cc1)Cc1ccccc1OCC1CO1,0.446871280670166
O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.6535948514938354
ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8871439099311829
CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.4293510317802429
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)/C1,0.3162897527217865
CN(/N=N/c1ccc(cc1)Cl)C,0.6226898431777954
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.13894255459308624
Nc1ccc2c(n1)c1ccccc1cc2,0.7661908268928528
ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.5757034420967102
ClC[C@@H](CBr)Br,0.387899786233902
Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.5328748226165771
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.2605990767478943
OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.6547421216964722
Nc1ccc2c(c1)cccc2,0.6443514823913574
ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.39044076204299927
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,0.4555242657661438
O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.13797149062156677
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.33594128489494324
OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.47309455275535583
CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.6855467557907104
Nc1cccc2c1c(N)ccc2,0.5786535143852234
ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.49812668561935425
O1CC1Cc1ccccc1,0.4618934094905853
O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.5012913942337036
Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6231768131256104
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.3234212100505829
OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.5877665877342224
CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.5708216428756714
CCCCCCCCCC(=O)O,0.12495583295822144
C[C@@H](c1ccccc1)Br,0.5099269151687622
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,0.26010656356811523
CC(NCC(c1ccc(c(c1)O)O)O)C,0.3247743844985962
CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.2913251221179962
OC(=O)Cc1c[nH]c2c1cccc2,0.30445829033851624
Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4303976893424988
Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.5150483250617981
CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.2902074456214905
Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.7571547627449036
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.37478432059288025
CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.6585155129432678
CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.5187238454818726
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.28659510612487793
ClC(C(=O)C(Cl)Cl)Cl,0.5114524960517883
Brc1ccc(cc1)[N+](=O)[O-],0.6843536496162415
O=c1[nH]cc(cc1N)c1ccncc1,0.5939086079597473
ClC/C=C\Cl,0.5348236560821533
CCCCCCCCCCCCN(N=O)C,0.4609004855155945
C/C=C/C,0.41981634497642517
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.29975825548171997
[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9166553616523743
CCCOC(=O)C(=C)C,0.23814713954925537
OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.3272828161716461
COc1c(Cl)ccc(c1C(=O)O)Cl,0.31589463353157043
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.5272678136825562
C[n+]1c2ccccc2cc2c1cccc2,0.692761242389679
NC(=O)c1cccc(c1)[N+](=O)[O-],0.45789557695388794
Nc1cn[nH]c(=O)c1Cl,0.5157405734062195
O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.27464333176612854
Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.43685832619667053
COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.26262614130973816
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.22502021491527557
Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.6114352345466614
CCC1(C)CO1,0.28840965032577515
CN(N=O)CCCC,0.6583948731422424
Clc1ccc2c(c1)oc1c2cccc1,0.5479468107223511
OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.6260524988174438
Nc1cccc2c1nc1CCCCc1c2,0.6334737539291382
OCCn1c(C)ncc1[N+](=O)[O-],0.3922518193721771
Nc1ccc(c(c1)C)C,0.536840558052063
Nc1cnc2c(c1)c1ccccc1cc2,0.7818928360939026
N#CCNC(=O)c1cnccc1C(F)(F)F,0.2863468825817108
CN(C(=N)N(C)C)C,0.3007712960243225
CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.7165101766586304
CNC(=O)Nc1ccc(cc1)C(C)C,0.3993667960166931
Nc1scc(n1)c1cccnc1,0.45107850432395935
Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.6828165054321289
Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5624768137931824
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.320118248462677
O=Nc1ccc(cc1)C(=O)C,0.5478503704071045
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.1484888643026352
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,0.5477573871612549
CC1CCCC1,0.175241619348526
O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.5953367948532104
C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.14973939955234528
CCNC(=S)NCC,0.28999510407447815
O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.4264259934425354
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.26021018624305725
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9489061236381531
ONS(=O)(=O)c1cccc2c1nccc2,0.6685019731521606
SCCc1cnccn1,0.181966632604599
O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.6350114941596985
O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.43153396248817444
CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.30086246132850647
Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5056025981903076
CC(=C)C(=O)OCC(C)(C)C,0.17209500074386597
CC(C(C)(C)C)OP(=O)(Cl)C,0.24714787304401398
[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.870576024055481
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)CO3,0.5208041667938232
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.3211249113082886
COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.4924280047416687
[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.812380313873291
OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.17636854946613312
CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.30665653944015503
CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.2718878388404846
Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.5097055435180664
N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.4166072905063629
N=C(NC(=N)N)NCCc1ccccc1,0.481393039226532
[O-][N+](=O)/C=C/c1ccccc1,0.5796934962272644
c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.857425332069397
OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.3554575741291046
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,0.3856286406517029
Cc1ccccc1OC[C@H]1CO1,0.5021441578865051
CCCCCCCCn1sccc1=O,0.28511109948158264
N#CCc1ccc(cc1)Cl,0.2434951364994049
O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.5959347486495972
NCCCN(CC)CC,0.44068288803100586
C[C@H](C=O)CC,0.26226159930229187
O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.6540745496749878
Clc1ncccc1Cl,0.14368769526481628
NC(=O)O[C@H]1CO1,0.4271681308746338
Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6296805143356323
ICCc1ccc(cc1)OCc1ccccc1,0.6423589587211609
[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.513007640838623
Cc1cccnc1,0.23344643414020538
OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.16293063759803772
FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.41407322883605957
Cc1ccc2c(c1)nn[nH]2,0.6553289890289307
CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.3683611750602722
Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.40825146436691284
N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.43339529633522034
O=C1CCc2c1ccc1c2ccc2c1cccc2,0.571082592010498
OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6553038954734802
c1ccc(cc1)Nc1cccc2c1cccc2,0.5764342546463013
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.37020042538642883
Nc1cc2ccccc2cc1N,0.7032068967819214
CCC([N+](=O)[O-])CC,0.39334386587142944
Clc1ccc(c(c1Cl)O)Cl,0.3173087239265442
CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5351733565330505
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.900617778301239
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.5622990727424622
OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.4393543601036072
C[C@H]1CN1,0.3823530077934265
CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.19986654818058014
C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.7804202437400818
COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.3260803818702698
O=CC1=CCCC2(C1(C=O)C2)C,0.521977424621582
[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6234033703804016
CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.24580971896648407
COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.3930022120475769
C[C@H](COC(C)(C)C)O,0.2053244411945343
C[C@H](C(=O)NCc1ccccc1)Br,0.44901448488235474
ONc1ccc(cc1)c1ccccc1,0.564830482006073
C1CCC2(CC1)CO2,0.3538547456264496
ClCC(Cl)(Cl)Cl,0.4094761312007904
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.7189830541610718
COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.3227117955684662
CCc1ccccc1[N+](=O)[O-],0.5064565539360046
OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.4044867157936096
O=C(Nc1ccccc1)CC(=O)C,0.3663289248943329
Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5688344836235046
Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5026165246963501
c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.7331095933914185
O=C1CC(=NN1c1ccccc1)C,0.5378612279891968
CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.49251994490623474
COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.5601798295974731
CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.519203782081604
COc1cc(N)c(cc1N)OC,0.5992181897163391
OC[C@@H]1SCCN1N=O,0.5864948034286499
CC(=O)/C=C\c1ccccc1,0.49276113510131836
NN(c1ccc(cc1)C)c1ccc(cc1)C,0.6370466947555542
FC(n1c(C)n[nH]c1=O)F,0.6963310837745667
CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.671664834022522
CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.4667341709136963
O[C@@H]1OC(=O)C(=C1C)Cl,0.23260930180549622
ClC(=O)c1ccccc1C(=O)Cl,0.4015745520591736
c1ccc2c(c1)ccc1c2nccc1,0.7051781415939331
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,0.6284813284873962
Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.6454826593399048
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.5515806078910828
NC(=O)NCC=C,0.4300385117530823
BrC[C@H](c1ccccc1)Br,0.5219399333000183
CCCCCCC(=O)OCC,0.188214510679245
CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.5296700596809387
BrCC(CBr)Br,0.3896869122982025
O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.5806232690811157
CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.658816397190094
Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.5654654502868652
CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.21734046936035156
O=Nc1ccc2-c3c(Cc2c1)cccc3,0.7607229948043823
c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.8414396047592163
O=C/C(=C\c1ccccc1)/C,0.5086532831192017
CC(=O)Nc1ccc2c(n1)cccc2,0.532111406326294
C1OC(=O)C=C1,0.4438604414463043
On1nnc2c1cccc2,0.5994023084640503
O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.3324277997016907
O1CC1COc1ccc(cc1)Cc1ccccc1,0.45849114656448364
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.4958808422088623
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,0.5234872698783875
OC(=O)c1ccccc1C(F)(F)F,0.277984082698822
COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.3210495412349701
S(Cc1ccccc1)Cc1ccccc1,0.5668511986732483
C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.595867395401001
CC(=O)c1ccc(s1)[N+](=O)[O-],0.5599223375320435
CN(C1CCCCC1)C,0.2806120812892914
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+],0.4352549612522125
CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.24509236216545105
O=C1c2cc3ccccc3cc2-c2c1cccc2,0.6365214586257935
COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.3234919309616089
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.5298007726669312
OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.5926732420921326
CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.30390194058418274
CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6075152158737183
O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.2649897038936615
N#N=NCCC(c1ccccc1)c1ccccc1,0.6011859178543091
CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.638724684715271
CC(=O)OC(=O)C,0.27836284041404724
CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.30365893244743347
Clc1cc(Cl)c(c(c1Cl)O)Cl,0.31734269857406616
COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.3934946060180664
O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6085317730903625
ClCSP(=S)(OCC(C)C)OCC(C)C,0.3997555077075958
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,0.26148828864097595
Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6809545755386353
OC(=O)CCC(=O)O,0.17511844635009766
C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.6122332811355591
Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.3863338530063629
CCCC[C@H](COC[C@H]1CO1)CC,0.33578604459762573
CN(/N=N/c1ccc(cc1)Br)C,0.6597070693969727
O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.8391019701957703
C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.35332733392715454
O=CC(C)C,0.4031062722206116
ONc1cc(C)cc(c1)C,0.5326248407363892
C#CCOCC[n+]1ccccc1/C=N/O,0.2604646384716034
CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.2521856427192688
Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.6450049877166748
Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7718033790588379
OCCCNC(=O)C(C(CO)(C)C)O,0.35179203748703003
O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.4928416311740875
[O-][N+](=O)c1cccc2c1snc2,0.8753268122673035
Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.5791677832603455
CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.33174628019332886
ClCc1ccccn1,0.6328092813491821
C1CCC2C(C1)c1ccccc1CC2,0.5252394676208496
ClCN1C(=O)c2c(C1=O)cccc2,0.5536914467811584
CN(CCN(c1ccccn1)Cc1cccs1)C,0.349578857421875
OCCOCCOCCO,0.31841403245925903
Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8794166445732117
COc1cc(ccc1OC)CC1CO1,0.3927786350250244
Cc1ccc(cc1)N=NN(C)C,0.7096088528633118
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.5221279263496399
BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.4497164189815521
CC(=O)n1ncc(c(c1=O)Cl)Cl,0.45909565687179565
COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.549751877784729
NC(=N)NC#N,0.38600602746009827
CSC(/C=N\O)(C)C,0.453122615814209
COc1ccc(cc1)C(C=C)O,0.3501227796077728
OC(=O)CCC(=O)O.[Na+],0.17511844635009766
CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.3697532117366791
COC(=O)c1ccccc1,0.4413040578365326
c1ccc2c(c1)cc1c(c2)cccc1,0.7674432992935181
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.24966880679130554
CCCCC=C,0.21515898406505585
COc1cc2nc3cc(N)ccc3nc2cc1N,0.8204968571662903
O=C1C=CC(=O)C=C1c1ccccc1,0.5388381481170654
ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7963685989379883
Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6690598726272583
OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.48630189895629883
COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.575546383857727
C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.4097225069999695
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.44991087913513184
Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.4966250956058502
OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3846236765384674
CCCCN(C[C@@H](CCO)O)N=O,0.5469009876251221
CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.27218520641326904
OC(=O)C[N+](C)(C)C,0.1561625897884369
OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.30194371938705444
CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.5596081018447876
CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.27546340227127075
CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.24603600800037384
Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.8282769918441772
Nc1ccc(c(c1)O)C,0.4211118221282959
C[C@H](C(=O)Nc1ccccc1)Br,0.4348072111606598
Cc1ccc(c(c1)[N+](=O)[O-])C,0.7206729650497437
ONC(=O)c1ccc(c(c1)O)O,0.5246342420578003
N1CCc2c(C1)cccc2,0.5585845112800598
C/C(=C/C)/C#N,0.32974350452423096
ClCCN(C)C,0.5374823808670044
C[C@@H]1CNC[C@H](O1)C,0.25731727480888367
Clc1cc(Cl)c2c(c1O)nccc2,0.503520131111145
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.4521826207637787
CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.4461840093135834
Clc1ccc(c(c1)Cc1ccccc1)O,0.3386756181716919
COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.5363220572471619
Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.44026318192481995
CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.460212379693985
NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.5701485276222229
CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.5300368070602417
Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.46194300055503845
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,0.5485235452651978
CC(CCON=O)C,0.43670105934143066
O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.35386818647384644
CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.41773098707199097
CN(c1nc2c(n1C)ccc1c2cccn1)C,0.6784080266952515
OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.6382303833961487
ONc1ccccc1c1ccccc1,0.5504826903343201
CC(=S)N,0.3501640260219574
OCCOCCOCC,0.15663079917430878
COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.5932667255401611
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.3908960223197937
CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3490578532218933
C[C@H](CN)O,0.36668476462364197
COCCO,0.19787952303886414
CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.22076508402824402
OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.6670924425125122
[O-][N+](=O)OOC(=O)C,0.4801975190639496
O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.394770085811615
N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.2935042977333069
c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.5415164828300476
OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6632934808731079
O=C1C=CC(=O)O1,0.42840972542762756
Nc1ccc(c(c1)Cl)C,0.517532229423523
Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.7634075284004211
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,0.13185659050941467
ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.700648307800293
OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.30325067043304443
CCCON=O,0.37241607904434204
CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.32281386852264404
CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.434258371591568
NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.6497810482978821
OCCCc1ccccc1,0.5027123689651489
CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.1842745840549469
[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8115207552909851
[O-][N+](=O)N(C(=N)NN=O)CCC,0.5655111074447632
O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.6759942770004272
Fc1c[nH]c(=O)[nH]c1=O,0.37312641739845276
N#N=NCCC(C(=O)O)N,0.44279319047927856
NC(C(=O)O)Cc1ccccc1,0.30512735247612
O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.5415400266647339
CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6493980288505554
CC(C(=O)N)Br,0.42278870940208435
[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9054831266403198
O=C=Nc1ccc(c(c1)N=C=O)C,0.5093810558319092
OC(=O)/C=C/C(=O)CC(=O)C,0.25036874413490295
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9741135835647583
CCCCCC(=O)OCC,0.24335210025310516
CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.48800134658813477
C1CCNC(=O)N1N=O,0.5019245743751526
Cc1c(N)cccc1Cl,0.5378926992416382
CCCC=O,0.26252907514572144
OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7316077947616577
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,0.5154187083244324
CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.5119677782058716
CC[C@@H](NCCN[C@@H](CO)CC)CO,0.3092731535434723
[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.41812771558761597
COC(=O)C,0.26715779304504395
ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.4170338213443756
CCCCN(C[C@@H](CC)O)N=O,0.5671675801277161
COC(=O)CC(=O)C,0.29378077387809753
OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.35770538449287415
NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.5797456502914429
c1ccco1,0.34776997566223145
O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5195431709289551
C[C@@H]1CC[C@H](CC1)C(C)C,0.19297055900096893
[N-]=[N+]=C1C=NC(=O)NC1=O,0.4091108441352844
CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.20967383682727814
OC[C@H]([C@H](CO)O)O,0.48648133873939514
OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.29425716400146484
Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.6379953622817993
OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.3401564955711365
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.21216841042041779
NC1CCCC(C1)N,0.32058894634246826
CCCCC=O,0.1845959722995758
CCOO,0.2364501953125
OC(=O)COc1ccc2c(c1)cccc2,0.568421483039856
[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.8738092184066772
[O-][N+](=O)c1cc2c(N)snc2cc1,0.9064993858337402
ClC(C[C@@H]1OC1)(Cl)Cl,0.23224656283855438
CCOC(=O)CNC(=O)C(Br)(C)C,0.41966208815574646
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.6675707697868347
[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.8027346730232239
CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.6192302703857422
Clc1cccc2c1cccn2,0.5023850202560425
[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.8921239972114563
Nc1nc2c([nH]1)cccc2,0.5224061012268066
c1ccc2c(c1)Sc1c(N2)cccc1,0.7052705883979797
NCCNCC,0.4775882661342621
CNC(=O)Oc1cccc2c1cccc2,0.4913935661315918
Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7023099660873413
CCCCOO,0.2933216989040375
C/N=N/O.[K+],0.33017033338546753
Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.5194386839866638
OC(=O)/C=C/c1ccccc1,0.3838503062725067
Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8154386281967163
ClCc1ccc(cc1)CCl,0.8510196805000305
N#[N+]c1nc[nH]c1C(=O)N,0.5281823873519897
Fc1cc2ccccc2c2c1cccn2,0.5869146585464478
COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.4225713610649109
Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.5416136384010315
CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.4685402512550354
O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.28928518295288086
CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.8927413821220398
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.24586398899555206
Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.8821441531181335
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.20002083480358124
O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.7717993855476379
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,0.4774826467037201
NC(C(=O)O)C(C)C,0.2480410784482956
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,0.26649928092956543
Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.5390830039978027
Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.6473066806793213
Clc1ccc2c(c1)cccn2,0.5652186274528503
Nc1ccc(cc1)Sc1ccccc1,0.5795251131057739
CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.09484782069921494
ClCC[N+](C)(C)C.[Cl-],0.42719903588294983
Oc1cc(Cl)c(cc1Cl)O,0.4602033495903015
CCO[P@@](=O)(N(C)C)C#N,0.639835000038147
Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.7450595498085022
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,0.4250166416168213
CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.4299944043159485
c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.8414978981018066
CCCCC1CO1,0.37009087204933167
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,0.6448618173599243
CNC(=O)N(C(=O)C)O,0.42236870527267456
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.2653690278530121
OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.3961653709411621
COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.5417557954788208
CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.4362216591835022
Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8126592636108398
CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.30516019463539124
Clc1ccc2c(c1)nc([nH]2)N,0.5026501417160034
c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.8179193735122681
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.6312795281410217
O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.35616281628608704
OC(=O)Cc1ccc(cc1)NC(=O)C,0.28265005350112915
Cc1nc2c(nc1C)ccc(c2C)N,0.6835821270942688
COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4363223612308502
Cc1cccc(c1)C(=O)Cl,0.42470216751098633
OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.3986613154411316
OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.6207999587059021
BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.5930858850479126
C[C@H]([C@@H](CBr)Br)Cl,0.4740505814552307
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.685873806476593
Oc1ccc(c(c1)C(C)(C)C)O,0.351719468832016
O=NN(Cc1cccc(c1)C)C,0.8673825263977051
c1ccc2c(c1)Sc1c(O2)cccc1,0.5533272624015808
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.5324511528015137
CCCN(C(=O)N)N=O,0.3713360130786896
OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.5842386484146118
CN1CCN(CC1)C,0.4964848458766937
COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.3572792708873749
O=Nc1ccc2c(c1)cccc2,0.7761801481246948
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2N3C[C@H](CC2)C)C)C1)C,0.48924320936203003
[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.20889294147491455
CCCCOC(=O)c1ccc(cc1)N,0.3071070909500122
O=C1NC(=O)c2c1cccc2,0.420743852853775
CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.3713129460811615
Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.7609066963195801
n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8201738595962524
NNS(=O)(=O)c1ccc(cc1)C,0.7528879046440125
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.4469308853149414
CCN=[N+](CC)[O-],0.38232141733169556
COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.23030135035514832
CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.24556665122509003
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,0.42783135175704956
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,0.5454534888267517
OC(=S)c1ccccc1,0.39381951093673706
Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.37602466344833374
CCC#N,0.21375736594200134
c1ccc(nc1)c1ccccn1,0.5547850728034973
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,0.39646410942077637
CCCCOC(=O)c1cccc2c1nccc2,0.3969128727912903
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,0.4613359570503235
OC(=O)c1cccc2c1snn2,0.47561559081077576
OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.5417966842651367
O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.48954445123672485
Nc1ncc2c(n1)nc[nH]2,0.6341745257377625
CCN(CC)N,0.6365300416946411
O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.7596796154975891
CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.4079306125640869
OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.5678061246871948
C=CCc1ccc(c(c1)OC)OC,0.4262753427028656
O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.4041058421134949
CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.5309027433395386
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.6005038619041443
O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.8090158700942993
Cc1n[nH]c(=O)[nH]c1=O,0.3875657320022583
CC1OC(C)CN(C1)N=O,0.545188307762146
Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.3343563675880432
CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.7657519578933716
Fc1cnc2c(c1)c(N)ccc2,0.6919772028923035
O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.5904017686843872
CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.6553748250007629
Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.43376994132995605
NCC1(C)CC(N)CC(C1)(C)C,0.38057321310043335
Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.5482867956161499
ONc1nc2c(n1C)ccc1c2cccn1,0.7392112016677856
NC1c2ccccc2-c2c1cccc2,0.7277563214302063
O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.18872562050819397
OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.4165037274360657
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.784695029258728
ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.49537214636802673
C[C@H](C(=O)N)Br,0.39859113097190857
O=C1NS(=O)(=O)c2c1cccc2C,0.41445794701576233
Clc1c2ccccc2cc2c1cccc2,0.6399769186973572
OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.7376786470413208
O=C1C=CC(=O)C=C1,0.6110323071479797
OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.47738808393478394
Cc1ccc(c2c1c1ccccc1[nH]2)C,0.6925690174102783
Clc1ccc(c(c1)N)N,0.6409519910812378
OCCOCCO,0.3347863554954529
Fc1ccccn1,0.3530747592449188
Nc1cccc(c1)N,0.5355527997016907
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.3879813551902771
Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7971017956733704
O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.6475299000740051
CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.2561247646808624
Cc1ccc(cc1)C(O)(C)C,0.422652006149292
Oc1cccc2c1nccc2,0.5840643644332886
CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.152947336435318
Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.5184882879257202
O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.6130291223526001
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,0.28065499663352966
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.2904956340789795
CCCCSCC[C@@H](C(=O)O)N,0.3571875989437103
ONc1ccc(cc1C)C,0.5131203532218933
O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.4390360713005066
C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.605789303779602
c1ccc(cc1)N/N=N/c1ccccc1,0.5422559976577759
Nc1cccc(c1)c1ccccc1,0.6140661239624023
O=C1CCCC=C1,0.4898654520511627
ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.3882751762866974
OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.6983969807624817
O=c1c2cccc3c2c2c1cccc2cc3,0.7493234276771545
CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.47550511360168457
Clc1cc(Cl)c(c(c1)Cl)N,0.5949302315711975
CC1CCCC2(C1(O)CCCC2)C,0.3655378222465515
CC(=O)NN,0.5831742286682129
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.8604868054389954
Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.6165615916252136
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.4916292130947113
c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.7829750180244446
O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.5898722410202026
NNC(=O)c1[nH]c2c(c1N)cccc2,0.691685140132904
COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.6483961939811707
Clc1ccccc1Cl,0.3731941878795624
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,0.45585203170776367
O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.6851872205734253
O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.4857790470123291
OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.5645037889480591
Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.5618526339530945
[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.8085244297981262
COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5743644833564758
OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6253206133842468
Cc1cccc2c1nn[nH]2,0.8197644948959351
OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.25886377692222595
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.7312349081039429
CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.6309047937393188
ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6397178769111633
C/C=C/c1ccc(cc1)OC,0.5709013342857361
BrCCC(CCBr)(CO)CO,0.5824704170227051
Oc1cccc2c1OC(C2O)(C)C,0.4839652180671692
O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.7128205895423889
Fc1c(F)c(F)c(c(c1F)Cl)F,0.48448920249938965
ClNc1nc(NCl)nc(n1)NCl,0.3871428072452545
c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.7837433815002441
Fc1ccc2c(n1)cccc2,0.3806695342063904
CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.6530386209487915
Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.5393170118331909
CC1OC(C)OC(OC(O1)C)C,0.38614243268966675
C=C[C@H]1CO1,0.5364116430282593
ONc1ccc(cc1)C(=O)C,0.4755480885505676
ONc1c(C)cccc1C,0.5889668464660645
COCCOCCOCCOC,0.37270408868789673
O=Nc1ccc(cc1)Sc1ccccc1,0.7252588272094727
C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.385739266872406
CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.377542108297348
C(C1OC1)CC1OC1,0.5582830309867859
CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.23000171780586243
ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.47935613989830017
Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.5928522944450378
CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.40358966588974
COCCOCCOC,0.3804604411125183
O=CN(C)C,0.5510122776031494
COc1nsc2c1cccc2[N+](=O)[O-],0.7804757952690125
CCc1nn(c(c1Cl)C(=O)N)C,0.283829927444458
CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.3117597997188568
COc1c2ccccc2nc2c1cco2,0.629393458366394
BrCC1=C(Br)C(=O)OC1,0.5260109305381775
COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.460392564535141
OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.6715270280838013
O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.4624217450618744
CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.5227809548377991
CN(c1ccc(cc1)N(C)C)C,0.5882574915885925
CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.5429263114929199
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.6327708959579468
C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.5757211446762085
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,0.4585563540458679
O=C1c2cc(ccc2OC21CC2)C(=O)C,0.47699397802352905
O=C(C(F)(F)F)C(F)(F)F,0.39759328961372375
[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.5787514448165894
Oc1nc2c(C)cccc2nc1O,0.500859797000885
ClCCNc1ccc(cc1)CCCC(=O)O,0.427931010723114
CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.8749268651008606
CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.5894266366958618
CC(COS(=O)(=O)c1ccccc1)C,0.3396591544151306
Nc1ccc(cc1)Cl.Cl,0.5378150343894958
OCCN(C)C,0.40566286444664
CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.36958450078964233
CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.588074803352356
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.5592195391654968
O=N#Cc1cc(C)cc(c1)C#N=O,0.6019135117530823
O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.47558531165122986
OC(=O)c1ccc(o1)[N+](=O)[O-],0.5287026762962341
BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.7567537426948547
Nc1cccc2c1c(O)nnc2O,0.5329211950302124
Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.6657569408416748
Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.5073306560516357
Clc1ccc(cc1)C[C@@H]1OC1,0.4218878746032715
S=C1NCCN1,0.4438168406486511
Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.6684325933456421
OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.3287239372730255
CCOc1ccc(cc1)N=O,0.6909270286560059
Oc1cccc2c1C(=O)c1ccccc1C2=O,0.4935363233089447
CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.17806580662727356
C=C[C@H](c1ccc2c(c1)OCO2)O,0.48635929822921753
[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.7823373675346375
OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.38789650797843933
Cc1ccnc2c1cccc2,0.68030846118927
C1CCC2C(C1)CC1(CC2)CO1,0.4210849702358246
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.45441073179244995
ClC(=C1C=CC(=O)O1)Cl,0.32851165533065796
COC(=O)C(Cl)C,0.4330691397190094
CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.6474739909172058
ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.3652200996875763
CC[C@H]([C@@H](CO)C)C,0.3248879909515381
OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.6970670819282532
C1C/C=C/CCC2C(CC/C=C\1)O2,0.7429951429367065
Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4226669371128082
[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.6039823889732361
CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.19644466042518616
ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.4263309836387634
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.5106368064880371
COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.7369914054870605
[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.2744254767894745
OCc1c(CO)cnc(c1O)C,0.41001445055007935
Clc1ccc(c(c1)N)C,0.49713048338890076
ClC(c1ccccc1)C(=O)Cl,0.5088701248168945
Clc1ccc(cc1)S(=O)O,0.37991863489151
ONc1cccc2c1cccc2,0.7268074154853821
c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.7972596287727356
CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.5417966842651367
CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.5451028347015381
CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.3838198184967041
[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9273861646652222
Cn1c(N)nc2c1cc1ccccc1n2,0.6896194219589233
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,0.4814099371433258
CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.40902161598205566
OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4338696599006653
CC1=CC[C@H](CC1)C(O)(C)C,0.43071722984313965
CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.1814012974500656
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.5332235097885132
OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7761659026145935
C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.4525858759880066
Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6078465580940247
[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.34095343947410583
O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.7302905321121216
COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.5483474135398865
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,0.44319209456443787
c1ccc2c(c1)snc2,0.7601378560066223
ClCC[N+](C)(C)C,0.42719903588294983
CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.28627705574035645
OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.28065499663352966
C=CCOc1ccccc1OCC(CNC(C)C)O,0.3549892008304596
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,0.4881301820278168
COc1c(OC)c2occc2c2c1ccc(=O)o2,0.574739933013916
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,0.48278388381004333
O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.47038450837135315
CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.3503008484840393
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.7325496673583984
O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.6991955637931824
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)OCO4,0.47795572876930237
OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.4361332356929779
OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.7058814764022827
C=CCOC(=O)COCCC(C)C,0.37766456604003906
OC(=O)c1ccccc1C,0.39495334029197693
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.5316566228866577
Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.5114138722419739
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.3339594602584839
Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.7143720388412476
COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.7400152683258057
CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.49124783277511597
C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.5119369626045227
Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.654657244682312
Nc1c2ccccc2nc2c1cccc2,0.8153533935546875
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.21929916739463806
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,0.43079549074172974
CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.2174377143383026
Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6747692823410034
C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.38852962851524353
CS(=O)(=O)OCCCCOS(=O)(=O)C,0.3823060691356659
Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.5948917865753174
Cc1cccc2c1cc1ccccc1c2,0.7882119417190552
ClC(=O)c1c(Cl)cccc1Cl,0.3760209083557129
CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.4791281819343567
COc1ccc(cc1)CC1OC1,0.5511326789855957
Cc1ccc(cc1)Cc1ccccc1,0.45562124252319336
CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.5100549459457397
N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.5093328356742859
CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6848334074020386
O[C@@H]1OC(=O)C=C1CCl,0.4793502390384674
Oc1ccccc1c1ccccc1O,0.4917573928833008
CCCCN(CC(c1ccc(cc1)O)O)N=O,0.4893801212310791
COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.8038600087165833
CNNC,0.4628926217556
CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.5522540807723999
O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.4987448751926422
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.3059106469154358
N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.17407996952533722
C1O[C@H]1C=O,0.6973229646682739
CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.34069329500198364
[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7416315674781799
O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.43812042474746704
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.33492618799209595
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,0.21142835915088654
Fc1cc2cccnc2c2c1cccc2,0.675027072429657
COc1cc(C=O)c(cc1OC)OC,0.49861598014831543
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.4664890170097351
COCC(=O)O,0.25362545251846313
C[C@H](CCC(=O)c1cocc1)O,0.4010683000087738
Cc1ccc(cc1)/N=N/NCc1ccccc1,0.635587215423584
COc1ccc(cc1C(C)(C)C)O,0.4311800003051758
Cc1ccc2c(c1C)cccc2,0.6274672150611877
ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.6510341763496399
c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.823818564414978
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.8374069929122925
Cl[C@@H](C(F)(F)F)Br,0.4663538932800293
ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.3014543950557709
O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.582689642906189
CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.5812003016471863
Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.6628125905990601
Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.5397845506668091
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.20595113933086395
CC(=C)C1CCC2(C(C1)O2)C,0.25300827622413635
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.2895256578922272
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.3724491596221924
CN(/N=N/c1[nH]cnc1C(=O)N)C,0.47967034578323364
COc1ccc(cc1)OC,0.5383096933364868
[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8821342587471008
BrC(C1=C(Cl)C(=O)OC1)Br,0.49533429741859436
COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.39913153648376465
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.5254477262496948
O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.4775810241699219
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.4359026849269867
CCCCN,0.3431205451488495
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.43675270676612854
ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5452665090560913
O=NN1CC[C@@H]([C@H](C1)Br)Br,0.7791105508804321
Sc1[nH]cnc2-c1ncn2,0.3841722905635834
O=C1C=CC(=O)c2c1c(O)ccc2O,0.47110891342163086
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.4694172739982605
C[C@@H]1O[C@H]1c1ccccc1,0.4670838415622711
CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.3675483167171478
O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.48381415009498596
c1ccc(cc1)c1nc2c(o1)cccc2,0.6038618683815002
SC[C@@H](C(=O)O)NC(=O)C,0.29331088066101074
OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.45675382018089294
O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.8126163482666016
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.5660580992698669
Oc1cccc2c1OC(C2)(C)C,0.420438289642334
CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.3997172713279724
CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.5966039299964905
c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.4005446434020996
O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.4489407539367676
Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.4769945740699768
C[C@H]1CO1,0.359079509973526
Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.542475700378418
Cc1ccncc1,0.46543073654174805
Cc1ccc(c2c1ccc1c2cccc1)C,0.748261034488678
NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.45782995223999023
Nc1c(C)cccc1O,0.6031187772750854
O=C1CC=C(O1)C,0.3927029073238373
COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.5967997312545776
COc1ccccc1N.Cl,0.6591809988021851
COC(=O)c1ccccc1N,0.4912199079990387
O=NN1CSCC1,0.8184331059455872
ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.5437897443771362
CCc1ccco1,0.5160296559333801
OC(COc1cccc2c1cccc2)CNC(=O)C,0.46733158826828003
O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.5684763789176941
O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.3050382733345032
Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.3969528079032898
NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.4456053674221039
NNc1nnc(c2c1cccc2)NN,0.6519722938537598
COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.40175098180770874
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.2992820143699646
CCCCOC(=O)c1ccc(cc1)O,0.33814725279808044
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)OC3,0.4765660762786865
CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.4509517252445221
Nc1ncnc2c1cnn2CC(CN=N#N)O,0.5966367721557617
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.5336214303970337
CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.46599429845809937
Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.39372938871383667
NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.2628667950630188
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.3293500542640686
Cc1cnc(c(n1)C)C,0.43947267532348633
C1CC23C(C1)(O3)C=CC=C2,0.6304336786270142
O=C1NS(=O)(=O)c2c1scc2,0.4257696270942688
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.39603331685066223
CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.2952187955379486
ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.6769202351570129
CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.7759909629821777
OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.6326926350593567
Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.7738611698150635
Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.7735656499862671
N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.49549999833106995
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.3292090594768524
N#C[Se]Cc1ccccc1,0.4493240416049957
Nc1cccc(n1)N,0.5535354018211365
Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.40746450424194336
COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.39951637387275696
O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.47958534955978394
ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.5429673790931702
ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.3652200996875763
O=NN(C(C(=O)C)OC(=O)C)C,0.5647991299629211
CCc1ccccc1N,0.5171431303024292
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.3757205605506897
O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.6321232914924622
CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.726224958896637
CC(CCNc1snc2c1cccc2)C,0.5752785205841064
CN(N=Nc1ccccc1)C,0.7567015290260315
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.7280346155166626
COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7860409617424011
c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.7743930220603943
Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.4696027338504791
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.8860986828804016
Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.7207438349723816
OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.372859925031662
Cc1ccccn1,0.37736934423446655
Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.4013347029685974
OC(=O)Cn1cncn1,0.3148226737976074
O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.6359227895736694
C1COCCS1,0.2958527207374573
Nc1ccc(cc1)N,0.624930739402771
ONC(=O)c1ccccc1O,0.4664734899997711
ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9061806797981262
O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.3787440061569214
OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.36853933334350586
ClC(C(=O)O)Cl,0.4241970181465149
CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.4441390037536621
O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.570388913154602
C1CCCCC1,0.34367334842681885
NC(=O)/N=N/C(=O)N,0.4644891619682312
CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.4551967680454254
O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.48545679450035095
Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.48540014028549194
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9078565835952759
CN(c1ccc(cc1)N)C,0.724408745765686
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,0.4760037362575531
O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.40350785851478577
NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.4713262617588043
BrCCOC(=O)CC(C(=O)OCCBr)O,0.5860627889633179
ClCCNC(=O)N(CCCl)N=O,0.8502348065376282
Nc1nc(O)c2c(n1)nn[nH]2,0.44805774092674255
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)cccc2,0.4881967604160309
COc1ccc(c(c1)OC)N.Cl,0.5727623701095581
CC(=O)OCc1c2ccccc2cc2c1cccc2,0.6616692543029785
CC12OC1C1CCCCC1c1c2cccc1,0.5032855272293091
COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.5643426775932312
[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.5956446528434753
CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.4852064251899719
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.6976165175437927
Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7238476872444153
CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.35692721605300903
C=CCNCC=C,0.39998048543930054
Brc1ccccc1,0.4397546350955963
OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.4723183214664459
Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.33242952823638916
OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.4840148985385895
[O-][N+](=O)c1cccc2c1nccc2,0.8493705987930298
c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8060039281845093
CCN=[N+](C)[O-],0.36681193113327026
OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.466792494058609
CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.2301708161830902
CCCCCCC[C@@H]1CCC(=O)O1,0.2281704694032669
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.8850072622299194
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.3532271981239319
O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.7288487553596497
Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8109481930732727
ClCC(C(Br)(C)C)Br,0.38767340779304504
C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.6460257172584534
Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.6327871084213257
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,0.409909725189209
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.4934365153312683
OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.7059289216995239
O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.7149326205253601
NCCCN(C)C,0.4421042799949646
CNC(=O)ONC(=O)NC,0.4922320246696472
CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.41013431549072266
Nc1sc2c(n1)c(C)ccc2,0.751344621181488
Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.5745172500610352
OCNC(=O)CCl,0.46570315957069397
Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.4799448847770691
O=CC=CNCCCCC(C(=O)O)N,0.45602354407310486
O=NN1CCC[C@@H](C1)C,0.6026259660720825
COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.47774237394332886
Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.682700514793396
OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.5151113867759705
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)ccc2,0.45469745993614197
[O-][N+](=O)c1ccc2c(c1)ncn2C,0.8014033436775208
OC(=O)CCCCC(=O)O,0.37040361762046814
OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.2610151767730713
CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.3521966338157654
Fc1ccc(c2c1ccc1c2nccc1)F,0.6594533324241638
COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.6246949434280396
ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.4919971525669098
N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.28907510638237
Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.4376494288444519
Cc1cnc2c(n1)c1ncn(c1cc2)C,0.7341517210006714
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.8559144139289856
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.3663499355316162
CCc1ccc(cc1)[N+](=O)[O-],0.6899305582046509
[O-][N+](=O)c1cc2c(cc1)ncn2C,0.8272323608398438
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.47473421692848206
CCCCCCCCCCCCCCCCN,0.2950572371482849
CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.48123979568481445
OC1C2OC2c2c(C1O)c1cccnc1cc2,0.706476092338562
COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.41924500465393066
c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.8255387544631958
COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.5953396558761597
[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.349907785654068
OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.4474177956581116
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.2689650058746338
ONc1ccc(cc1)Sc1ccccc1,0.527260422706604
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.4405519962310791
Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5840909481048584
Nc1nc(N)nc(n1)N,0.3297382891178131
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=CC1,0.47550168633461
CC1=NNC(=O)N(C1)N,0.6222754716873169
Fc1ccc2c(c1)sc(n2)C(O)C,0.5625527501106262
COC(=O)c1ccccc1O,0.42502546310424805
CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.4035987854003906
COc1ccc(cc1N)[N+](=O)[O-],0.7444833517074585
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.4424745440483093
[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9102815389633179
O=CC(=O)C,0.4607762396335602
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.31053322553634644
CC(=O)Nc1ccc(cc1)C(=O)O,0.3522001802921295
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.41463702917099
ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.5331282615661621
O1C[C@@H]1[C@@H]1OC1,0.5877783298492432
Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.760513424873352
[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9279394149780273
COC1=CC=CC=CC1,0.4779202342033386
C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.21017663180828094
CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.45224475860595703
Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.545500636100769
N1CC1,0.4998672902584076
CCC(OS(=O)(=O)C)C,0.3444598317146301
Cl[C@@H](C=C)CCl,0.417866051197052
Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.45148974657058716
CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.5006803274154663
[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9154133796691895
OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.47573256492614746
[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.6979657411575317
Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7088605761528015
CCCCOCC=O,0.3885052800178528
COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.5895993113517761
[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.5906620025634766
c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.8546396493911743
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,0.48590126633644104
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,0.49381810426712036
OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.3270832896232605
ONc1ccc(cc1)N=Nc1ccccc1,0.5696578621864319
CCC(=O)N(c1ccc2c(c1)cccc2)O,0.6311184167861938
Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.398417592048645
CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.3642638325691223
ClC(=O)c1ccccc1Cl,0.42232269048690796
c1cc2cccc3c2c(c1)CC3,0.777865469455719
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.3995860517024994
OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.4276864528656006
OCC(CO)(C)C,0.42653483152389526
O=C1C=CC(=NC(=O)C)C=C1,0.5167836546897888
ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.3454771339893341
Fc1cccc2c1cccn2,0.5504879951477051
Cc1cc(C)cc(c1)C,0.3217494785785675
O=C1CCC(N1C)c1cccnc1,0.2982253432273865
Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.7222809791564941
ClCC(CCl)Cl,0.38448306918144226
CC(=O)N(c1ccccc1C)O,0.5727631449699402
ON(c1ccccc1)C(=O)C,0.5991277098655701
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,0.564831554889679
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,0.4749160408973694
Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.7581011056900024
Nc1ccccc1S(=O)(=O)O,0.4233175218105316
COc1ccc2c(c1)nc([nH]2)N,0.5622307658195496
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.181806281208992
CC(=C)OC(=O)C,0.2717045247554779
O=NN(C(=O)c1ccccc1)C,0.71770840883255
Cc1cccc(c1N)C,0.5988351702690125
CCC(=C)C=O,0.37330588698387146
ClCCN(C(=O)NC1CCCCC1)N=O,0.7521693110466003
OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.21587176620960236
CS(=O)(=O)C,0.34934201836586
[O-][n+]1cccc2c1cccc2,0.6983988881111145
C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.3466288149356842
O=NN1CSCC1C(=O)O,0.5576735138893127
CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.4304685592651367
CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.5485700368881226
CC(Oc1ccc(cc1)Nc1ccccc1)C,0.41857782006263733
CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.23811252415180206
[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.3790304362773895
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.484225332736969
CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.42651456594467163
CCCCON=O,0.3490845561027527
OC(=O)CCCc1c[nH]c2c1cccc2,0.34980735182762146
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.4814099371433258
SC(=N/C=C/N=C(S)S)S,0.36564233899116516
ONc1cnc2c(c1)nc1n2cccc1,0.7200475335121155
COc1ccc2c(c1)sc(n2)N,0.6930842995643616
CC(=O)c1ccccc1,0.4917828440666199
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7664972543716431
O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7960796356201172
[O-][N+](=O)c1cccc2c1nsc2,0.8055477142333984
c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.7674852013587952
Oc1ncnc(n1)O,0.32141542434692383
CNCCS(=O)(=O)O,0.34478944540023804
N[C@H](C(=O)O)CSCCCl,0.4902564585208893
Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.5385245084762573
Cc1nccc2c1[nH]c1c2cccc1,0.7262006998062134
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.8544362783432007
CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.38713860511779785
Cc1cccc(c1)O,0.36158597469329834
Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.7780759930610657
CC(CC(=O)Nc1snc2c1cccc2)C,0.4026324152946472
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.20178985595703125
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.583337664604187
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,0.43079549074172974
N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.861564040184021
CCCCCCCCCC[C@@H]1OC1,0.3372368812561035
COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.7207624316215515
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.2794818878173828
OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.4846310615539551
COCCOC(=O)c1ccccc1C(=O)OCCOC,0.46331119537353516
CN(CCN(c1ccccn1)Cc1ccccc1)C,0.46371063590049744
COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8387308120727539
Fc1cc(F)c2c(c1)nccc2,0.37240737676620483
C=CC(=O)OCCN(C)C,0.4716338515281677
OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.47600191831588745
OCc1c2ccccc2c(c2c1cccc2)C,0.6328370571136475
Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.6115821599960327
O=c1[nH]cnc2c1cccc2,0.4565458297729492
OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.3539236783981323
COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.619143009185791
CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.17280516028404236
CCSCCSP(=O)(OC)OC,0.39895331859588623
[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.8723204731941223
c1cccnc1,0.46739211678504944
ON(c1ccc(cc1)Cl)C(=O)C,0.4319846034049988
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.4971502423286438
O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.6712127923965454
O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.7652238607406616
c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.7176990509033203
NCC(C)C,0.4082559049129486
Cc1ccc(cc1)c1nc2c(o1)cccc2,0.5431894063949585
CNCC(c1ccc(c(c1)O)O)O,0.45553264021873474
c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.708756685256958
COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.4536726474761963
OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.441398561000824
OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.7859132885932922
OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.3325233459472656
OCc1ccc2-c1cc(ccc2C)C(=C)C,0.4870675206184387
CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.4147418439388275
Cc1ccccc1S(=O)(=O)N,0.5694800019264221
O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.45550236105918884
O=Cc1ccco1,0.6294559240341187
OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.3253929018974304
COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.4522501826286316
N#Cc1cc(Br)c(c(c1)Br)O,0.48639488220214844
COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.6376219987869263
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.40694189071655273
Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.5269230604171753
OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.7496327757835388
Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.5247602462768555
c1ccc2c(c1)occ2,0.6729393005371094
NCCCN1CCN(CC1)CCCN,0.488302081823349
C=COC(=O)C=C,0.37230825424194336
CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.5896473526954651
Nc1cc(Cl)c(c(c1)Cl)N,0.6197671890258789
[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.7800403833389282
Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.44813886284828186
CC(Cc1nccs1)C,0.23788519203662872
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.40620940923690796
CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6833817958831787
O=NN(CC(=O)COC(=O)C)C,0.5212911367416382
BrCC=C,0.42098990082740784
O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.42790931463241577
O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.36476650834083557
Nc1cccc2c1-c1ccccc1C2,0.5516171455383301
Cc1cc(=O)[nH]o1,0.4651361107826233
c1ccc2c(-c3ccccc3C3C2O3)c1,0.7005034685134888
O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.4108126163482666
Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.40075117349624634
OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.40524429082870483
CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.5860695242881775
ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7474902868270874
CC(=O)OO,0.4570845067501068
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9288956522941589
ON1C(=O)CCC1=O,0.4740496277809143
CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.2971355617046356
O=NN(CC(=O)C)C,0.6062964200973511
CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.47727170586586
COC(=O)CC(=O)OC,0.3362680971622467
COc1cccc(c1)N,0.5267676711082458
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8491744995117188
C/C(=C/COC(=O)C)/CCC=C(C)C,0.35206398367881775
ClCc1ccc(cc1)C(F)(F)F,0.6926027536392212
C=CC(=O)OCCCCCC(C)C,0.22586765885353088
Nc1ncnc2c1nc[nH]2,0.6034361720085144
c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.5115227103233337
O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.4214131236076355
BrC(=C)C(=O)C,0.37990090250968933
[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8832752108573914
N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.5647616386413574
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,0.4245321750640869
Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7829564213752747
ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.5018489360809326
C[C@@H]1O[C@@H]1C,0.45354628562927246
CC(=O)N(c1ccc2c(c1)cccc2)O,0.7173598408699036
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.3512735068798065
CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.38786089420318604
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,0.4819640517234802
NCN,0.45291605591773987
CCSCCOP(=S)(OCC)OCC,0.3482953906059265
COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.3828672766685486
CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.3890545964241028
OCC([N+](=O)[O-])(CO)Br,0.44439420104026794
O=Nc1c(CC)cccc1CC,0.5542566776275635
CCC/C=N\O,0.3818020522594452
CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.15571476519107819
OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.3652838170528412
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.791776716709137
C1CCCC2C(CC1)O2,0.49547356367111206
c1ccc[nH]1,0.4219730794429779
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.43447965383529663
O[C@H](C(=O)c1ccccc1)c1ccccc1,0.4635080397129059
O=NN1CCCCCCC1,0.789112389087677
CSC(=O)c1cccc2c1snn2,0.658831775188446
OC1C2OC2c2c(C1O)ccc1c2nccc1,0.7836224436759949
OCc1ccc(cc1)[N+](=O)[O-],0.5074092745780945
OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.21587176620960236
COc1cccc2c1nc1occc1c2OC,0.5826030969619751
Oc1ccc(cc1)Cc1ccccc1O,0.44349685311317444
Clc1cc(Cl)c(cc1O)Cl,0.4593518376350403
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.500145435333252
c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.7203706502914429
Nc1ccc2c(c1)cccn2,0.7281523942947388
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4544202387332916
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.2915109694004059
COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.4489845335483551
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9135739207267761
O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.4390360713005066
C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.4824158549308777
COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.5871326327323914
CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.7083094120025635
O=NN(COC(=O)C)C,0.5819689035415649
BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.855725109577179
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.5064722299575806
COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.47751909494400024
O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.41069474816322327
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.44754162430763245
CCSC(=O)N1CCCCCC1,0.38522353768348694
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.46834689378738403
OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.4184122085571289
O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.5019470453262329
Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.6231738328933716
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.4481171667575836
c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.7189525365829468
O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.4382525086402893
Nc1ccc(cc1)CCc1ccc(cc1)N,0.546119749546051
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,0.343069851398468
BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.7302907705307007
C/C(=N\O)/C(=O)C,0.4718746244907379
BrCCSCC(C(=O)OC)NC(=O)C,0.46743473410606384
OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.44672155380249023
N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.31718581914901733
O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.3495827615261078
ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.6581650972366333
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.29526078701019287
CC(N(C(C)C)N)C,0.4746003746986389
CCOC(=O)C[n+]1csc2c1cccc2,0.5036589503288269
Nc1cccc2c1cc1ccccc1c2,0.7514982223510742
CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.5164446830749512
Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.4381374716758728
Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.5989297032356262
CSCNc1ccccc1,0.43001651763916016
CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.7911864519119263
NCC=C,0.5000565648078918
NC(=S(=O)=O)N,0.5654426217079163
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.28492921590805054
CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.8368958234786987
O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.7020139694213867
CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.3938378691673279
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,0.4322105348110199
[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.37233132123947144
N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.21111717820167542
CNc1ccc(cc1)N=Nc1ccccc1,0.71737140417099
CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.360626220703125
CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.3505482077598572
CN1CCC(=CC1)c1ccccc1,0.40795302391052246
C=CC(=O)OCCCCOC(=O)C=C,0.3506118655204773
Nc1ccc(cc1)Cc1ccc(cc1)N,0.583621621131897
N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.7968316674232483
ClC(=O)c1cccc(c1)[N+](=O)[O-],0.5855234265327454
COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.42579102516174316
Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4232637286186218
OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.5444753170013428
Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.29839256405830383
Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.2669913172721863
O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.4387679100036621
CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.5417266488075256
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.5983119010925293
O=NN(c1ccccc1)COC(=O)C,0.57362300157547
O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6715270280838013
CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.43620890378952026
NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.40797263383865356
O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.5319920778274536
O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.6457636952400208
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.4895070493221283
CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.5534517168998718
COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.4923843443393707
OC(=O)/C=C/c1ccc(c(c1)O)O,0.3494705259799957
OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.5079416036605835
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,0.4364372789859772
[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7614009976387024
CC(c1ccc(cc1)C(C)(C)C)O,0.3607111871242523
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9078900218009949
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.4574190676212311
CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.6527407765388489
OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.3932825028896332
CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.593399167060852
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.6908445358276367
Oc1ccc2c(c1)cccc2,0.5600849986076355
CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.45655712485313416
CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.5315530896186829
CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.2996920049190521
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,0.4380304217338562
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.740010142326355
CN(c1ccc(nn1)NN)C[C@H](O)C,0.46059727668762207
NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.33961352705955505
Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.6128653883934021
COc1c(N)cc(c(c1C)N)C,0.6621736288070679
Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7212551236152649
COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.5839464068412781
O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.5797876119613647
Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.7769711017608643
OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.7122893929481506
C=CC(=O)OCCCCCOC(=O)C=C,0.283318430185318
CCCCN(CCC)N=O,0.4793461263179779
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.7197940945625305
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,0.4075922966003418
Cc1ccc(c(c1)O)N,0.5222601294517517
Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.4351896345615387
Cc1ccc2c(-c3ccccc3C2C)c1,0.5325461626052856
OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7196606397628784
ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.7974690198898315
OC(CO)CN=N#N,0.6384769678115845
CCc1ccc(nc1)C(F)(F)F,0.5230081081390381
[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9293344616889954
[O-][N+](=O)CC,0.38296326994895935
OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.39890047907829285
ClC/C(=C(\C(=O)O)/Cl)/C=O,0.5438684225082397
CC(=O)c1ccccn1,0.4653262197971344
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.8905234336853027
OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.12116042524576187
c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.8292065858840942
O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.29237741231918335
OCCCCO,0.3619230091571808
OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.3812703490257263
COC(=O)C1=C(C)C(OC1=O)C(C)C,0.34578433632850647
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.1913667470216751
CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.34301385283470154
BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.5442265868186951
Sc1ccccc1,0.25645843148231506
C=CCc1ccc(cc1)O,0.3734927177429199
Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.5469702482223511
CCNc1ccccc1,0.5529367327690125
Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6607226133346558
[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9269970655441284
[O-][N+](=O)c1cccc2c1[nH]nc2,0.7955273389816284
C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.3157068192958832
CC1=CC2CCCCC2c2c1cccc2,0.4972933828830719
COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.5496965646743774
OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.20898370444774628
Oc1ccc2c(c1)oc(=O)cc2C,0.46115097403526306
NC(=O)Nc1nc2c([nH]1)cccc2,0.6641184091567993
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.3918330669403076
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,0.505939781665802
CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.3294777572154999
[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.4663556218147278
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.4731256365776062
Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4576735496520996
COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5402992367744446
C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.30598291754722595
CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.4335278868675232
Cc1ccc2c(c1)cccc2C,0.5434174537658691
COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.19032210111618042
[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9014066457748413
Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.19051304459571838
NNC(=O)CNc1ccc2c(c1)cccc2,0.6812881231307983
CCCCOB(OCCCC)OCCCC,0.23939447104930878
O/N=C/c1ccncc1,0.48837631940841675
OC(=O)c1ccccc1S(=O)(=O)N,0.43708744645118713
OC1c2ccccc2Oc2c1cccc2,0.5964912176132202
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.14287416636943817
CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.23402848839759827
OC(=O)CS,0.1995527446269989
Nc1c(C)n(n(c1=O)c1ccccc1)C,0.533553957939148
[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.859571099281311
O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.3905957043170929
[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.7267135977745056
OCCSN=O,0.5236893892288208
COP(=O)(SC)OC,0.3010171353816986
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,0.5409338474273682
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,0.47797757387161255
CCCOO,0.2571583390235901
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.36164888739585876
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9092050790786743
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.1975305825471878
CCCCN([C@H](OC(=O)C)CCC)N=O,0.40200740098953247
C=CC(=O)NCCC[N+](C)(C)C,0.24220149219036102
OC(=O)CCN=N#N,0.49072903394699097
O=NN1CCC[C@@H]1c1cccnc1,0.7041813135147095
Nn1nnc2-c(c1O)nc1c2cccc1,0.6166516542434692
Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.5556336641311646
Cc1ccc(cc1)O,0.416789710521698
OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.37769922614097595
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.854725182056427
Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.6657189130783081
CN(C(=O)C#N)C,0.37898826599121094
OCc1ccc(o1)C=O,0.498979389667511
c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.7988568544387817
CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.5924294590950012
C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.2429332286119461
O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.688982367515564
[O-][n+]1cccc2c1C=CC1C2O1,0.5468961596488953
OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7680283784866333
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.4735259413719177
CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.5849642753601074
ClCCC(=O)N(c1snc2c1cccc2)C,0.671319842338562
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,0.49249452352523804
Fc1cccc2c1ccc1c2nccc1,0.6699405908584595
NCCC#N,0.31328827142715454
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.49752989411354065
O=C=Nc1cccc2c1cccc2N=C=O,0.700003445148468
CCN(CCCC(=O)O)N=O,0.39311134815216064
NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.496466726064682
C[Si](O[Si](C)(C)C)(C)C,0.2850135564804077
ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7016961574554443
CCCCCCCCCCCCCCCC[C@H]1CO1,0.24122777581214905
Cc1ccc(cc1)NN=NCc1ccccc1,0.6867204904556274
[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.5181587934494019
OC1C2OC2c2c(C1O)cccn2,0.45313605666160583
[O-][N+](=O)c1cccc(c1N)C,0.594751238822937
ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.502081573009491
OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.292999267578125
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.4711199402809143
ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.6594456434249878
O1C[C@H]1c1ccc(cc1)c1ccccc1,0.5347471833229065
CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.20391163229942322
O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.2509998679161072
CNc1nc(OCC(F)(F)F)nc(n1)N,0.30740052461624146
O=NN(c1ccccc1)C,0.7273281812667847
NC(=O)C=C,0.38820236921310425
Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.47244691848754883
ClCc1ccc(cc1)[N+](=O)[O-],0.8801838755607605
COC(=O)c1ccccc1S(=O)(=O)N,0.4592326283454895
CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.5320985913276672
Fc1cccc2c1c1cccnc1cc2,0.5851477384567261
Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.39456677436828613
ClCCOP(=O)(OCCCl)OCCCl,0.6822448968887329
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,0.2860706150531769
OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.32771140336990356
CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.6911620497703552
CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.2788536250591278
O=C/C(=C(/C(=O)O)\Cl)/C,0.358388751745224
O=C1OC2=CCO[C@H](C2=C1)O,0.44597166776657104
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,0.4231867790222168
ClC(=C(Cl)Cl)CS(=O)(=O)O,0.34849420189857483
Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7026363611221313
CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.4341614842414856
CCOS(=O)(=O)C,0.29592758417129517
Fc1cnc2c(c1)ccc1c2cccc1,0.7461848258972168
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.6176676750183105
[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.42118996381759644
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.28773513436317444
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.35819897055625916
ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.3675742745399475
Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.6558820009231567
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.7334356904029846
BrC/C=C\CBr,0.6261481046676636
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,0.5074326395988464
[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.8873826265335083
c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.7572952508926392
[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.6291143894195557
Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.6159301996231079
CC(=O)c1cccc(c1)[N+](=O)[O-],0.5622899532318115
BrCc1c2ccccc2c(c2c1cccc2)C,0.7500684857368469
COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.4914456903934479
Sc1ccc(cc1)[N+](=O)[O-],0.6029015779495239
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,0.4606589674949646
c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7594282031059265
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.3820158541202545
CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.6206588745117188
O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.4963208734989166
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.8111790418624878
CC(NC(C)C)C,0.21808047592639923
Fc1ccc(c(c1)F)N,0.5501085519790649
c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.720310628414154
ClCCN(CCCl)CCCl,0.6771960258483887
CSC(/C=N/O)(C)C,0.4626525044441223
CN(CC(=O)O)C.Cl,0.3489092290401459
O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.6630330681800842
Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.7223290205001831
[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.8887293934822083
OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.6900548934936523
BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7869026064872742
CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.6506963968276978
NNc1nncc2c1cccc2,0.7972995042800903
C=CCCCC[C@@H]1OC1,0.3689272999763489
CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.4608059823513031
Nc1c2CCCCc2nc2c1cccc2,0.6610066890716553
CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.25257807970046997
O(CC1OC1)CCOCC1OC1,0.6378729939460754
CNCC(=O)O,0.3061877489089966
NCCc1cc(O)c(cc1O)O,0.5109807252883911
[O-][N+](=O)c1ccc2c(c1)CC=C2,0.6625738143920898
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)c1cccs1,0.5056395530700684
CC(COC(=O)c1ccccc1N)C,0.32318568229675293
[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8400558233261108
OC(=O)[C@@H](CCl)Cl,0.4256342053413391
O=Nc1cccc(c1)c1ccccc1,0.6386815309524536
OCc1c2ccccc2cc2c1cccc2,0.7266851663589478
[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.6785444617271423
Nc1ccc(cc1C)NOS(=O)(=O)O,0.4812394082546234
CCCCCCCCCCCCOS(=O)(=O)O,0.13162575662136078
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,0.5240224599838257
OCCP(=O)(O)O,0.35363173484802246
CCOC(=O)[C@H](Br)C,0.4727512001991272
COCC12OOC2(C)c2c(O1)cccc2,0.49355125427246094
CC(C[C@H](N)C)C,0.1836584359407425
ICCc1ccccc1,0.536819577217102
CCOP(=O)(SC(CC)C)SC(CC)C,0.35817795991897583
CN(N=O)CC,0.6062589883804321
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.3657134771347046
CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.5653325319290161
Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.47850337624549866
O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.5669021606445312
CCCCCCCCCCCCCCCCCC(=O)N,0.14290645718574524
CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.6576792597770691
[O-][N+](=O)c1ccc2c(c1)cccc2C,0.8119698762893677
COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.5425527095794678
Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.6244917511940002
OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.3012647032737732
O=NN1CCCCCC1,0.6650084257125854
Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.5824829339981079
OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.5601749420166016
Cl/C=C/CSCC(C(=O)O)N,0.4004538059234619
CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.43379703164100647
ClCC=C,0.4881505072116852
OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.30126768350601196
c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.7553006410598755
CCOc1ccc(cc1)[N+](=O)[O-],0.6033036112785339
c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7540315389633179
CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.3246186673641205
Nc1cccc2c1snc2Cl,0.6679025888442993
CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.6507660150527954
NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.2492891550064087
CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.18426451086997986
CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.45244818925857544
OC(=O)c1cccc(c1Cl)Cl,0.322343111038208
CC([N+](=O)[O-])(C)C,0.411296546459198
COc1cc(N)c(cc1N)C,0.5808286666870117
Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.5740166306495667
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.438152015209198
OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.4967077672481537
Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.6205610036849976
CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.6245472431182861
O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.2669575810432434
COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.4242357611656189
Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.6772416234016418
c1ncn[nH]1,0.44565248489379883
ClCCN([P@]1(=O)NCCCO1)CCCl,0.7112505435943604
COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.815449059009552
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.3534168601036072
[O-][N+](=O)c1ccccc1C(F)(F)F,0.5477187037467957
CCC(C)C,0.27858883142471313
Nc1cc([N+](=O)[O-])c(cc1C)N,0.5908668637275696
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.542831540107727
OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5860050320625305
NNC(=O)CNC(=O)C=N#N,0.66741544008255
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,0.38004136085510254
OCCNc1ccc(c(c1)O)C,0.4744817614555359
OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.682411789894104
Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.5282764434814453
Nc1ccccc1c1ccccc1,0.586557924747467
Cc1c(C)ccc(c1C)C,0.36488693952560425
C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.24830427765846252
OC[C@@H](CCl)Cl,0.5260838866233826
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.39110931754112244
CC(=O)CC(O)(C)C,0.26470714807510376
Nc1ccc2c(n1)cccc2,0.7124454379081726
O1OC2c3c(C1c1c2cccc1)cccc3,0.7642295360565186
BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.7302907705307007
CCCN(CCC)CCC,0.2629571557044983
O=NN1CCCCCCCCCCCC1,0.7409560084342957
CC1(OC1)c1ccc(cc1)Br,0.5723167657852173
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.4263639450073242
CCN(C(=O)N)N=O,0.5305212736129761
Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7560416460037231
OCCN(N=O)CC,0.5839692950248718
[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.8953685760498047
COC(=O)C1=C(C)C(OC1=O)(C)O,0.3941657245159149
CSCCC=O,0.32668381929397583
Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.3729538023471832
ONc1cccc(c1)c1ccccc1,0.5957075953483582
NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.4622070789337158
CCCCOc1ccc(cc1)N=O,0.5849929451942444
OCCOC(=O)C=C,0.491288959980011
Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.5796356201171875
Clc1cccnc1,0.31120920181274414
[O-][N+](=O)c1c(C)ccc2c1cccc2,0.7801888585090637
CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.29149121046066284
N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.3858764171600342
CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.6186389923095703
Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.3088437020778656
Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.4228387475013733
CC(CN(CC(C)C)N)C,0.4146113395690918
Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.6434008479118347
CCCCCCCCCCCC[C@H]1CO1,0.22833266854286194
c1ccc2c(c1)c1ccccc1cc2,0.835220992565155
COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.29749470949172974
Nc1cnc2c(c1C)nc1n2cccc1C,0.5529010891914368
Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.3616480231285095
CC(OC(=O)Cc1ccccc1)C,0.22562852501869202
N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.5951492786407471
O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.6872016787528992
O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.3579941689968109
CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.6311916708946228
CCN1CCOCC1,0.38303428888320923
CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.21650180220603943
OC(=O)C(CCl)Cl,0.4256342053413391
c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.7813119888305664
CCOCC(=O)O,0.24394623935222626
c1ccc2c(c1)ccc1c2cccn1,0.7640950083732605
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.5487374067306519
Nc1nc2c(n1C)cc1c(n2)nccc1,0.6454855799674988
CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.34145885705947876
Cc1ccc(c(c1)O)C,0.4749608635902405
Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7337996363639832
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.562691330909729
CN(CCOC(=O)C(=C)C)C,0.4016749858856201
O=C=Nc1ccc(cc1)N=C=O,0.6380259394645691
ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.6177810430526733
c1ccc2c(n1)cnnc2,0.6028992533683777
BrCCOC(=O)C(=O)OCCBr,0.5899656414985657
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.44711509346961975
Nc1ccc2c(n1)n1cccc(c1n2)C,0.6852965354919434
NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7965216636657715
Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.7068134546279907
COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.5747684240341187
[O-][N+](=O)c1cccc(c1N)N,0.6398043632507324
CC(=O)N(c1snc2c1cccc2)C,0.6104894876480103
OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7323926687240601
OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.26827043294906616
CN(CCN(C)C)C,0.5498596429824829
CO[P@](=O)(NC(=O)C)SC,0.3749065399169922
CC(Br)Br,0.366359144449234
CCCC(=C)C=O,0.3333703875541687
CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.39705923199653625
Nc1[nH]nc(n1)N,0.3592752516269684
COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.5438536405563354
[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.6009673476219177
OCCN1CN(CCO)CN(C1)CCO,0.5436391234397888
CCCC(=O)Nc1snc2c1cc(C)cc2,0.4282093942165375
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.5550936460494995
Brc1cccc(c1)c1ccccc1,0.4841948449611664
COc1c(C(=O)O)c(O)nc2c1cccc2,0.2425217181444168
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.6653294563293457
O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.5497897267341614
O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.42688125371932983
CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.34336912631988525
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.5040366649627686
Cc1cccc(c1)[N+](=O)[O-],0.617973804473877
O=S1(=O)OCCCO1,0.3891907334327698
[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.39409756660461426
OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.6920000314712524
O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.2525278925895691
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.5479294061660767
Cc1ccc(cc1)CC[C@@H]1OC1,0.5481898188591003
O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5886194109916687
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.8122076988220215
CC(Nc1nc(N)nc(n1)Cl)C,0.283550888299942
CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.29945239424705505
FCC(F)(F)F,0.5451038479804993
Clc1ccc(c(c1)Cl)Cl,0.3799099922180176
CCOS(=O)(=O)c1ccccc1,0.4834546446800232
CN(C=O)N,0.6994611024856567
CCCCCNc1snc2c1cccc2,0.5743343234062195
COP(=O)(OC)O,0.3579050600528717
CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.24174638092517853
[O-][N+](=O)c1ccc(c(c1)N)C,0.6729770302772522
Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.28432077169418335
CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.4704365134239197
C[Si](N=N#N)(C)C,0.45919767022132874
COC(=O)c1sccc1S(=O)(=O)N,0.5096502304077148
ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.5670544505119324
OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.46077799797058105
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.5148104429244995
CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.5809835195541382
Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.4529089033603668
CC(=C)C,0.35428082942962646
O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.4542013108730316
O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.4339730143547058
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]12,0.2930012345314026
BrCCCCCBr,0.48672357201576233
Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.7955821752548218
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.40823468565940857
O=Nc1ccccc1C,0.6761966943740845
NC(=O)c1cnccc1C(F)(F)F,0.4194253087043762
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.2879353165626526
Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.45373669266700745
CC(=O)Nc1cccc(c1)C,0.3824447989463806
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7007116079330444
CC[P@](=S)(Sc1ccccc1)OCC,0.3405238687992096
Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.5266033411026001
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.5503687858581543
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.6949387192726135
CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.5478535890579224
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.5574396848678589
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)cccc1,0.4923669397830963
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.5207101106643677
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.8861427307128906
O=C1C=C(C)C(=O)c2c1cccc2,0.5664809942245483
COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.5039326548576355
OC(=O)c1cc2ccccc2cc1O,0.4951997697353363
CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.2564145624637604
CCN(c1ccc(cc1)N=O)CC,0.6807254552841187
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.31380006670951843
O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.6651623249053955
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.6924533843994141
CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.24019408226013184
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8553496599197388
CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.4602452218532562
Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.6143381595611572
COC(C(Cl)Cl)(F)F,0.5189576745033264
Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.5209792852401733
OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7695903778076172
Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8268650770187378
ClCC(Cl)Cl,0.48076343536376953
Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.651759147644043
CNc1ccc(cc1)/N=N/c1ccccc1,0.71737140417099
S=P(N1CC1)(N1CC1)N1CC1,0.5157932043075562
Oc1cccc2c1c(O)c1c(c2)cccc1O,0.6236968636512756
CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.45174330472946167
Clc1ccc(c(c1)Cl)C(=O)O,0.3683943450450897
COC(=O)c1ccco1,0.5164686441421509
c1ccc(nc1)c1cccc(n1)c1ccccn1,0.34849628806114197
CC[C@H](c1ccccc1O)C,0.35465824604034424
O=Cc1ccccc1,0.5271990299224854
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.1915801614522934
CCCCCCCCCC,0.3440178334712982
CC1CCN(CC1)N=O,0.5161282420158386
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,0.3975033164024353
CC(CC(=O)CC(C)C)C,0.23936691880226135
O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.24500076472759247
CC(=C)C(=O)OC[C@H]1CO1,0.3144187331199646
CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.17435668408870697
CCCCCC,0.3246998190879822
COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.6385733485221863
O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.3661612570285797
Sc1ncnc2c1[nH]cn2.O,0.33750784397125244
CC(=C)C(=O)OC[C@@H](CBr)Br,0.32220691442489624
CNC(=O)ON,0.44562727212905884
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.46173834800720215
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.35833418369293213
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,0.2932053208351135
Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.645050585269928
CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.509157657623291
[O-][N+](=O)c1c(O)ccc2c1cccc2,0.6928280591964722
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,0.5070316195487976
O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.4254631996154785
O=NN1CN2CN(C1)CN(C2)N=O,0.7230897545814514
CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.3817123770713806
ClCc1ccc(cc1)OC(=O)C,0.46302786469459534
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.481424480676651
C/C=C(/C=O)\Cl,0.4823126196861267
OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.6925161480903625
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.271660715341568
COc1cc(CCC(=O)C)ccc1O,0.43842703104019165
Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.5928076505661011
CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.435915470123291
c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.7094162702560425
CCOC(=O)CC(O)C,0.34149378538131714
OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.4112911820411682
CC(c1ccccc1)Br,0.49903473258018494
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.404779851436615
CC1CCC2CC1C2(C)C,0.24272286891937256
COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.8145818710327148
OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.5946704149246216
BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.4202130436897278
COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.2741336226463318
CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9180253744125366
ONc1cc(ccc1C)[N+](=O)[O-],0.6374348402023315
CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.23075509071350098
COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.5797557234764099
[O-][N+](=O)c1ccc2c(c1)cccn2,0.8086036443710327
ClCC(=O)Nc1c(CC)cccc1CC,0.49157601594924927
OC(=O)Cc1ccc(c(c1)O)O,0.28417739272117615
Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.6652535796165466
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.28142285346984863
Oc1ccnc(n1)O,0.31195056438446045
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,0.37049800157546997
Oc1ccc2c(c1)OCO2,0.5142847895622253
C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.6698675155639648
[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.7034469842910767
O=C1NC(=O)NC(=O)C1(O)O,0.3410455584526062
C/N=N/O,0.4407270848751068
O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.5464106798171997
ClC/C=C/Cl,0.5127503871917725
ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8469337224960327
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.7215898633003235
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,0.46080827713012695
O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.532037615776062
Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.34444430470466614
COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.4228072762489319
SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.19341245293617249
ClCc1ccc(cc1)F,0.6491445302963257
COc1cc(N=Nc2ccccc2)ccc1N,0.7302268147468567
ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.5968278050422668
c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.6359947919845581
COc1ccc2c(c1)C1CCCCC1C=C2,0.5152592658996582
[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.8078664541244507
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,0.17321732640266418
N#Cc1ccc(cc1)[N+](=O)[O-],0.7576029896736145
CCNS(=O)(=O)c1ccc(cc1)C,0.5256235003471375
O=C1C=C(O)C(=O)c2c1cccc2,0.5154814124107361
Clc1ccc2c(c1)c(N)sn2,0.6394811868667603
COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.4948360323905945
O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.3281828761100769
OC(=O)c1c(Cl)cccc1Cl,0.29749947786331177
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.3239963948726654
Clc1cccc(c1)C(=O)O,0.3438843786716461
CCCCCC/C=C\CCCCCCOC(=O)C,0.21868987381458282
OC1CCCCC1,0.3723829388618469
NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.4993484914302826
OC(=O)C(=O)O,0.3551386892795563
Clc1ccc(c(c1)[N+](=O)[O-])N,0.6312435865402222
Cc1ccc(c(c1)[N+](=O)[O-])N,0.6163730025291443
ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8152189254760742
O1CCN(CC1)SSN1CCOCC1,0.4850042760372162
CCCCCCc1ccc(cc1O)O,0.32582420110702515
CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.4154469966888428
N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.7921606302261353
Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.7738442420959473
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.5842905640602112
Nc1c(C)cccc1N,0.49259456992149353
OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.5348238945007324
CCCCCCCCOc1ccc(cc1)C(=O)O,0.12244901806116104
C=Cc1ccccc1Cl,0.3264803886413574
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.39555686712265015
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.4497129023075104
Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.7477830052375793
O=C1C=C(C)C(=O)C(=C1)C,0.48635777831077576
COc1ccc(cc1)CNC(=O)C(Br)C,0.5139738917350769
CC(=O)NNC(=O)c1ccccn1,0.422730028629303
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.4758152961730957
CC[N+](=NC)[O-],0.5226976871490479
NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.46767163276672363
OCCO,0.4231051802635193
OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.17868810892105103
[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9115780591964722
c1cc(OCC2CO2)c2c(c1)cns2,0.6223626136779785
CC(=O)CC(=O)C,0.2400970458984375
OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.3947652280330658
Cc1cc2ccccc2c2c1c1ccccc1cc2,0.7269313931465149
CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.674913227558136
CCNc1cc2oc(=O)cc(c2cc1C)C,0.4816853404045105
Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.7885123491287231
OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.4131087362766266
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,0.5125019550323486
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.415290892124176
Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.5691231489181519
O=Cc1ccccc1C,0.5290133357048035
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,0.5137240886688232
ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.7822625041007996
CO[C@@H]1OC1(C)C,0.3848523199558258
COCCOCCO,0.36956825852394104
ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.7859702110290527
CN(CC[C@@H](N(C)C)C)C,0.35397055745124817
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6517045497894287
COc1ccn(c(=O)n1)CC(CN=N#N)O,0.46400800347328186
COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.22731199860572815
O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.7097300887107849
COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7007116079330444
CCOP(=S)(SCSC(C)(C)C)OCC,0.3891376852989197
c1cc2Cc3c4c2c(c1)ccc4ccc3,0.8153172731399536
[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.49504247307777405
CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.23720543086528778
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+],0.5654653310775757
CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.41274985671043396
COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.4242357611656189
Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.45027580857276917
O=C/C(=C(/C(=O)O)\Cl)/Cl,0.406008780002594
COc1ccc(c(c1)C)N,0.5969082713127136
CC(=C)C#N,0.32376962900161743
CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.3659087121486664
Nc1ccc(cc1)N=Nc1ccccc1,0.7154256701469421
Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.6833924055099487
Cc1ccc2c(c1)nc(n2C)N,0.6027092933654785
BrCc1ccccc1CBr,0.726507306098938
Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.2531607747077942
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,0.3664122223854065
C1CCC(CC1)N=C=NC1CCCCC1,0.5187035799026489
Cc1cc(C)c2c(c1N)nsn2,0.7008388638496399
CCN(CC)CC,0.4018675684928894
c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.4912796914577484
CCOC(=O)CBr,0.5491880178451538
CNC(=O)ON=C(SC)C,0.41026097536087036
Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.629693865776062
O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.6908617615699768
Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.7602574229240417
OCCCCN(CCO)N=O,0.5608235597610474
OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.6391230225563049
ClCc1ccccc1[N+](=O)[O-],0.800237774848938
COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.7159692645072937
c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.8164502382278442
COP(=S)(OC)Cl,0.2889522910118103
[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.8407942652702332
ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.5039268732070923
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.4787774682044983
O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.34348171949386597
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.6398007273674011
CCOP(=S)(SCCl)OCC,0.44842642545700073
C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.35496172308921814
Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4347143769264221
CCCCOS(=O)(=O)C,0.29770487546920776
CNC(=O)ON.Cl,0.44562727212905884
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,0.3999253809452057
CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.3035023510456085
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.33767279982566833
N#CCCCCC#N,0.2953616976737976
[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9380813837051392
Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.5335147976875305
COCCOC(=O)C,0.43209773302078247
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,0.4884403347969055
O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.48217859864234924
O=Cc1ccc(cc1)O,0.5246429443359375
O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.38243192434310913
CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.3337554335594177
Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8207514882087708
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.46472954750061035
CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.4513606131076813
Cc1cc(C)c(c(c1)C)C,0.3223380446434021
Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.3972010612487793
CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.6071780920028687
C/C=C/C=O,0.5218180418014526
CC(CC1NC(=O)CNC1=O)C,0.17446763813495636
C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.7999342083930969
Cc1cncc(n1)C,0.36967629194259644
CC(=O)Nc1ccc(cc1)C,0.37424764037132263
O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.5253012776374817
COc1nncc2c1cccn2,0.5175466537475586
COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.5203134417533875
CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.44712725281715393
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.579602837562561
C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.3795563280582428
O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.35692131519317627
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.8075398206710815
Nc1nc2c(s1)cccc2,0.7578197717666626
C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.2665443420410156
CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.2712976038455963
Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8569414019584656
Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6175529360771179
COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.5826137065887451
Nc1cccc2c1c(N)c1c(n2)cccc1,0.7191718220710754
Cc1cc2n(C)c(nc2c2c1nccn2)N,0.693071186542511
CC(COC(=O)Cc1ccccc1)C,0.16742363572120667
O=NN1CCC[C@@H](C1)O,0.7222595810890198
[O-][N+](=O)c1cccc2c1c(C)ccc2,0.788467288017273
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.4845220148563385
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,0.4520312249660492
Cl/C=C(/C(Cl)Cl)\Cl,0.48914965987205505
Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5263112187385559
O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.3836359679698944
Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.46258360147476196
CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.13314945995807648
O=C1c2ccccc2Cc2c1cccc2,0.626935601234436
[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.6972989439964294
CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.7535461187362671
CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5630078315734863
NC(=S)NNC(=S)N,0.6174015402793884
CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.5229009985923767
COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.4117089807987213
Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.5663596987724304
CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.547332227230072
OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.3150254786014557
COC(=O)C1OC1c1ccccc1,0.37493234872817993
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,0.3978692889213562
CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.3960039019584656
O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.6349488496780396
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.8949686288833618
CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.4166502356529236
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.7692080736160278
COC(=O)CCC(=O)OC,0.4428035318851471
CCN(N=O)CC,0.628881573677063
CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.4377075135707855
[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.5940617322921753
CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.49758782982826233
NC(=O)CN1C[C@@H](CC1=O)O,0.4676923155784607
O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.43262091279029846
CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.5196865797042847
OC(=O)c1cccc(c1C)[N+](=O)[O-],0.4322364330291748
OC(=O)C=C,0.26898184418678284
CC(=O)CCOOCCC(=O)C,0.45062488317489624
OCC=C(CCC=C(C)C)C,0.4651145040988922
CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.3646416664123535
c1ccc2c(c1)c1ccccc1c1c2cccc1,0.7525628805160522
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.3462187349796295
CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.24800875782966614
Nc1nc(nc(n1)O)NC(C)(C)C,0.3943944573402405
CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.5886130928993225
C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.34445828199386597
COC(=O)C(=C)C#N,0.24128040671348572
CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.46619051694869995
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.7731995582580566
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.6639425158500671
O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.37762007117271423
C[C@H](CCl)O,0.5512045621871948
OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.720378041267395
[O-][N+](=O)c1ccc(c(c1)Cl)N,0.6460005044937134
Oc1ccc(c(c1)C)C,0.4178985059261322
O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.5524401068687439
OC(=O)c1cc(O)c2c(n1)cccc2,0.46956682205200195
Nc1ccc(cc1)F,0.4802432954311371
CCCN(N=O)CCC,0.47400355339050293
CC1=CC1,0.48310789465904236
C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.34791994094848633
CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.6043309569358826
C=CCN=C=S,0.4045955240726471
CC(c1ccc(c(c1)O)C)C,0.4082511365413666
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]1C2,0.3896348476409912
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.5470016002655029
OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.6394906044006348
ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.4392835199832916
c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.7279737591743469
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.552290678024292
[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.8125097155570984
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.5284349322319031
O=Cc1ccc2c(c1)OCO2,0.7730773687362671
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.3769872784614563
CCOCCOCCOCC,0.3464811444282532
Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.7503567934036255
OCC1=CCN2[C@H]1[C@H](O)CC2,0.5903077721595764
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.3495791554450989
Nc1cccc2c1nc1c(N)cccc1n2,0.745707094669342
O=NN(Cc1ccc(cc1)C)C,0.7647426724433899
CCC(C)(C)C,0.16645443439483643
CCCCN(CC(=O)C)N=O,0.557630717754364
ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.5216776728630066
NC(C(=O)O)CS/C=C/Cl,0.5395503640174866
NNC(=O)N,0.556817352771759
CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.6374309659004211
O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.6079118847846985
OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.4202389717102051
Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.4344891905784607
OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.6029037237167358
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.4843873083591461
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,0.36493057012557983
Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.6644057035446167
[O-][N+](=O)[C@@H](CC)C,0.46724358201026917
C(C[C@@H]1OC1)CC[C@@H]1OC1,0.4129961431026459
CN=NO,0.4407270848751068
C=CC(=O)NCNC(=O)C=C,0.3803122639656067
COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.351459801197052
O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.6301242709159851
Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.5285176038742065
O=c1cn[nH]c(=O)[nH]1,0.41579800844192505
Nc1cccc2c1cc1ccccc1n2,0.8328325152397156
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,0.2653868794441223
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8923866152763367
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.5636215806007385
c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.5761235952377319
CC(=O)Nc1ccc2c(c1)cccn2,0.6154288053512573
O=Cc1ccccc1O,0.5114715695381165
CCC/C=C(/C=O)\CC,0.41380366683006287
ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.5025392770767212
CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.21427886188030243
Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.8007286190986633
O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.8458577990531921
Oc1ccc(cc1)Cl,0.45014506578445435
Nc1ccc2c(c1)oc1c2cccc1,0.7654463648796082
C([C@@H]1OC1)Cc1ccccc1,0.6329343318939209
Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.6663123965263367
BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.40199875831604004
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.4849216341972351
CCN(c1ccc(cc1)N)CC,0.6808859705924988
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.5199351906776428
OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.5202908515930176
Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.40865954756736755
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,0.5202181935310364
Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.6140729784965515
Clc1cnc2c(c1C)cccc2,0.5258914232254028
O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.20703819394111633
O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.6334850788116455
Oc1ccc2c(c1)cccc2O,0.594831645488739
CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.187581866979599
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,0.3021880090236664
CN(N=O)C[C@@H](CO)O,0.5269042253494263
CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.7101345062255859
OC1COC(=C(C1=O)O)C,0.382207453250885
CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5969395637512207
OCc1ccc(cc1)F,0.49133723974227905
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,0.19544947147369385
[O-][N+](=O)c1ccccc1C(=O)C,0.5524101853370667
COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.6534389853477478
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5512309074401855
Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.35648348927497864
Clc1ccccn1,0.2348565310239792
O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.7226583361625671
CC(=O)OCN=[N+](C)[O-],0.5287986993789673
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.2660500109195709
Clc1cc(N)c(c(c1)C(=O)O)Cl,0.3443560004234314
O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6026836633682251
FC(OC(C(Cl)F)(F)F)F,0.44325828552246094
CC(C(=O)Nc1ccccc1)C,0.31089919805526733
COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.4595267176628113
[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.30088624358177185
Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.3775862157344818
ClC[C@H]1CO1,0.7076044082641602
CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.2774730324745178
ONc1ccc(cc1)N=O,0.6194213032722473
CN1C=CN(C1/C=N/O)CCOCC#C,0.5399630069732666
CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.7306950688362122
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.49786376953125
CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.704598605632782
OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.6456201672554016
CC(=O)OCc1ccccc1[N+](=O)[O-],0.4716251492500305
Clc1ccc(c(c1)C(=O)O)O,0.3046579957008362
COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.3843159079551697
OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.4573577344417572
CNc1ccc2c(c1C)nc(cn2)C,0.6326245069503784
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.6222332119941711
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)cccc1,0.4948931336402893
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.430992990732193
COc1cccc2c1OC1(C2(C)OO1)C,0.4089387357234955
BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.5630525946617126
OC(=O)C(CC(=O)O)CC(=O)O,0.30869513750076294
CCOC(=O)c1ccccc1N,0.4639155864715576
CCCCN(COC(=O)C)N=O,0.4944486618041992
O=C1OCC1(C)C,0.30034875869750977
[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.8361293077468872
ONC(=O)Cc1cn(cn1)N=O,0.4604853093624115
CN[C@H](Cc1ccccc1)C,0.4901115298271179
c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.7431037425994873
CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.5405794978141785
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.40955209732055664
COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.7337673902511597
OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.3898177444934845
Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.763990581035614
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.5058093070983887
[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.37515127658843994
Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.5178893804550171
CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.6413939595222473
CCn1c(N)nc2c1ccc1c2cccn1,0.6776243448257446
c1cnc2c(c1)C1OC1CC2,0.5587465167045593
Nc1ccc(cc1C)S(=O)(=O)O,0.4112352430820465
c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.46104517579078674
C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.7411936521530151
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,0.6505869030952454
NC(=O)N=NC(=O)N,0.5649735331535339
CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.5497595071792603
CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.4158112406730652
CCCCN(CC[C@H](O)C)N=O,0.4792584478855133
Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.26215916872024536
Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.5377415418624878
ClN1C(=O)N(C(C1=O)(C)C)Cl,0.25777626037597656
O=C1c2ccccc2-c2c1c1ccccc1cc2,0.6656039953231812
CCCC[C@H](C=O)CC,0.40883153676986694
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.7399839162826538
OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.35857462882995605
CC(OC[C@@H]1OC1)C,0.46081414818763733
COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.4522135853767395
O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.3558195233345032
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.5676273107528687
ClCc1cccc(c1)[N+](=O)[O-],0.7525057792663574
CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.49985402822494507
CC(C(=O)N(Cc1ccccc1)C)Br,0.4404642581939697
OC(=O)c1ccc(cc1)Cl,0.3998170793056488
O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.18828147649765015
[O-][N+](=O)c1ccccc1C(=O)N,0.4741862714290619
Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.570758044719696
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,0.4928951859474182
CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.467278391122818
Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.3533317446708679
Cn1c(N)nc2c1cc1ncccc1n2,0.567827582359314
Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6834803819656372
C=C1CC[C@H]2C[C@@H]1C2(C)C,0.2400854378938675
CCCCOC(=O)C(=C)C,0.16572539508342743
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9071820974349976
Cl/C=C(\SCc1ccccc1)/Cl,0.5408303141593933
CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.5092660188674927
CC[S@@](=O)CCSP(=O)(OC)OC,0.41966837644577026
N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.605334460735321
COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.4569823145866394
COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.41679200530052185
C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.42294493317604065
Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.5414865016937256
N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.421220600605011
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.5671041011810303
NC(=O)c1cccnc1,0.3408167362213135
O=NN1CC(=O)NC1=O,0.7082751989364624
CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.6372671127319336
COC1=CC(=O)C=CC1=O,0.5634888410568237
[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.6095272898674011
CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.29636073112487793
BrC(C(Br)(Br)Br)Br,0.3626653850078583
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5258208513259888
Oc1ccc(cc1)c1ccccc1,0.48383063077926636
OC(=O)COc1ccc(cc1Cl)Cl,0.20341503620147705
[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.7883056402206421
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.144057035446167
CNC(=O)Oc1ccc(cc1)c1ccccc1,0.3826881945133209
C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.2867361903190613
c1ccccc1,0.5440791249275208
C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.42294493317604065
O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.6896150708198547
COc1ccc2c(c1)C1CCCCC1C1C2O1,0.5409136414527893
COc1cccc2c1C1(C)OOC1(O2)C,0.35348790884017944
Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.6224371194839478
c1ccc2c(c1)c(OCC1CO1)ccc2,0.6675994992256165
Cc1cc2c(nc1N)[nH]c1c2cccc1,0.6058539748191833
O=CCC(c1ccc(cc1)C(C)(C)C)C,0.3460208475589752
Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.6473574638366699
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.44191527366638184
ONc1ccc(c(c1)Cl)Cl,0.5531948208808899
CN1CCOCC1,0.5235732197761536
c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.6308481693267822
O=C1C=Cc2c3c1cccc3ccc2,0.7263172268867493
C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5208685994148254
C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.4087325930595398
Oc1cc(Cl)cc(c1)Cl,0.29295042157173157
O=Cc1cccc(c1)[N+](=O)[O-],0.7112867832183838
CCCCN(CCC(=O)OC)N=O,0.4927695393562317
CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.398174911737442
C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.5109238624572754
Sc1nc2c([nH]1)cccc2,0.34808117151260376
CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.15841077268123627
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.2914486527442932
Clc1cccc(c1)NC(=O)N(C)C,0.451378732919693
Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.7057470083236694
COc1ccc2c(c1)[nH]c1c2ccnc1C,0.6756008863449097
O=NN(c1ccccc1)O,0.7604308128356934
OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.6205511093139648
OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.304297536611557
[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.8208030462265015
c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.6351373791694641
[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.8332034945487976
CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.3450204133987427
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.2487838715314865
Nc1ccc2c(c1)cc1c(n2)cccc1,0.7701882123947144
c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.7226158380508423
CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.5424970388412476
O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.3905138075351715
CN(C[C@@H](Cl)C)C,0.3772771954536438
Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.7285000085830688
CCC(Nc1snc2c1cccc2)C,0.5556357502937317
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7180749177932739
ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.7607535123825073
OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.3011489808559418
CC(OC)CCO,0.27588146924972534
COC(=O)C(Cc1ccc(cc1)Cl)N,0.23410096764564514
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.941903293132782
CCCCN(CCCC)N,0.5383340120315552
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.32723158597946167
Fc1cccc2c1ccc1c2cccn1,0.5849508047103882
OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.3061618208885193
OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.2875039577484131
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,0.4080101549625397
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.5240603089332581
Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.31442949175834656
C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.355015367269516
CN1CCNCC1,0.6312351226806641
BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.6916468143463135
C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5230128169059753
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.5284349322319031
OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.4995559751987457
O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.479909747838974
CCc1ccnc2c1cccc2,0.5127810835838318
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.777201771736145
O=C(OC(C)(C)C)CN=N#N,0.3310040533542633
Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.6523590683937073
Cc1ccc(c(c1)N)N,0.5048724412918091
Cn1c(N)nc2c1cc1ccncc1n2,0.633549153804779
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,0.23517584800720215
COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.5035800337791443
C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.47316938638687134
CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.5236897468566895
Cn1ncc(c(c1=O)Cl)N,0.5243197679519653
Oc1cc(Cl)c(c(c1)Cl)Cl,0.4254196286201477
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.24035024642944336
Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.13912831246852875
Nc1ccc(cc1)c1ccccc1C,0.6572853922843933
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.10087025165557861
CCOC(=O)CC(C)C,0.15089546144008636
c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.7409375309944153
CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.12827786803245544
O/N=C(/c1ccc(c(c1)O)O)\N,0.6233435273170471
CC(=O)ON(c1ccccc1C)C(=O)C,0.42029818892478943
Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.5981992483139038
[O-][N+](=O)c1ccccc1Cl,0.6072203516960144
Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.5241126418113708
C1CC[C@@]2(CO1)CO2,0.2857906222343445
ClCCCN(C)C,0.504551112651825
O/N=C/c1ccccn1,0.5500524044036865
NC(=O)c1cnccn1,0.35640954971313477
O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.3646458089351654
NC(=O)C1CO1,0.42722368240356445
ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5411070585250854
CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.29229459166526794
CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.6116961240768433
O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9113993644714355
NC(=O)NO,0.4713253378868103
COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6029998064041138
COc1ccc(cc1)Nc1ccc(cc1)OC,0.726432204246521
ClCC1=C(Cl)C(=O)O[C@H]1O,0.5196689367294312
NC(=O)CI,0.4951225817203522
c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.7584266066551208
[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.5885283350944519
Cc1ccc(c2c1cccc2)C,0.5608949661254883
O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.6992608904838562
OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.5878348350524902
Brc1cc(Br)c(c(c1)Br)O,0.4497326910495758
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.3964039385318756
Nc1ccc(cc1)c1ccccc1,0.6360841989517212
N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.2449437826871872
CC1=CC[C@H]2C[C@@H]1C2(C)C,0.32245001196861267
Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.4301828444004059
Clc1cccc(c1)Cl,0.24545475840568542
n1ccc(cc1)c1ccncc1,0.637736976146698
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6037783622741699
c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.7901167869567871
Fc1ccccc1c1ccccc1,0.585430920124054
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9165288805961609
[N-]=[N+]=NCCC(C(=O)O)N,0.4725021719932556
Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.5259656310081482
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,0.4360935091972351
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8874670267105103
N#Cc1ccccc1[N+](=O)[O-],0.6617560982704163
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.8869187235832214
O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.5774189233779907
O=C1c2ccccc2-c2c3c1cccc3ccc2,0.6520436406135559
Oc1ccc(c(c1)Cl)Cl,0.5420301556587219
C/C=C\c1ccc(c(c1)OC)O,0.4686545431613922
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.30912336707115173
O=S1(=O)CC=CC1,0.5572303533554077
OC(=O)c1cc(Cl)cc(c1)Cl,0.2235923558473587
O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.3014989197254181
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.882239043712616
Oc1ccc2c(c1)cc[nH]2,0.437106192111969
CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.5156534910202026
COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.5038077235221863
OC(=O)C1(N)CCCC1,0.2562960386276245
OC(=O)c1cccc2c1nccc2,0.3154265582561493
Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.6884812116622925
N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.3912690579891205
CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.2980806231498718
[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.8595916032791138
O=C1CCC(=O)N1c1ccc(cc1)Cl,0.33454927802085876
ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.8444032669067383
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,0.3278300166130066
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,0.3495979905128479
BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.5475658774375916
c1cc2ccc3c4c2c(c1)cnc4ccc3,0.7352957129478455
Cc1cccc2c1-c1ccccc1C2C,0.5418787002563477
CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.6540743708610535
Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.6959043741226196
N[C@H](C(=O)O)CS/C=C/Cl,0.5395503640174866
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4731501638889313
c1ccc2c(c1)nccc2,0.6807615756988525
CCC(=O)NCc1ccccc1,0.20089885592460632
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6323116421699524
CC([N+](=O)[O-])(Cl)C,0.42995238304138184
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.2400805950164795
O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.6860002279281616
BrCCCCCCCC(=O)O,0.3625459372997284
OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5472255945205688
CCN(N(N=O)O)CC,0.4605897068977356
S=C=NCCc1ccccc1,0.5861503481864929
Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.5569159388542175
COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6187215447425842
Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.5204042196273804
Nc1ccccc1SCSc1ccccc1N,0.5443161725997925
C1CCCCNC1,0.482262521982193
CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.22502735257148743
CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.5655947327613831
O=CN(c1ccc(c(c1)Cl)Cl)O,0.5687419176101685
Cc1ccccc1O,0.3725167512893677
COc1cc(N)ccc1NC(=O)C,0.4223942756652832
O=C(C(C)C)Nc1snc2c1cccc2,0.5007137060165405
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,0.30192410945892334
OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.6031395792961121
Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.37026017904281616
[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.778311014175415
CC(OC(=O)C(=C)C)C,0.2810988426208496
Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.6317480206489563
Nc1ncn[nH]1,0.3293573260307312
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.8427169919013977
COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.6951976418495178
Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.7253247499465942
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.22643086314201355
C=Cc1cccnc1,0.46526670455932617
O=C1CSC(=S)N1,0.4225456714630127
CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.19153769314289093
CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.34806275367736816
CC/C=C/C=O,0.2756364345550537
O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.2933840751647949
CCCCCCCC/C=C\CCCCCCCCN,0.22788019478321075
O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.6411813497543335
OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.4439016282558441
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.2288987636566162
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]21,0.5464463233947754
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,0.5017071962356567
ONc1ccc2c(n1)n1cccc(c1n2)C,0.6987703442573547
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,0.4453584551811218
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,0.58661288022995
BrCc1c2ccccc2cc2c1cccc2,0.6866403818130493
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.129699245095253
S=C=Nc1cccc2c1cccc2,0.5225706100463867
CCCCCc1cc(O)cc(c1)O,0.22798116505146027
OC(C(=O)O)Cn1cncn1,0.287791907787323
[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.6451819539070129
CCCCCCCCCCCCC=C,0.13834108412265778
O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.21243241429328918
CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.23377633094787598
CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.619573175907135
OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.6048628687858582
COc1ccc(cc1)CN(N=O)C,0.7099603414535522
[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.4205992817878723
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.256509006023407
NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.35671696066856384
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.3229016363620758
O=C1C=C(N)c2c(C1=O)cccc2,0.677130401134491
[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.38847190141677856
Clc1ccc(cc1)CC[C@@H]1OC1,0.5081842541694641
CCOC(=O)[C@@H](C(=O)C)Cl,0.5243607759475708
ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5558546185493469
O1COCOC1,0.2909398078918457
ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.7466360330581665
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.15813913941383362
OCCN(N=O)CCO,0.5140482783317566
c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.8023689389228821
O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.6866843700408936
CC(=O)Nc1snc2c1cc(Cl)cc2,0.5815728902816772
O=NN(CCCC(c1cccnc1)O)C,0.5652065873146057
OCCN(C(=O)OCC)N=O,0.48937731981277466
Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.6468719840049744
CCCCCCCCCCCCCCCC(=O)O,0.07226435840129852
O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.5618569254875183
OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.34004589915275574
OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.35727307200431824
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.7033697366714478
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.522696316242218
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.38568049669265747
Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6650694012641907
C/C=C/c1cccc(c1OC)OC,0.5277434587478638
O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.6247277855873108
CSCCl,0.46411675214767456
O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5734216570854187
NC(=O)Nc1ccc(cc1)C,0.46552973985671997
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,0.48772868514060974
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.41965189576148987
BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.4555688500404358
COS(=O)(=O)OC,0.43353408575057983
C1CCc2c(C1)cccc2,0.4609708786010742
FC(OC(C(F)(F)F)Cl)F,0.6490122079849243
O1CC1Oc1ccccc1,0.42556214332580566
CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.44492778182029724
NCC(=O)O.Cl,0.29316064715385437
CCCCCCCCCCCCCO,0.11505620181560516
OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.7226141691207886
OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.20778319239616394
CCCCOCCOCCO,0.3065660297870636
O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.46307533979415894
Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.6621843576431274
OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.28215697407722473
[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.5586534738540649
CC[C@H](N)C,0.19903436303138733
C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.4219464361667633
Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.812698483467102
CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.11815927922725677
CCCCOCCOCCSC#N,0.13645005226135254
Cc1cccc2c1nccc2,0.5236756205558777
ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8006950616836548
ClCC(CCl)O,0.5157819986343384
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.6340710520744324
CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4181355834007263
[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.7685860395431519
[O-][N+](=O)c1ccccc1O,0.5749452710151672
Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.31093961000442505
Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.43811923265457153
OC(=O)/C=C/Cl,0.47020965814590454
Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.5295998454093933
N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.5406662821769714
OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.3292791247367859
OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5427864789962769
C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.11892624199390411
O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.4096960425376892
NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.5163838267326355
CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.3956470489501953
N#Cc1cccc2c1nccc2,0.5511294603347778
ClCC1=C(Br)C(=O)OC1,0.519670307636261
CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.3881378769874573
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.12601174414157867
COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.37510910630226135
NC1CC(C)(C)N(C(C1)(C)C)O,0.2887544333934784
Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.4712582528591156
CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.4319973886013031
Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8213862180709839
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0.46070560812950134
Nc1cc(Cl)c(c(c1)Cl)Cl,0.5792176127433777
O=C1C(=O)c2c3c1cccc3ccc2,0.584492564201355
Nc1cccc2c1cccc2N,0.7034209370613098
CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.7772592306137085
OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.5033613443374634
BrCC(CBr)Cl,0.4979989528656006
O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.35245999693870544
[O-][N+](=O)[C@@H](CO)C,0.4659322202205658
COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.5298526287078857
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.6311705112457275
Oc1ccc2c(c1)nc(n2C)N,0.5341957211494446
COc1cc(Cl)nnc1c1ccccc1,0.3633314073085785
CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.650459885597229
COc1ccc(c(c1)OC)N,0.6217145919799805
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.39137816429138184
O=NN1CCSCC1,0.6938503384590149
CCCCCCCCCc1ccc(cc1)O,0.22058217227458954
O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.21340790390968323
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.3549441695213318
CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.20605416595935822
CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6665251851081848
CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.6613609790802002
O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.4758334755897522
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.6539870500564575
Clc1c(O)cc(c(c1Cl)Cl)Cl,0.4356617033481598
C1CCSCS1,0.20172318816184998
CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.5276161432266235
CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.24888749420642853
[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.603317379951477
Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.5958930850028992
Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.4884536862373352
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.5153189897537231
Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.595628023147583
OC(=O)/C=C/c1ccc(cc1)Cl,0.23398618400096893
COc1ccccc1N,0.596784770488739
c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.7461088299751282
C[C@H]([C@H](O)C)O,0.4218481481075287
O[C@@H](c1ccccc1)[C@H](N)C,0.4514417052268982
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,0.5682711601257324
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,0.5103440284729004
c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.6142338514328003
NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4664536118507385
OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.7170491218566895
Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.39503565430641174
COc1cc(N)ccc1N,0.6419210433959961
OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.4039039611816406
OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.1360284686088562
CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.30319443345069885
COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.10815594345331192
CC1=CC(=O)C(=CC1=O)C,0.534808874130249
CCCCCCCCSCN1C=CN(C1)C,0.4339068531990051
Clc1ccc2c(n1)cccc2,0.45650404691696167
Cc1cc(C)cc(c1)N,0.5241694450378418
COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.5915123224258423
Nc1ccc(c(c1)C(=O)O)O,0.2788335084915161
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8779066801071167
CN(C(=S)SNCCNSC(=S)N(C)C)C,0.48574838042259216
COc1ccc(cc1)C=O,0.5581291913986206
COP(=O)(OC)OC,0.36316221952438354
OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.5972090363502502
Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.7752982378005981
O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.5230191349983215
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.3042205572128296
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.3495979905128479
[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.6645135879516602
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,0.489767462015152
Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.693058967590332
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.17531052231788635
c1ccc(cc1)Cn1cncc1,0.6885573267936707
CC(=C)C=O,0.496967613697052
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.6180912256240845
OC(=O)c1sccc1S(=O)(=O)N,0.46968644857406616
NC(=O)C[C@H]1CO1,0.269756555557251
O=C1NCC[n+]2c1cccc2,0.42620715498924255
Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.6182757019996643
CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.6379941701889038
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,0.4581367075443268
CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.1986686885356903
Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.6152375340461731
OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.2354832887649536
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.3883238136768341
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,0.526887059211731
CNc1ncnc(c1)Oc1ccc(cc1)N,0.4742206633090973
Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8286862373352051
COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.5559724569320679
O(Cc1ccccc1)C[C@H]1OC1,0.537003219127655
O=C1CCCCCCCCCCCC(=O)OCCO1,0.17618216574192047
OC1C=CC=CC1O,0.5104974508285522
C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.32348769903182983
Clc1ccc(c(c1)Cl)C(=O)Cl,0.3339167833328247
Cc1ccc(c(c1)N)[N+](=O)[O-],0.6501098871231079
Nc1ccc2c(c1)[nH]c1c2cccc1,0.8229843378067017
Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.40602096915245056
OC(=O)c1ccccc1.[Na+],0.3803997337818146
OC(=O)CC(C(=O)O)N,0.2718069553375244
OCOC(C)(C)C,0.19497652351856232
COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5313067436218262
CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.8687657117843628
CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.42386120557785034
CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.450936496257782
Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8433651924133301
OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.4460790753364563
CCN(C(=N)N[N+](=O)[O-])N=O,0.6324329972267151
CN/N=N/C,0.4597560465335846
CCCCCCCCCCCCCCCCCC(=O)O,0.07222623378038406
Cc1nsc(c1)N.Cl,0.5190249085426331
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.417499303817749
c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.7524311542510986
CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.5295242667198181
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7612197995185852
S1CCSCC1,0.261369526386261
ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.8366236686706543
OCC12OOC2(C)c2c(O1)cccc2,0.459328830242157
CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.28828030824661255
N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.2859763503074646
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.5080787539482117
Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.7243215441703796
C[n+]1c2ccccc2cc2c1cccc2N,0.7202373743057251
O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.34246328473091125
CCc1ccc(cc1)C,0.35618215799331665
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,0.2635175287723541
Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.5823105573654175
CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.7941477298736572
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5396450757980347
C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.25528484582901
COc1ccc(cc1)CC=C,0.3950992822647095
NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.4307868480682373
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,0.45985984802246094
CCCN(c1snc2c1cccc2)C(=O)CCCl,0.5759514570236206
OCc1nc(N)nc(c1)C1CC1,0.4287540018558502
OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.2661130428314209
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.22694222629070282
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,0.5995427966117859
ClCCCCN(COC(=O)C)N=O,0.6961581110954285
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.44624361395835876
CC(C(C)(C)C)OP(=O)(F)C,0.2943207621574402
OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.30358007550239563
[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.8304964900016785
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.22302348911762238
CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.5408067107200623
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.17008572816848755
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9478774070739746
FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.20604261755943298
Cc1cc(C)c(cc1C)C,0.26833242177963257
CCCCOP(=O)(OCCCC)OCCCC,0.31754589080810547
CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.5859383344650269
OCC#C,0.26709476113319397
Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.3558041751384735
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.4144418239593506
CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.35349974036216736
CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.5585352182388306
OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.17823074758052826
c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.8023689389228821
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.2071395218372345
CC12OOC1Oc1c2cccc1,0.4786455035209656
O=c1ccc(c[nH]1)C(F)(F)F,0.4305732250213623
Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.6294423937797546
Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.4383302628993988
Nc1ccc(cc1)c1ccc(cc1)Cl,0.5167964100837708
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.34394246339797974
Oc1cccc(c1)Nc1ccccc1,0.5092412829399109
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.41721010208129883
NCCNCCNCCNCCN,0.5711574554443359
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.11369075626134872
ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.30612510442733765
CC(Nc1nc(O)nc(n1)O)(C)C,0.26145806908607483
OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5796641707420349
Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.5677412748336792
Nc1cccc(c1C)N.Cl.Cl,0.5633691549301147
O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.7294715642929077
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.6257923245429993
C1COC1=O,0.29683759808540344
Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.3044571280479431
C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.4203616678714752
OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.5643611550331116
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.5125918388366699
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.5876128673553467
O=C(C1(C)OC1)Nc1ccccc1,0.4606679379940033
CN(C(=O)Nc1ccc(cc1)Cl)C,0.5321611166000366
COc1ccc(c(c1)C(C)(C)C)O,0.3437626361846924
Fc1ccc2c(c1)sc(n2)C(=O)C,0.5804835557937622
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.5668582320213318
[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.8226890563964844
Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.532073438167572
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.5823218822479248
CC[C@H]1CO1,0.5025001764297485
BrCCBr,0.42167577147483826
O=C1OC(=O)c2c1cccc2,0.37672558426856995
O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6626313328742981
N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.22943386435508728
CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.549163281917572
COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.4938147962093353
Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.66548091173172
CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.6600204706192017
ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.5971359014511108
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.27121251821517944
ONc1nc(N)nc2c1[nH]cn2,0.6060336828231812
Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.7029274702072144
[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.7496172785758972
CCc1cccc(c1N)C,0.4336664080619812
COc1c2ccccc2[n+](c2c1cco2)[O-],0.6239520311355591
CNC(=O)Nc1cccc(c1)C(F)(F)F,0.4017518162727356
CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.4668615460395813
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.20822104811668396
O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.4029732644557953
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.320849746465683
BrCC(=O)N(Cc1ccccc1)C,0.5646722912788391
Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.6033169031143188
CC(=O)Nc1cccc2c1nccc2,0.5863508582115173
Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.526919960975647
NCC(=O)Nc1ccccc1,0.5329362154006958
[O-][N+](=O)c1ccccc1[O-].[Na+],0.608558714389801
C=COCC(F)(F)F,0.3542135953903198
C[C@H]1CCOS(=O)(=O)O1,0.3381578326225281
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.37363630533218384
Nc1ccccn1,0.3237176537513733
Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.5326496362686157
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.6784342527389526
CN([N+](=O)[O-])C,0.5041313171386719
CCCCOC[C@H]1CO1,0.2738304138183594
CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12391278892755508
N=c1nc[nH][nH]1,0.4924314618110657
ONc1cc2c([nH]1)cccc2,0.5686185956001282
OC(=O)c1ccc(c(c1)N)C,0.42621931433677673
O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.6136923432350159
Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.39806804060935974
c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.7395550012588501
CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6962814331054688
NCCCl,0.5710723400115967
OCCCl,0.5233790278434753
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.5826023817062378
OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.4002230763435364
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.29711800813674927
[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.6175001859664917
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,0.4009101986885071
Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.5017582178115845
Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.5995751023292542
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9558212161064148
NCCNCCNCCNCCNCCN,0.5532410740852356
C/C=C\C=C,0.2860317826271057
Brc1cccc(c1)[N+](=O)[O-],0.5841880440711975
BrC(c1ccccc1)C(=O)NCc1ccccc1,0.49810990691185
c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.8039675951004028
O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.472355455160141
CCc1cc(cc(c1N)CC)c1ccccc1,0.46725401282310486
C/C=C/c1ccc(c(c1)OC)O,0.4686545431613922
O=NN1CCC(=O)CC1,0.5634379982948303
CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.5876635313034058
[O-][N+](=O)[C@@H](CC)Cl,0.5167460441589355
N#N=NCc1ccccc1,0.7641502618789673
[O-][N+](=O)c1cccc(c1C)N,0.629806399345398
CCCCCCCCO,0.25611206889152527
CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.3763881027698517
CSc1cc(SC)c(c(c1N)C)N,0.5307658910751343
CCN(c1ccccc1)N,0.6420378684997559
[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7523781657218933
BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.4423738121986389
CCCc1cc(O)nc(n1)S,0.09952211380004883
OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.23310251533985138
ClCCN(c1ccc(cc1)C)CCCl,0.5560610294342041
NC(=O)c1ccccc1,0.41400593519210815
N[C@@H](C(=O)O)Cc1ccccc1,0.2808874249458313
O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.41083234548568726
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.3954903185367584
CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.2920364439487457
O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.6220024824142456
CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.48388656973838806
CC(=O)Nc1cnc2c(c1)cccc2,0.5723459124565125
N#CCc1ccccc1[N+](=O)[O-],0.6146818995475769
Cc1ccc(c(c1)C)O,0.3492254316806793
CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.4512968063354492
O=NN(Cc1ccc(cc1)C(=O)O)C,0.5156065225601196
COC(=O)C1=CCCN(C1)C,0.41976985335350037
O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8992185592651367
Cn1c(O)nc(nc1=O)NC(C)(C)C,0.4745357036590576
n1ccc(cc1)c1ccccn1,0.5621005296707153
CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.2248009443283081
CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.16947515308856964
CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.3586302399635315
CC(=O)Nc1cccc2c1cccn2,0.4729326367378235
OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.658544659614563
C=CCOC(=O)CC(C)C,0.19885917007923126
COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4212234914302826
Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.7372311353683472
CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.6074050664901733
ClCCOC(=O)Cl,0.3922484219074249
ClCc1c2ccccc2c(c2c1cccc2)C,0.6055728793144226
O=C/C=C/C=C/C=O,0.5588279962539673
CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.5482295751571655
O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.4279620051383972
Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.7280772924423218
[N-]=[N+]=NCCc1ccccc1,0.6517472267150879
COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.32846805453300476
OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.42909592390060425
CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12391278892755508
OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.33801883459091187
N#Cc1ccc(cc1)[C@]1(C)OC1,0.6760298013687134
Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6118708848953247
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.643081784248352
C/C=C(\C=O)/Cl,0.45893168449401855
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,0.2598884105682373
Oc1ccccc1/C=N/c1snc2c1cccc2,0.6331585049629211
CNC(=O)N(C(=O)NC)O,0.42702826857566833
Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.3070145547389984
Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.6188020706176758
NN(C(=O)C)C(=O)C,0.45874038338661194
CCc1nccc(c1)C(=S)N,0.30222299695014954
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.3217715620994568
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.7600138187408447
Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.43215474486351013
OCCNC(=O)N(CCCl)N=O,0.5979737043380737
BrCC(=O)Nc1ccccc1,0.5204874277114868
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,0.23949380218982697
c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.37988656759262085
C1NCCS1,0.44401511549949646
Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6064717769622803
O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.6430954933166504
CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.6704632043838501
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.38192304968833923
CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.2694532871246338
ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.7438287734985352
CCOC(=O)CNC(=O)[C@H](Br)C,0.3485157787799835
CCCCCCCC[C@H]1CO1,0.32920408248901367
OC(=O)C(Cl)(Cl)Cl,0.340687096118927
[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.6992664933204651
ClC(=O)CCc1ccccc1,0.3035343885421753
COc1ccc(ccc1=O)[N+](=O)[O-],0.7107833623886108
Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.4272066652774811
OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.4039039611816406
COc1nc2c(CBr)cccc2nc1OC,0.5692638158798218
[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8755415081977844
[O-][N+](=O)/C=C/c1ccco1,0.6170217394828796
OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.5663480162620544
Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5358530282974243
Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.6338687539100647
CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.4044187664985657
[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.7080066800117493
O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.36156290769577026
Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.821397602558136
Oc1ccc(cc1)O,0.45740756392478943
CCCCCCCCCCCl,0.21789924800395966
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+],0.5682711601257324
[O-][N+](=O)c1ccc(c(c1)N)N,0.6511488556861877
CCCCCC[C@@H]1OC1,0.3391879200935364
Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7484383583068848
C1CCCCCC2C(CCCC1)O2,0.4543721675872803
C=CC(=O)N1CCN(CC1)c1ccccc1,0.4526499807834625
Clc1cc(Cl)c2c(c1)c(N)sn2,0.6474427580833435
BrN1C(=O)CCC1=O,0.36164921522140503
OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.5051724314689636
CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.7099995613098145
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.5203651189804077
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.46836036443710327
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.37890395522117615
NC(=O)Nc1cccc2c1nccc2,0.7065491676330566
O=NN1CCC[C@@H](C1)Cl,0.7773967385292053
CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C,0.3982850909233093
CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.3231525719165802
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.4231400489807129
C[C@@]1(CO1)[C@H]1CO1,0.38675588369369507
Oc1ncnc2c1cccc2,0.49288836121559143
COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.7589651346206665
Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.6490195989608765
Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.5666120648384094
OCC(CO)O,0.45408374071121216
CCCCN(/C(=N/O)/C=O)N=O,0.5872729420661926
BrC[C@H]1CO1,0.5587060451507568
COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.702627956867218
OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.45815253257751465
CCCCCN(CCCCC)CCCCC,0.22453932464122772
CCN(c1ccccc1)CC,0.45337215065956116
CC(=O)C=C,0.32907670736312866
CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.8975411653518677
O=C(Nc1ccc(cc1)C)CC(=O)C,0.3656620681285858
CC(c1ccc(nc1)C(F)(F)F)O,0.3563608229160309
CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.5810712575912476
OS(=O)(=O)c1cccc2c1nccc2,0.34338563680648804
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.33208101987838745
CCCCNc1snc2c1cccc2,0.5886720418930054
CCCCCCC1OC1,0.32438918948173523
CC[C@H]([N+](=O)[O-])CO,0.42774900794029236
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.22119887173175812
O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.3825504183769226
COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5851645469665527
CC(=O)N,0.2676636576652527
[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.6106777191162109
[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.5406861901283264
CCC[C@H]([C@H](CO)CC)O,0.4154055118560791
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.401785284280777
Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.5336589217185974
C=CC=C,0.4928969740867615
CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.49622616171836853
OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.5159615278244019
[O-][N+](=O)c1ccccc1,0.6509109735488892
CC[C@H]([N+](=O)[O-])[C@H](O)C,0.30427104234695435
Cc1cc(C)c(c(c1)C)N,0.5132373571395874
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.17870905995368958
O=NN1CCNC1=O,0.7413767576217651
CON,0.4178283214569092
Cn1cnc2c1ccc1c2cccn1,0.7812612056732178
NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.49979859590530396
Nc1ccc2c(n1)[nH]c1c2cccc1,0.7520217299461365
[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.3172341287136078
CCCCN(CCCC)CCO,0.4040301442146301
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.6858583092689514
O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.14184324443340302
NC(=O)c1ccc(cc1)[N+](=O)[O-],0.5146436095237732
CCP(=O)(OCC)OCC,0.3479287922382355
O=Cc1cccnc1,0.45795416831970215
O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.6974412202835083
NC(=S)Nc1cccc2c1cccc2,0.6282569169998169
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.34213903546333313
OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.3514287769794464
CCCCCC(=O)OCC=C,0.24501633644104004
O=NN(C(=O)c1c(NC)ncn1C)C,0.6876883506774902
Cc1c(NC)ccc2c1nccn2,0.6879499554634094
CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.528410792350769
OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.4933955669403076
CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.6136633157730103
OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.7044779658317566
Clc1nnc(c(c1)O)c1ccccc1,0.30619123578071594
O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.5895240902900696
CC(=O)OC=C,0.3001822829246521
CCCBr,0.43688592314720154
c1ccc2c(c1)c(CCC1CO1)ccc2,0.756645679473877
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.28049609065055847
COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.28648141026496887
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]21,0.5554072260856628
COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5138859748840332
C/C(=N/O)/C(=O)C,0.45347851514816284
COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.5247114896774292
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.42486077547073364
OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.5007829070091248
CC(=C)C(=O)O,0.2106669694185257
Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.41104769706726074
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.1283077448606491
Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.23622456192970276
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,0.4383215308189392
O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.21607184410095215
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.23831205070018768
N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9484626650810242
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.6401539444923401
CC(Nc1snc2c1cccc2)C,0.5721231698989868
O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.7257639765739441
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.5225979089736938
OC(=O)CC[C@@H](C(=O)O)N.O.N,0.3086370825767517
Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.5930701494216919
Cc1ccccc1Br,0.4113246500492096
CCOP(=O)(OCC)OCC,0.39639443159103394
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.2925773561000824
OC(=O)C1CC1,0.2308981865644455
CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.13725993037223816
Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.555679976940155
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.929682731628418
OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.37069299817085266
[O-][N+](=O)NC(=N)N(N=O)CCC,0.6517118811607361
COC(=O)c1ccc(cc1)C(=O)OC,0.5785082578659058
COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.3379582464694977
O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.41560477018356323
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,0.44988662004470825
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.6721133589744568
OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.5149313807487488
O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9214951395988464
CC(CN(CC(C)C)CC(C)C)C,0.15495535731315613
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.2547398507595062
ClCC(=O)c1ccccc1,0.603937566280365
Cc1ncc(nc1)C,0.42192721366882324
Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.2671472430229187
OCC(C(C(C(C(=O)O)O)O)O)O,0.47315898537635803
CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.2500191032886505
OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5321334004402161
ON1C(C)(C)CC(C1(C)C)C(=O)N,0.3125684857368469
CCCCCCCC(=O)Cl,0.20895695686340332
O=c1[nH]cc(cc1Cl)C(F)(F)F,0.45667022466659546
OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.5101742744445801
CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.49950718879699707
COc1cc(C=O)ccc1OC,0.5341693758964539
[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9521468281745911
CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.44664448499679565
CC(=O)C1(CCNCC1)c1ccccc1,0.5053741931915283
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.12072642147541046
ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.8196441531181335
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.3112066686153412
Clc1cccc2c1nccc2,0.4509105682373047
O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.5437791347503662
CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.30928295850753784
ClCC(=C)Cl,0.45581674575805664
C[C@H](c1ccccc1)O,0.4888778626918793
[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.902849018573761
Nc1ccc2c(-c3ccccc3C2)c1,0.7087295651435852
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.526118278503418
ClC1CCN(CC1)N=O,0.8720777630805969
CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.5159257650375366
Nc1nc2c(n1C)ccc1c2cncc1,0.6902764439582825
[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.5743502378463745
ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.5638896226882935
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.2693285048007965
CCCCCCCCCCCC(=O)N(CCO)CCO,0.40079593658447266
NC(C(=O)O)CSC(=O)NCCCl,0.5554684400558472
O=CC[C@H](CCC=C(C)C)C,0.3911105990409851
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6436408162117004
CS(=O)C,0.33932554721832275
CCCCN1C2C1c1ccccc1-c1c2cccc1,0.5557119846343994
CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.2825469374656677
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.8600168228149414
ONc1cccc(c1)C,0.5389493107795715
ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.7533356547355652
C/C=C/CC#N,0.36255958676338196
OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.5260152816772461
ONc1ccc(c(c1)[N+](=O)[O-])C,0.5375788807868958
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.3977281153202057
CCN(C(=S)SCC(=C)Cl)CC,0.23665544390678406
C=CCN(CC=C)N=O,0.6124870777130127
CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.5536999106407166
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,0.5480583906173706
O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8506125211715698
CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.19517731666564941
BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.5039493441581726
Cc1cnccn1,0.2203444540500641
CCCC[C@H]1CO1,0.41757211089134216
Cc1cccc2c1cccc2,0.6226439476013184
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.22614488005638123
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.48607391119003296
CNc1ccccc1,0.5506170988082886
Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.42012324929237366
Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.603121280670166
OC1C=Cc2c(C1O)ccc1c2cccn1,0.5801832675933838
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,0.5127020478248596
OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.3563286364078522
NCCc1c[nH]c2c1cc(O)cc2,0.5103649497032166
Nc1ccc(c(c1Cl)Cl)Cl,0.5258496999740601
O[C@@H]1OC(=O)C(=C1Cl)Cl,0.29419952630996704
Nc1cccc2c1ccc1c2cccc1,0.8808479309082031
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.755304217338562
C1CCC(CC1)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.526485800743103
CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.5674132704734802
COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.4218814969062805
OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.5998536348342896
COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.5309016108512878
O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.7343363165855408
CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.2383752167224884
O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.4464332163333893
C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.23669204115867615
[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.5750325918197632
COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.5454930067062378
O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.3348340690135956
ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.42225489020347595
Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.6863870024681091
Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.6000450849533081
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.4739903509616852
OC(=O)CBr,0.4037542939186096
[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8092582821846008
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5012748837471008
[O-][N+](=O)c1ccc2c(c1)NCC2,0.8830028772354126
O=C1c2ccccc2-c2c1ccc1c2cccc1,0.685723602771759
c1ccc(cc1)N=Nc1ccccc1,0.6052635908126831
CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.28615298867225647
N#CC1=C(SCCS1)C#N,0.22316722571849823
CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.3466240167617798
[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9368675351142883
CCC(=O)Nc1snc2c1cccc2,0.4016457498073578
O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.5069272518157959
CCOc1ccc(cc1)N,0.610479474067688
Clc1ccc(c(c1)Cl)N,0.544804573059082
OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.48501983284950256
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.30626681447029114
O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.4368689954280853
CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.5910673141479492
OCC(C(c1ccccc1)N=N#N)O,0.6292825937271118
CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.21210388839244843
Clc1ccncc1,0.264598548412323
COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.6887138485908508
COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.6292946934700012
c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.9154731035232544
CCOc1snc(n1)C(Cl)(Cl)Cl,0.17286835610866547
C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.3720233142375946
CCCCCOc1ccc(cc1)N=O,0.3963429927825928
Cc1ccc(cc1)C(C)(C)C,0.25968486070632935
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,0.5017361640930176
OCCCBr,0.5043633580207825
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.914984405040741
Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7736645340919495
Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.580976665019989
ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.4873497486114502
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.5858142971992493
Clc1cc(Cl)c(c(c1)Cl)Cl,0.22502227127552032
COc1ccc(cc1)C=C,0.4705736041069031
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.2061244249343872
ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9620455503463745
ONc1ccc(cc1)[N+](=O)[O-],0.5677353143692017
C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.4722471833229065
CC(c1cccc(c1O)C(C)(C)C)(C)C,0.36978909373283386
CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.3985725939273834
S=C(Nc1ccccc1)Nc1ccccc1,0.44897323846817017
[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9574715495109558
[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8130073547363281
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.25465232133865356
CCCCCCCCCCCCCCCCCCCC,0.2469896525144577
CC(COS(=O)(=O)C)C,0.2610797882080078
Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.5303698182106018
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.3727618157863617
NCC(=O)Nc1ccccc1.Cl,0.5577884912490845
[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9536374807357788
COc1c2cccc(c2nc2c1cco2)O,0.6215721368789673
O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.4497494101524353
C1CNCCO1,0.5789107084274292
CCN(C(=O)Cc1ccccc1)CC,0.47883185744285583
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,0.5445029139518738
Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9412291646003723
ClCCCC(=O)N(c1snc2c1cccc2)CC,0.5971006155014038
O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.6248288750648499
OCc1ccc(cc1)O,0.5153185725212097
COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.4836333394050598
CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.3585021197795868
COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.27582287788391113
CC(COC(=O)C(=C)C)O,0.2495661973953247
O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.4386170506477356
ClC[C@@H](CBr)Cl,0.44743800163269043
C=CN1CCCC1=O,0.41922444105148315
CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.21711793541908264
Cc1ccc(o1)C,0.4630928039550781
C1CC=C2C(C1)CCc1c2cccc1,0.44122061133384705
c1ccc(nc1)c1cccnc1,0.30633097887039185
ClC(=O)c1ccc(cc1)C,0.5155001878738403
Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.8333647847175598
C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.38133588433265686
CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.24138572812080383
OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.2172446995973587
NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.907436192035675
CCSCC[C@@H](C(=O)O)N,0.39224907755851746
COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7952735424041748
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,0.503426194190979
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.5124411582946777
COC(=O)c1ccc(cc1)C,0.43396157026290894
O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.38721078634262085
ClCC=CCCl,0.6041765213012695
Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.508639395236969
CCOC(C(=O)C(O)O)C,0.46277308464050293
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9637992978096008
OC(=O)/C=C/c1ccc(cc1)N,0.47368907928466797
[O-][N+](=O)c1cccc2c1csn2,0.8650366067886353
CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.4339480400085449
[O-][N+](=O)c1ccc2c(c1)cns2,0.8363265991210938
OC1C=Cc2c(C1O)ccc1c2cccc1,0.645214319229126
OC(=O)C(Cc1ccc(cc1)O)N,0.3414841592311859
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+],0.20383305847644806
C=CC(=O)OC(C)(C)C,0.2935296893119812
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.47291046380996704
C=CCc1ccc2c(c1)OCO2,0.47314921021461487
ClCCN(CCCl)C,0.7614938616752625
BrCCOC(=O)C=C,0.48367103934288025
CCCO,0.30884161591529846
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9331599473953247
ClC[C@H](Cl)C,0.28792738914489746
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.41448450088500977
COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.6382273435592651
CCCCN=NC(OO)(C)C,0.5019721984863281
CCOC(=O)C(C(=O)C)Cl,0.5108842849731445
ClC(=O)c1ccccc1F,0.43911051750183105
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)OCc1ccccc1,0.3409850597381592
Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.8545687794685364
C=C[Si](Cl)(Cl)C,0.37487632036209106
ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.4539419114589691
Nc1ccc(cc1)Oc1ccc(cc1)N,0.5798185467720032
FC(C(C(F)(F)F)F)F,0.5108762383460999
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8750051259994507
O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.5245164036750793
ClCc1ccccc1CCl,0.6149921417236328
ClC(C1=C(Cl)C(=O)OC1)Cl,0.4619920253753662
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.5029747486114502
Oc1nc(Cl)nc(n1)Cl,0.14104552567005157
C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.39883115887641907
Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.5069342851638794
CC(=O)N[C@H](C(=O)O)CSCCCl,0.3673856258392334
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)CC1CCCCC1,0.32787084579467773
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.19290773570537567
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.40598973631858826
OC[C@@H](CBr)Br,0.5072697401046753
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,0.5269035696983337
O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4467296600341797
COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.4357295036315918
Clc1cccc(c1)Br,0.2536190152168274
FC(C(Cl)(F)F)(Cl)F,0.426859050989151
N[C@@H]1CC[C@H](CC1)N,0.4385763108730316
CC(CC(=O)Nc1ccc(cc1)O)O,0.34570252895355225
Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.5812453627586365
CCOC(=O)N,0.35312899947166443
O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.5372978448867798
Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.5729619264602661
COc1cccc(c1O)C=O,0.5208370685577393
OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.5646028518676758
[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.7040822505950928
Fc1cnc2c(c1)cc(c1c2cccc1)F,0.6815112233161926
CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.23939184844493866
Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.3567621111869812
CCN(C#N)N=O,0.7062546014785767
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.5247232913970947
COc1cccc(c1)[N+](=O)[O-],0.6065601110458374
O[C@@H]1COC(=C(C1=O)O)C,0.45589596033096313
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.49753332138061523
N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.4547714591026306
Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7304965853691101
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+],0.4874911904335022
OC(=O)COc1ccc(cc1)Cl,0.365875244140625
NNc1nncc2c1cccn2,0.7818227410316467
O=CN(c1ccccc1)O,0.587732195854187
ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.15431641042232513
[O-][N+](=O)c1ccc(c(c1)N)O,0.6004452705383301
ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8858041763305664
CCc1cccc2c1nccc2,0.36031267046928406
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9441466331481934
Cc1cc(nc(n1)N)C1CC1,0.37232670187950134
Fc1cccnc1,0.4314759373664856
CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.38773635029792786
Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.5668581128120422
CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.3779367208480835
Clc1ccc2c(c1)nsc2N,0.6356188654899597
CC1(CO1)C=C,0.519403338432312
O=C1CCCCC1=O,0.302614688873291
CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.1662774235010147
OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.2856799066066742
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,0.41792482137680054
OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.5019499063491821
C1CC2=CC3C(C=C(C1)O2)O3,0.43016499280929565
CNS(=O)(=O)c1ccc(cc1)N,0.5235627293586731
COP(=O)(OC=C(Cl)Cl)OC,0.4696689546108246
OCC(CBr)(Br)C,0.5028473138809204
c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.670442521572113
C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.19981437921524048
CCN=NO,0.19638606905937195
N#CCC[C@H](C#N)C,0.2054908573627472
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.6077008247375488
OCCc1ccc(cc1)N(C)C,0.46078816056251526
Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.4067310690879822
Nc1ccc2c(c1)c(Cl)ns2,0.6079503297805786
OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.5471166372299194
CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.5448574423789978
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.5860201120376587
[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.7347589731216431
NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5053368210792542
[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.8319284319877625
O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.4694612920284271
Cc1ccc(c2c1n(C)c1c2cccc1)C,0.7276718020439148
O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.6667481660842896
CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.5502105951309204
OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.2178671658039093
Oc1[nH]nc2c1cccc2,0.35187655687332153
Clc1ccc(cc1)S(=O)C,0.4875265657901764
O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.42899090051651
[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.6884945034980774
OCCOc1cc(Cl)c(cc1Cl)Cl,0.4532991349697113
Fc1ccc2c(c1)cccn2,0.5987333059310913
C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.8102710843086243
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.21967773139476776
O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.5398591160774231
Cc1cc(ccc1N)/N=N/c1ccccc1C,0.5694183111190796
CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.654209315776825
OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.5308001041412354
OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.2880846858024597
CCOCCOC(=O)C,0.46543997526168823
ClCc1ccc(cc1)Br,0.5919800996780396
Clc1nncc2c1cccn2,0.33398646116256714
Nc1cccc2c1nc1ccccc1n2,0.874598503112793
Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.41188016533851624
Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.46714311838150024
[O-][N+](=O)c1ccc(o1)CNCCO,0.5465866327285767
Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6206686496734619
O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.6650789380073547
NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9418584108352661
CC/C=C/C=C/C=C/C=C/C=O,0.45287203788757324
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.5943349599838257
OC(=O)c1cccnc1,0.2222699373960495
CC/N=N/O.[K+],0.19638606905937195
CC(=CC1C(C1(C)C)C(=O)O)C,0.42637985944747925
O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9593610763549805
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9314830899238586
COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.47572827339172363
Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.812077522277832
OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.5895202159881592
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.6548517942428589
c1ccc2c(c1)cc1c3c2cccc3C=C1,0.9156281352043152
OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.6836678385734558
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.5092955231666565
Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.5788320302963257
Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.6155806183815002
CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.24796879291534424
COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.4261959493160248
CC(=O)C,0.3492752015590668
Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.3537522852420807
CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.40457478165626526
[O-][N+](=O)CCC(=O)O,0.3281319737434387
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.5284722447395325
CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.4701046347618103
COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.5097724795341492
C[C@H](CN(C[C@H](O)C)N=O)O,0.4710603654384613
CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.365817129611969
OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.6351882219314575
OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.45835059881210327
COc1c2OCOc2cc2c1nc1occc1c2OC,0.5598081350326538
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.41949042677879333
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.953353762626648
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,0.51360023021698
COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.5251997709274292
Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.5054928660392761
CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.6283291578292847
Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.481602281332016
COC1=C(OC)C(=O)C(=CC1=O)C,0.5055309534072876
Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.6310592889785767
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7259857654571533
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.4594084322452545
OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.5110938549041748
[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.526862621307373
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,0.20499257743358612
CCCOC(=O)c1ccc(cc1)O,0.1992851197719574
Cc1cscc1,0.4651612341403961
OCC(Cc1ccccc1)CN=N#N,0.6871970891952515
N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.41128864884376526
BrCc1ccccc1[N+](=O)[O-],0.7753344774246216
Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.6293821930885315
[O-][N+](=O)c1ccccc1Br,0.6628042459487915
O=C1c2ccccc2CCc2c1cccc2,0.49607282876968384
ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9097463488578796
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.7559074759483337
C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.6405803561210632
c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.8825345039367676
CC(C1CCC2(CC1)OC2)(C)C,0.3587146997451782
BrCC(=O)NCc1ccccc1,0.5414897799491882
Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.563039243221283
COc1cc(CNC(=O)C(Br)C)ccc1OC,0.5229905843734741
COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6151918172836304
N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.525759756565094
COCCl,0.5596416592597961
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.5557948350906372
COP(=O)(SC)SC,0.44014638662338257
OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.5349279642105103
BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.6592826843261719
COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.5402069687843323
COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.6550897359848022
C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.5089011192321777
CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.46018534898757935
Nc1c2ccccc2cc2c1cccc2,0.8559778928756714
COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.4763737618923187
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,0.4432528614997864
[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.6619790196418762
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.2117823362350464
[O-][n+]1c[nH]c2-c(c1N)ncn2,0.7367097735404968
CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.5026649832725525
COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5943815112113953
CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.43385905027389526
COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.7013436555862427
Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.550690770149231
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,0.5028085708618164
O=Nc1cccc(c1C)[N+](=O)[O-],0.6976749897003174
Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.5680245161056519
CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.27481788396835327
COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.7354741096496582
CC(COC(=O)C=C)O,0.35341888666152954
COP(=O)(O)O,0.4040753245353699
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,0.5236976742744446
C/C(=N/O)/CC,0.3038914203643799
Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.7700202465057373
Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.568916916847229
c1ccc(cc1)c1ccccc1c1ccccc1,0.6052445769309998
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.23570699989795685
CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.4690397381782532
NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.60167396068573
CCCCCCCCCCCC=C,0.19675831496715546
Clc1ccc(c(c1)[N+](=O)[O-])C,0.5346373915672302
O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.31720346212387085
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.36380553245544434
c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8080748319625854
C/C(=C\C)/CCl,0.5205333828926086
O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.3088380694389343
ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5638896226882935
Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.6068060398101807
[O-][N+](=O)NC,0.4930431842803955
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.48193711042404175
Clc1cc(N)c(c(n1)C(=O)O)Cl,0.25434359908103943
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.5082134008407593
CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.537502646446228
NC(=O)N,0.4315035343170166
Fc1ccccc1,0.48732656240463257
Cc1ncc2c(n1)CCC2,0.18956738710403442
COc1cc2cccnc2c(c1)[N+](=O)[O-],0.6554805636405945
CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.34112662076950073
COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.5528168678283691
CN(C(=O)OCC)N=O,0.5063422322273254
OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.6103143692016602
Oc1ncnc(c1)O,0.2054499387741089
O=c1oc2cccc3c2c2c1cccc2cc3,0.7056905031204224
CCCCCCC=O,0.2836792767047882
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,0.5217709541320801
[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.8470084071159363
O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.1397528201341629
CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.4750676155090332
CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.4851612150669098
Cc1ccc(cc1)Br,0.4528796076774597
Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.5052134394645691
Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.4973467290401459
COc1nsc2c1cc(OCC1CO1)cc2,0.7639109492301941
[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.4848325848579407
CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.4596739411354065
CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.4705764353275299
OC(=O)c1ccccc1O.[Na+],0.3701104521751404
CC(=N)S,0.28153538703918457
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.3961319327354431
OC(=O)C(CC(=O)c1ccccc1N)N,0.41521620750427246
OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.5537001490592957
OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.3788709044456482
NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.6032865643501282
c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.8010240793228149
O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.7147558927536011
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.30625951290130615
c1ccc(cc1)/C=N/c1snc2c1cccc2,0.6194640398025513
Cc1cc(ccc1N)N=Nc1ccccc1C,0.5694183111190796
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.7559074759483337
OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.5267399549484253
CCCCSCCC(C(=O)O)N,0.2937026619911194
COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.5548755526542664
CC1CS1,0.2508961260318756
CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.17750981450080872
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,0.5201585292816162
CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5140989422798157
Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.5381268858909607
[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.5541158318519592
Clc1ccc(cc1)S(=O)(=O)C,0.4046576917171478
OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5053368210792542
O1C[C@@H]1Cc1ccccc1,0.6468470692634583
O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.3350551128387451
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,0.5135488510131836
O=CC1=CCC(CC1)C(=C)C,0.4323255121707916
c1cnc2c(c1)C1OC1C=C2,0.7843122482299805
Oc1ncc(c(n1)O)F,0.43967685103416443
Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.7346426844596863
FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.535331130027771
c1cccs1,0.3648841977119446
O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.6336656808853149
O=NN(CC(=O)C)C[C@H](O)C,0.361297607421875
c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.8878218531608582
O=Cc1ccc(o1)[N+](=O)[O-],0.5718956589698792
CNC[C@H](c1cccc(c1)O)O,0.48919209837913513
OC(=O)CC(C(=O)O)O,0.4082614779472351
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.4593753218650818
COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.5028411746025085
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.5407654643058777
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,0.5203486680984497
OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.4902849793434143
O=C/C(=C/c1ccccc1)/Br,0.5074871778488159
Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.2501388192176819
BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.418889582157135
CS(=O)(=O)O,0.22838827967643738
C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.48907169699668884
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.6453934907913208
CCN(c1ccc(cc1)[N+]#N)CC,0.6535026431083679
CC(NCC(c1ccc2c(c1)cccc2)O)C,0.595954418182373
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.4915292263031006
CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.11970416456460953
C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.4173111915588379
O=Cc1c2ccccc2cc2c1cccc2,0.8002752065658569
Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.7696412801742554
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.23515304923057556
[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.5273569822311401
ClC(c1ccccc1)Cl,0.5721703171730042
COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4949803352355957
Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6097258925437927
COc1nncc2c1nccc2,0.49742454290390015
O=C(c1ccccc1N)OC1CCCCC1,0.30014413595199585
OC(=O)CCP(=O)(O)C,0.25740736722946167
CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.45825275778770447
O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.5719336271286011
OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.30625951290130615
CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.80213463306427
CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.6215815544128418
Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.26568925380706787
ClCC(=C)Br,0.48667898774147034
Cc1c(N)ccc(c1C)N,0.573369026184082
N#N=NCC(C(C(C(CO)O)O)O)O,0.5673133730888367
[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.599082350730896
Nc1ccc(c(c1)[N+](=O)[O-])N,0.6212970018386841
O=S1(=O)CCCC1,0.3028603792190552
O=C(C(Br)C)NC(C)(C)C,0.42028355598449707
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.5158313512802124
Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.5181559920310974
CCCCN(CCCO)N=O,0.49009981751441956
[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9282733798027039
CCCCCl,0.37926697731018066
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.8827608823776245
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.7176645994186401
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9501897692680359
COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.6364983320236206
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,0.10692684352397919
O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.5105652213096619
CCCCCCCCCCCC(=O)NCCO,0.22874465584754944
Nc1ccc2c(c1)c1ccccc1cc2,0.8413099050521851
CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.5459847450256348
OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.633979082107544
Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.7840983271598816
Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.59228515625
CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.3257812261581421
[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.48560279607772827
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9665005803108215
Nc1[nH]cnc2-c1ncn2,0.4258158802986145
CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.20412889122962952
CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.37742072343826294
CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.4467857778072357
[O-][N+](=O)c1cnc(s1)N,0.6252992153167725
Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8048849105834961
Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.5986971855163574
Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.7471555471420288
O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.51703280210495
CC(CNc1snc2c1cccc2)C,0.4129152297973633
NC(=O)CCCCC(=O)N,0.47047051787376404
C1CCCN1,0.3391035199165344
C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.219010591506958
OCc1ccccc1[N+](=O)[O-],0.5461325645446777
[O-][N+](=O)c1cccc(c1O)N,0.5625261664390564
Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7101923823356628
OC(=O)/C=C/C(=O)O,0.4534075856208801
OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.13463810086250305
ONc1ccccc1C,0.5380988121032715
Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.7119349241256714
O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.4930810034275055
ClCCN(C(=O)NCC(=O)N)N=O,0.8043252825737
Clc1ccc(c(c1)C)O,0.4965519905090332
Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.5208374857902527
[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.46516841650009155
COc1ccc(cc1)N,0.5810953974723816
Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.6700888872146606
Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.539964497089386
CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.1613985002040863
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,0.33104023337364197
O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.42079466581344604
c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.8324047327041626
COC(=O)CCCCC(=O)OC,0.2704598307609558
Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.8835065960884094
CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.4467857778072357
O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.46801480650901794
Nc1scc(n1)c1ccccc1,0.6929829716682434
[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9394558072090149
CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.34118399024009705
ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.34911587834358215
NCCCCC(C(=O)O)N,0.3664553165435791
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.5307667851448059
CCOC(=O)OC(=O)OCC,0.49873319268226624
OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.43797531723976135
OCC(C1OC(=O)C(=C1O)O)O,0.5165084600448608
O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.32787084579467773
ClC[C@](CBr)(Br)C,0.47028541564941406
NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.2563895285129547
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,0.5806476473808289
C=CC1CC2CC1C=C2,0.3191896378993988
O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.6105432510375977
CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.5680829882621765
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9307293891906738
Cc1ccc(c(c1)C)C,0.38807743787765503
O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.5522943735122681
Oc1ccc(cc1)[N+](=O)[O-],0.513113260269165
C=CCN1C2C1c1ccccc1-c1c2cccc1,0.4576414227485657
[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.954623818397522
CC(CCOC(=O)C)C,0.18816134333610535
ONc1nc(N)nc2c1nc[nH]2,0.5671312212944031
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.33257877826690674
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.4969955384731293
COC(=O)CCCC(=O)OC,0.34726008772850037
OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.643059492111206
C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.15722160041332245
OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.503868579864502
COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.35178083181381226
C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.5692518353462219
Nc1nc2c(n1C)c(C)cc1c2nccn1,0.6039698719978333
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.2744871973991394
O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.3524915874004364
OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.5656211972236633
CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.21011054515838623
Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7900956869125366
CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.15544109046459198
OC(=O)c1ccc(c(c1)Cl)Cl,0.3761684000492096
C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.40891575813293457
COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.346656858921051
Nc1cc(Cl)cc(c1)Cl,0.45208844542503357
[O-][N+](=Nc1ccccc1)c1ccccc1,0.6369653940200806
CN(Cc1ccccc1)C,0.5618407130241394
Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.4237740933895111
OC(=O)[C@H](O)C.[Na+],0.2878422737121582
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.6593688130378723
[N-]=[N+]=NCc1ccccc1,0.7512869238853455
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.26922211050987244
Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.4819510579109192
NNc1nncc2c1ccnc2,0.8654463887214661
C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.14994660019874573
C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.31741228699684143
O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.22023439407348633
CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.41515618562698364
ClC([C@H]1OC1)(Cl)Cl,0.2890217900276184
Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.5445646047592163
[O-][N+](=O)c1cccc(c1N)O,0.5519177317619324
OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.5079953670501709
c1ccc2c(c1)nc1c(c2)cccc1,0.8622833490371704
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.22231662273406982
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.231664776802063
[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9097896814346313
On1nnc2c1cccc2.O,0.6740131974220276
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.5123120546340942
COC(=O)c1csc(c1S(=O)(=O)N)C,0.4890766143798828
CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.6744017601013184
O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.7444112300872803
O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.6013715863227844
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.2675575911998749
CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.3047432601451874
c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.9366821050643921
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.4523155093193054
O=C/C=C/c1ccccc1Cl,0.5125615000724792
OCC(CO)(CO)CO,0.49957412481307983
O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.3937624394893646
O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.37505990266799927
O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.48067706823349
COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.8347457051277161
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.3961319327354431
CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.3893548846244812
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9186593294143677
CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.13024534285068512
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.4665129780769348
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.5557015538215637
OC(=O)CC(=O)O,0.24396634101867676
CC(OS(=O)(=O)c1ccc(cc1)C)C,0.4654223918914795
N#Cc1ccc2c(c1)nc([nH]2)N,0.6867939829826355
Oc1cccc(c1)O,0.44345736503601074
BrCc1ccc(cc1)[N+](=O)[O-],0.8894132375717163
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3,0.5019496083259583
COC(=O)C(CSCCCl)N,0.5554997324943542
ClC[Si](C=C)(C)C,0.4654737412929535
Cc1ccccc1c1ccccc1,0.5540163516998291
OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.5524605512619019
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.5108969807624817
Cc1cc2-c3ccccc3Cc2cc1C,0.5069349408149719
c1ccc(cc1)CN1CCN=N1,0.9307022094726562
OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.344596803188324
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.5462421178817749
ClCC1=CC(=O)OC1,0.5919561386108398
O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.3527851700782776
[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.4943809509277344
CSCNc1ccccc1C(=O)C,0.48626279830932617
O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.5256285667419434
N#C/C=C/C#N,0.4066053032875061
[O-][N+](=O)[CH-]CCC,0.4081275463104248
NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.48925304412841797
CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9250550270080566
OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.6769618391990662
SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.31140369176864624
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4807772636413574
CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.542970597743988
Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.8594393730163574
ClCCN[P@]1(=O)OCCCN1CCCl,0.8645084500312805
O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.3254975378513336
O=C/C=C\c1ccco1,0.6427648663520813
CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.8294901847839355
CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.6750170588493347
Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.5886014699935913
COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.394808828830719
OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.5024232268333435
O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.5791679620742798
CNC(=O)C1=NN=C([CH]1)Br,0.3982000946998596
Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.44814378023147583
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.6281636357307434
COc1ccccc1CC1CO1,0.50508052110672
C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.7014110088348389
OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.3796868622303009
Clc1ccc(cc1N)C(F)(F)F,0.4959561228752136
SCc1ccccc1,0.3161524534225464
OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.35431116819381714
CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.2841527462005615
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.276540607213974
Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6489174365997314
CC(C(=O)NCc1ccccc1)Cl,0.4662811756134033
CC(C(CCl)Br)Br,0.4625319838523865
COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.43563979864120483
[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.8566056489944458
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.3959880471229553
O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.633161187171936
CCOC(=O)OCC,0.27646687626838684
CCBr,0.36828237771987915
c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.748846709728241
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,0.5273963809013367
Nc1ccc(cc1)S(=O)(=O)N,0.47756901383399963
COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.4011717736721039
O=C(c1cccc2c1nccc2)OCc1ccccc1,0.3595474362373352
OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.6013715863227844
CCNC(=O)CCC(C(=O)O)N,0.3656151592731476
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.4263540804386139
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,0.29558390378952026
O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.3010609745979309
C=Cc1ccc(cc1)[N+](=O)[O-],0.5686431527137756
CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.3207179009914398
CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.5557119846343994
Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.5381059646606445
OCc1ccc(cc1)Cl,0.47322678565979004
OCCC(C)C,0.22644634544849396
CNC(=O)NO,0.3512761890888214
c1cnc2c(c1)ccc1c2cccn1,0.6489418148994446
COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.5951633453369141
O=C1c2ccccc2-c2c1cccc2,0.6853266954421997
OC(=O)Cc1ccccc1Cl,0.219490647315979
OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.4602656364440918
O=CC=C(C)C,0.4920108914375305
O=Nc1ccc(cc1)c1ccccc1,0.8104375004768372
CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.10657808929681778
C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.30554330348968506
CC(=O)O,0.19802424311637878
OCCN(C(=O)N)N=O,0.5814504623413086
Fc1ccc2c(c1)sc(n2)O,0.49919766187667847
Nc1ccccc1c1ccccc1.Cl,0.6093964576721191
CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.4496828615665436
OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.23900048434734344
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.5328732132911682
CC/C=C/C=C/C=C/C=C/C=C/OC,0.3608705997467041
CC(=O)Nc1ccc2c(c1)nccc2,0.5301716923713684
O[C@@H]([C@H]1CO1)CO,0.49446648359298706
Nc1cc2nc3ccccc3nc2cc1O,0.688750147819519
CC(Nc1ccccc1)C,0.3139682114124298
OCC(C)C,0.2539283037185669
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.37881582975387573
Nc1nc(N)c2c(n1)[nH]cn2,0.5486268401145935
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,0.5054488778114319
O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.2712043821811676
CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6083759665489197
ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8674432039260864
CCCCCOC(=O)C=C,0.2538467347621918
Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.682799756526947
CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.5025572180747986
OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6614452004432678
O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.35880595445632935
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.6452217102050781
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,0.48451170325279236
CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.447836697101593
n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.897253155708313
OCC(Cl)Cl,0.5197919011116028
Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.7192349433898926
ClC(C(=O)C)Cl,0.4854632019996643
ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9269529581069946
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.4884042739868164
Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.25872012972831726
COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7749584317207336
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.737561047077179
Oc1ccc(c(c1Cl)Cl)Cl,0.44414252042770386
CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.2674711346626282
c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.6262796521186829
Clc1cccc2c1oc1c2cccc1,0.5129518508911133
CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.13678237795829773
FC(C(C(Cl)(F)F)(F)F)Cl,0.5575557947158813
COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.45774760842323303
CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.48498430848121643
CCCN(CCCC(=O)O)N=O,0.24562466144561768
OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.5095495581626892
[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.8702797889709473
CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.6986149549484253
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5551503300666809
COC(CC(=O)C)(C)C,0.26287394762039185
[O-][N+](=O)c1ccc(c(c1)C)C,0.6160410046577454
Clc1cccc(c1)[N+](=O)[O-],0.6166422367095947
OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.6279500722885132
OO[C@@H]1CCCc2c1cccc2,0.549402117729187
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.2960478663444519
[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.597611129283905
OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.32511216402053833
OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.4429539740085602
N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.8963977694511414
CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.454583078622818
CCS,0.1968422532081604
Sc1nc2c(s1)cccc2,0.42523083090782166
COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.3755509555339813
Cn1c(N)nc2c1cc1ccccc1c2,0.6426068544387817
OCCc1ccccc1,0.45351266860961914
NC(C(=O)OC(C)(C)C)CN=N#N,0.5344349145889282
c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.9047710299491882
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.17626594007015228
CON(C(=O)Nc1ccc(cc1)Br)C,0.5743610858917236
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.34431061148643494
Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.28856340050697327
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,0.3032282888889313
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.5425368547439575
Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6886485815048218
OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.22530552744865417
Cc1cccc2c1-c1ccccc1[C@@H]2C,0.5773298144340515
CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.18733981251716614
BrCc1cccc(c1)CBr,0.6744624376296997
CCOC(=O)N(N=O)CC,0.40821248292922974
O=NN(C(=O)N)C,0.5150733590126038
[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.6225646734237671
CCCOC(=O)c1cc(O)c(c(c1)O)O,0.38928666710853577
OCCS,0.36251217126846313
CCCC(C(=O)O)CCC,0.10921227931976318
C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.468290239572525
CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.7535228729248047
CCCNc1snc2c1cccc2,0.5950689911842346
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,0.4119887351989746
CC(=C)C1CO1,0.3988373279571533
ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.4251464903354645
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,0.4452497363090515
C/C=C\C=C/C=O,0.4651881158351898
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,0.53363037109375
NC(=O)Nc1ccc(cc1)Br,0.4793663024902344
CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.5037733912467957
OC(=O)c1ccc(cc1)C(=O)O,0.4576226770877838
CCCCCCCCCCCCCC=C,0.12066932022571564
CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.3943622410297394
Cc1ccc2c(c1)ccc1c2cccc1,0.6711173057556152
NN(c1ccccc1)c1ccccc1,0.6665534973144531
O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.444913387298584
CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.594763457775116
C/C=C/C1OC(=O)C=CC1O,0.4108735918998718
ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.6575549840927124
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.28934505581855774
COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.5970104336738586
C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.30952346324920654
O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.3592069447040558
Oc1cc2ccccc2c2c1cccc2,0.639281153678894
Cc1ccc(cc1)C,0.468558132648468
C1CCC=CC1,0.4819377064704895
Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5659710168838501
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9394679069519043
CN(N=Nc1ccc(cc1)Cl)C,0.6821967959403992
CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.2895510494709015
CC(=O)Nc1cccc(c1C(=O)O)N,0.4458311200141907
O=Nc1n(C)cnc1c1ccccc1,0.6235095858573914
O=C([C@@H]1OC1)NCc1ccccc1,0.5559611320495605
OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6249358654022217
COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.5117114782333374
N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.36043861508369446
COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.39505141973495483
Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.5890148282051086
Nc1nc2-c3cccnc3CCc2s1,0.7596114873886108
[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.5880764126777649
Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.43734011054039
N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.6055373549461365
CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.38728708028793335
ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.6824706792831421
CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.3283877670764923
COC(C)(C)C,0.31660670042037964
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.702582597732544
OCC#CCO,0.3809537887573242
COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.5044159889221191
Nc1cnc2c(c1)cccc2,0.6472306251525879
O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.710433840751648
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.1974262297153473
ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.48003101348876953
C[n+]1ccc(cc1)c1ccccc1,0.39294758439064026
CC(c1ccccc1)C,0.30704206228256226
C/C=N/N(C=O)C,0.6241487264633179
Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.5789079666137695
COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.4920242726802826
OC(c1ccccc1)CN=N#N,0.6166075468063354
COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.599760890007019
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.5381468534469604
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.4011216163635254
CC(N)(C)C,0.3778632879257202
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.7326250076293945
OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.2046254426240921
OCC(CBr)(CBr)CO,0.5188041925430298
COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.6240662336349487
Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.6081741452217102
Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.5661135911941528
COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.5073162317276001
CC(=O)OCN([N+](=O)[O-])C,0.490346759557724
CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.6326721906661987
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9568392038345337
CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.2766279876232147
FC(C(F)(F)F)(Cl)F,0.3161189556121826
ClC(c1ccccc1)(Cl)Cl,0.27482151985168457
CC1=Nc2c(C1(C)C)cccc2,0.47550249099731445
Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.8763063549995422
CCCCCCCCCCCC(=O)O,0.05833610147237778
Oc1cc2ccccc2c(c1)O,0.5053839683532715
OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.3773965835571289
CCCCCN,0.2408592700958252
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.5785745978355408
ClCC(=O)c1ccc(cc1)NC(=O)C,0.4817495346069336
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.8919695615768433
N#CC(N=NC(C#N)(C)C)(C)C,0.5596995949745178
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.5397126078605652
O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.6054623126983643
[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.9317926168441772
ClCCOC/C(=C\Cl)/Cl,0.6789094805717468
O=C1C=CC(=O)c2c1c(O)ccc2,0.4867390990257263
CCCCC/C(=C\c1ccccc1)/C=O,0.31088846921920776
O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.40538984537124634
OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.5512475967407227
CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.36903080344200134
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.16634100675582886
O=c1c2ccccc2[nH]c2c1cccc2,0.7161861658096313
OCCN(CC(=O)O)N=O,0.35467150807380676
Nc1ccc(cc1)Sc1ccc(cc1)N,0.611785352230072
CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.3600758910179138
Oc1ccc2c(c1)nccc2,0.5057617425918579
CCOC(=O)[C@@H](O)C,0.3420349061489105
Cc1c[nH]cn1,0.45617032051086426
c1ccc(cc1)Nc1ccccc1,0.618150532245636
C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.468290239572525
CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9525375366210938
CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.44107359647750854
Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.6569933891296387
OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.6384145021438599
O=C1CC[C@H](N1C)c1cccnc1,0.18420399725437164
N#CC(=Cc1ccccc1Cl)C#N,0.46213966608047485
COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.2926315367221832
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.15482117235660553
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.5258764028549194
CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.39861443638801575
Clc1cc(Cl)c(c(c1)Cl)O,0.5052334666252136
CC(Cl)(Cl)C,0.07056578248739243
CCc1ccccc1O,0.3421206474304199
O=NN(c1ccncc1)C,0.4183278977870941
Clc1[nH]c(=O)c(cc1Cl)Cl,0.4031968116760254
CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.7052808403968811
ON1C(C)(C)CCCC1(C)C,0.2380523681640625
Cc1cccc2-c3c([C@H](c12)C)cccc3,0.5055386424064636
CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.4564144015312195
O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.3120534121990204
O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.4021760821342468
OCC(C(C(C1SCCN1N=O)O)O)O,0.5506974458694458
C[N+]1(C)CCOCC1,0.3204585611820221
O=NN(Cc1cccc(c1)OC)C,0.8757278323173523
OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.27735763788223267
Cc1cccs1,0.45827847719192505
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.33232688903808594
Cc1cc(=O)[nH]c(=S)[nH]1,0.2946767807006836
Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.6841025352478027
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9035223126411438
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.6720540523529053
NCCO,0.559417724609375
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.5911770462989807
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.5582544207572937
ClCc1c2ccccc2c(c2c1cccc2)CCl,0.8576997518539429
CCOc1ccc(cc1)NC(=O)N,0.5356501340866089
OCCN(CC)CC,0.32555803656578064
O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.7830602526664734
CN(NC(=O)CCC(=O)O)C,0.24202577769756317
O=C1C=CC(=O)C(=C1)C,0.513893187046051
c1ccc(cc1)c1ccccc1,0.5979033708572388
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.24690847098827362
CC1(C)C2CCC3(C1C2)CO3,0.31906992197036743
O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.6227775812149048
O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.6341210603713989
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,0.5446141362190247
CC=C,0.251136839389801
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.4636264741420746
O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4386843144893646
O=Cc1cccc(c1Cl)Cl,0.3848508894443512
Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.6604427099227905
CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.3321031630039215
OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.6197435855865479
ClCC(C(=C)Cl)Cl,0.4415338635444641
O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.8368505239486694
O=NN1CCC(=O)NC1=O,0.5480185747146606
COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.40893206000328064
OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.3479534983634949
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9242059588432312
OCCNc1ccc(cc1[N+](=O)[O-])N,0.6931014657020569
CC(S(=O)(=O)Cl)C,0.4319225251674652
NCCc1c[nH]c2c1cccc2.Cl,0.6404213905334473
CCCCON(C(=O)c1ccccc1)OC(=O)C,0.38720542192459106
Cc1cccc2c1ccc1c2cccc1,0.7220616936683655
O=c1oc2c([nH]1)cccc2,0.4460063576698303
Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.595293402671814
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,0.48072218894958496
CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.6200535893440247
OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.35992541909217834
N/N=c/1\sc2c(n1C)cccc2.Cl,0.5525674223899841
[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.541631817817688
OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.6619701385498047
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,0.4070533812046051
[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.5036255121231079
Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8257828950881958
c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.5872563123703003
C[C@H]1CC(=O)O1,0.11034844815731049
O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.46764087677001953
CCOc1ccc(cc1)N(C(=O)C)O,0.5334568023681641
CC1c2ccccc2-c2c1cc(C)c(c2)C,0.5517569184303284
O/N=C(/c1ccccc1)\N,0.5299938917160034
Clc1ccc(cc1)[N+](=O)[O-],0.5469156503677368
CCOP(=O)(N(C)C)C#N,0.6091024279594421
CCCSC(=O)Cl,0.3232792615890503
CC(C(=O)O)N,0.2634963095188141
CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.1277281790971756
Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.6618786454200745
ClC1OC1CBr,0.6553274989128113
CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.5633180737495422
O=S1(=O)CCCCO1,0.3068750500679016
Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.5410193204879761
[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6116443276405334
ONc1cnc2c(c1C)nc1n2cccc1C,0.5668456554412842
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.4147716462612152
Clc1cccc(n1)C(Cl)(Cl)Cl,0.13103993237018585
CNC(=O)O/N=C/C(SC)(C)C,0.4952773153781891
CC(C(CBr)Br)Cl,0.47510695457458496
Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.4914247393608093
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.5162863731384277
Cc1cc2ccccc2c2c1cc1ccccc1c2,0.6681875586509705
C=CC(=O)OCCOCCOC(=O)C=C,0.4407200813293457
[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.931900680065155
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.25411540269851685
Oc1ccnc2c1cccc2,0.45481300354003906
O=CC1=CC[C@H](CC1)C(=C)C,0.422555148601532
c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.7026801109313965
Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.4906872808933258
CC(=O)Nc1ccc(c(c1)N)C,0.45895853638648987
CC(=O)CCl,0.5421393513679504
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,0.40977707505226135
O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.4736965596675873
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.1601032316684723
CNC(=O)Nc1ccc(cc1)Br,0.45574483275413513
O=NN1CCCCC1,0.7096134424209595
CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.5768165588378906
ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.23847392201423645
Nc1cccc2c1c1ccccc1cc2,0.7835630178451538
Nc1ccc(c(c1)S(=O)(=O)O)N,0.5030804872512817
O=C(c1ccccc1)Nc1snc2c1cccc2,0.5156119465827942
ClCCC(CBr)Br,0.45368632674217224
CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.6423314809799194
CCOc1nc(N)nc(n1)N,0.3629179000854492
CC([C@](C(=O)O)([C@H](O)C)O)C,0.30325382947921753
[O-][N+](=O)CCO,0.4411439299583435
CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.3221682906150818
CC1=CC[C@H](CC1)C(=C)C,0.35618454217910767
O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.7184189558029175
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.4801120162010193
NCCCNCCCCN(N(N=O)O)CCCN,0.7625686526298523
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.4157887399196625
COc1nsc2c1ccc(c2)OCC1CO1,0.5951582193374634
CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.6064602136611938
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.5593617558479309
CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.661728024482727
ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.4776694178581238
COc1nncc2c1cccc2,0.6427271366119385
O=NN(Cc1ccc(cc1)Br)C,0.7183992266654968
O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.4960640072822571
CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.35621827840805054
O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.3829285502433777
[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.63027423620224
O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.6120498180389404
CCOCOCC,0.4179440438747406
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.2678709030151367
[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.8404994010925293
Cc1c2ccccc2cc2c1cccc2,0.8297527432441711
O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.5836222171783447
[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.7464312314987183
Fc1cccc(n1)F,0.37051552534103394
O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.5251043438911438
OC1=C(O)C(=O)C1=O,0.4917725920677185
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.5801588296890259
O=C1NOCC1(C)C,0.45586714148521423
O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.44589585065841675
O[C@H]1C=CC=C[C@@H]1O,0.5133101344108582
O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6047083139419556
[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9323837161064148
O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.48150086402893066
ICC[C@@H]1OC[C@H](O1)CO,0.5552939176559448
CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.563376247882843
CCCCC/C=C\C=C/C=O,0.33986130356788635
Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.4485653340816498
OOC(C)(C)C,0.2642648220062256
O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.5098236799240112
OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.5173429250717163
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.4963531494140625
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.5690184831619263
OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.29247933626174927
CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.18084928393363953
C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.502558708190918
O=C/C=C(\CCC=C(C)C)/C,0.43723732233047485
CNc1ccc2c(c1N)nc(cn2)C,0.6482546925544739
O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.5063968896865845
COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.657549262046814
Fc1cc2cccnc2c2c1cccn2,0.5929462313652039
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.5551156997680664
OOC(c1ccccc1)(C)C,0.5236966013908386
O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7354998588562012
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9519580602645874
OCCCN=N,0.5216532945632935
O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.7065598964691162
Nc1ccc2c(c1)ccc1c2cccc1,0.8118990063667297
N#Cc1ccc(cc1)C(=O)O,0.4204689562320709
CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.12199048697948456
C[C@H](COC[C@H](O)C)O,0.23865708708763123
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.43721526861190796
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.8278282284736633
CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.132135808467865
Cc1cccc2c1ccc1c2ccc2c1cccc2,0.7847495675086975
CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.6370677351951599
[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8945857286453247
Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5444294810295105
CC(=O)/C=C/c1ccco1,0.4892924726009369
[O-][N+](=O)CCC,0.3219587504863739
ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.80059814453125
Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.6210027933120728
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.4049123227596283
[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.7019049525260925
O=CNc1ccccc1,0.4773923456668854
CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.1956426352262497
OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.4903840124607086
CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6031274795532227
OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.45556044578552246
N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.41298770904541016
ONc1ncnc2c1ncn2C,0.558519721031189
CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.2963975965976715
O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.5136182904243469
CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.6825040578842163
BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.3838943541049957
Nc1cccc(c1)O,0.35916396975517273
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,0.5672636032104492
CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.5772883892059326
CCN(c1cccc(c1)O)CC,0.4857950806617737
ClCc1cccnc1,0.5922189354896545
CCc1nc2c(nc1CC)ccc(c2C)NC,0.5252140760421753
ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.5535956621170044
ClCC(=O)CCl,0.686854362487793
CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.5559693574905396
Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.3083970546722412
ClC(=C)C=O,0.4514787197113037
C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5256559252738953
OC(=O)[C@H](Br)Cl,0.44588702917099
CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.12081720679998398
CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.4710555672645569
O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.5273164510726929
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9373608827590942
Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.6210044026374817
COC(=O)C(=C)C,0.28091949224472046
OCc1ccc(cc1N)[N+](=O)[O-],0.5744087100028992
Nc1ccc(c(c1)N)N=Nc1ccccc1,0.6280379295349121
CC/C=C/1\OC(=O)c2c1cccc2,0.44731205701828003
Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.6136333346366882
Clc1nncc2c1ccnc2,0.2219190150499344
[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9493465423583984
Cn1c2ccccc2c2c1cccc2,0.7872093319892883
COCN(c1c(CC)cccc1CC)C(=O)CO,0.4244769215583801
O=NC([N+](=O)[O-])(C)C,0.6370074152946472
C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.6574121713638306
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.4930501878261566
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.3067031800746918
CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.8143383264541626
Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8601101636886597
C1CCC(CC1)NC1CCCCC1,0.39252954721450806
CCCON(C(=O)c1ccccc1)OC(=O)C,0.3185421824455261
CC1(CO1)C(=O)N,0.41677603125572205
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.35071200132369995
CNC(=S)N(C)C,0.41550928354263306
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6334189176559448
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.35021865367889404
ON=C1CCCCC1,0.4715978503227234
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,0.42048922181129456
CC(N)C,0.22150161862373352
Cc1ccccc1Cl,0.38380154967308044
ClC(C1=C(Cl)C(=O)OC1O)Br,0.4904833436012268
OC1CC=Cc2c1nccc2,0.43486881256103516
N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.4486207365989685
Clc1cccc(c1NC1=NCCN1)Cl,0.46903786063194275
Clc1nncc2c1cncc2,0.35094353556632996
OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.3313140273094177
CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.6679380536079407
Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.6281359195709229
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.5082165002822876
[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.7007139325141907
OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.7065598964691162
ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.860899806022644
CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.3732582926750183
Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.5160031914710999
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.3700841963291168
OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.7799463868141174
O1C2C1c1cscc1-c1c2csc1,0.5861480236053467
[O-][N+](=O)c1cccc(c1Cl)Cl,0.4755006730556488
CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.560832142829895
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.485072523355484
[O-][N+](=O)NC(=N)NC,0.43137770891189575
OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.3556573987007141
CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.37016934156417847
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6540560126304626
CCCc1ccc2c(c1)OCO2,0.5310260653495789
CCCC(=O)C,0.1658533215522766
O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.3138672411441803
CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.19357115030288696
N#N=NC(c1ccccc1)c1ccccc1,0.8269251585006714
O=C(Nc1ccccc1)Nc1ccccc1,0.4948960244655609
COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.5864068865776062
CCCCOCCOCCOCCCC,0.3436189591884613
OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.5173331499099731
ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.7815793752670288
c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.7736116647720337
C[C@@H](ON=O)CC,0.3898366689682007
OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.6502938866615295
OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.6787724494934082
Cc1ccc(cc1)[N+]#N,0.6343890428543091
Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.5935109853744507
ClCc1c2ccccc2cc2c1cccc2,0.8258541226387024
CCOC[C@H]1CO1,0.5415545701980591
C[C@H]([C@@H](CCl)Br)Br,0.4516105055809021
CC(COS(=O)(=O)c1ccc(cc1)C)C,0.30203986167907715
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.7715919017791748
O=NN(Cc1ccc(cc1)Cl)C,0.7414344549179077
c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.8015609979629517
C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.3212662637233734
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.4877714216709137
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.3219723701477051
C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.43683552742004395
COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.35211116075515747
O=Nc1ccc(cc1)Nc1ccccc1,0.8248034715652466
[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.955018162727356
O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.6619701385498047
c1ccc2c(-c3ccccc3C3C2N3)c1,0.7030373811721802
C1CN2CCN1CC2,0.6756741404533386
CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.3722267746925354
NC(=O)NNC(=O)N,0.6529563069343567
CCOCC,0.22258630394935608
CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.4235936999320984
OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.23468181490898132
Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.7359634041786194
[O-][N+](=O)c1cccc2c1snc2Cl,0.5850324034690857
[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.6546481847763062
Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.3394128084182739
CC(c1cc(ccc1N)c1ccccc1)C,0.5415067672729492
O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5267661809921265
[O-][n+]1ncc2c(c1)nccc2,0.6758519411087036
O=NN(Cc1ccccc1)C,0.8961156606674194
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.5775961875915527
[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.6303426027297974
COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.5103979110717773
CCCCC/C=C/C=C/C=O,0.33986130356788635
N#CC(C(C#N)(C)C)(C)C,0.3169264793395996
c1ccc2c(c1)[nH]nn2,0.797317385673523
Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9036151766777039
CCN=C=S,0.30030128359794617
Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7285810708999634
N[C@@H]1C[C@H]1c1ccccc1,0.5700094699859619
Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.786434531211853
O=C([C@]1(C)OC1)Nc1ccccc1,0.5117396116256714
n1ccncc1,0.33884185552597046
COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.5551557540893555
O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9526462554931641
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.5031020045280457
O=NN1CCCN(CC1)N=O,0.7091544270515442
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,0.42904582619667053
CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.46541666984558105
ClC=C(C)C,0.4844726622104645
CC(OOC(C)(C)C)(C)C,0.35181331634521484
Cc1nnc(c(=O)n1N)c1ccccc1,0.57502281665802
N#[N+]c1ccc(cc1)[N+](=O)[O-],0.8964816331863403
OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.35408496856689453
Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.4233896732330322
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.5398598909378052
Nc1ccccc1.Cl,0.5102224946022034
COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.5869620442390442
CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.5739194750785828
O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.2719604969024658
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.31333446502685547
Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5300248265266418
[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8673003911972046
CC(c1ccccc1)N(C)C,0.4610688090324402
ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6750565767288208
Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.4090479910373688
OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.5813175439834595
NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.5201568603515625
N#CCc1cn(c2c1cccc2)N=O,0.6622626185417175
[O-][N+](=O)c1cccc2c1cccc2C,0.8465104103088379
C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.32837599515914917
N#Cc1cccc(c1)C,0.36292070150375366
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,0.4646587371826172
OCCN1CC1,0.5285786390304565
OC1OC(=O)C=C1CCl,0.4914819598197937
Oc1ccc(cc1)c1ccc(cc1)O,0.5503517985343933
OC1C2OC2c2c(C1O)ccc1c2cccc1,0.7763140797615051
CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.2322813719511032
O=C1CCCO1,0.1804298311471939
ClCC1=C(Cl)C(=O)OC1,0.497412770986557
O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.5498291254043579
Clc1ccccc1C(F)(F)F,0.45180073380470276
Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.49797773361206055
C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.10881076008081436
CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.5342021584510803
OC(=O)Cc1ccccc1[N+](=O)[O-],0.14962328970432281
CCCCCCCCCCCCCl,0.2021752893924713
c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.7470216155052185
CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6401023268699646
N#Cc1cc(c2ccncc2)c(nc1O)C,0.24460577964782715
Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6025665998458862
C=CC=O,0.5320578217506409
[O-][N+](=O)c1ccc(o1)C(=O)OC,0.5835064053535461
CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.48850664496421814
O=c1[nH][nH]c(=O)c2c1cccc2,0.4385532736778259
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.3768100142478943
CC/C=C/C,0.2357197105884552
COc1ccc(cc1)[N+](=O)[O-],0.6073004603385925
N#CCc1ccccc1,0.35276931524276733
Clc1ccnc2c1cccc2,0.44829124212265015
O=CCC(CCC=C(C)C)C,0.34512707591056824
CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.4655095934867859
COc1cc(CNC(=O)C(Br)C)ccc1O,0.435962438583374
COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.40616145730018616
CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.22788891196250916
ClCCOC(=O)C=C,0.512772262096405
OC(=O)C(Br)(Br)Br,0.425250381231308
O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.3484131991863251
OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.5046919584274292
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5180476903915405
Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.4110352098941803
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9072490930557251
Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.22413472831249237
CSc1ccc(cc1)Cl,0.3827807307243347
NCCc1c[nH]c2c1cccc2,0.6404213905334473
BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.5194529294967651
CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.46892935037612915
CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.5728060007095337
C=CCOC(=O)C=C,0.27856335043907166
Cc1ccc2c(c1)cccn2,0.46612197160720825
Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.8434094190597534
COc1cc(OC)c2c(c1)OC1C2C=CO1,0.4991545081138611
OCCOCC,0.29984933137893677
CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5620146989822388
C=CC(=C)CCC=C(C)C,0.31852132081985474
O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.48758476972579956
OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.22822758555412292
CCCSP(=O)(SCCC)OCC,0.3694719672203064
OC(=O)C[C@@H](C(=O)O)C,0.18940512835979462
N#N=NCC1OC(O)C(C(C1O)O)O,0.5134803652763367
Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.5194280743598938
CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.5615423321723938
FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.5106407403945923
CN(N=Nc1ccc(cc1)Br)C,0.6933262348175049
ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.7197256684303284
NCCC(N)C,0.22012615203857422
O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.31468626856803894
CCN=NC(OO)(C)C,0.49284830689430237
CNC[C@@H](c1cccc(c1)O)O.Cl,0.4865238070487976
NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.27094796299934387
Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.4436225891113281
Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.5994747877120972
CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.6677747964859009
FC(C(F)(F)F)F,0.5315433144569397
c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.7042042016983032
ClCCN([P@](=O)(O)N)CCCl,0.6020722389221191
[O-][N+](=O)[CH-]C,0.4188265800476074
Brc1ccc(cc1)c1ccccc1,0.5123066902160645
Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.6087990999221802
C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.52913898229599
Cc1cc2cc3ccccc3cc2c2c1cccc2,0.6916325688362122
C[C@@H](c1ccccc1)CCc1ccccc1,0.24559620022773743
CCCCCN(CCCCO)N=O,0.500167727470398
[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9238964319229126
OCc1c(CO)cnc(c1O)C.Cl,0.44424086809158325
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8375992774963379
OC(C1CO1)CO,0.47835010290145874
Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.4255242347717285
CC(=C)C(Cl)C,0.4141312539577484
[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.6358453631401062
Cc1ccc(o1)C=O,0.4814123213291168
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.6963141560554504
C=CC(=O)OC[C@H]1CO1,0.4853181838989258
CCN(C(=O)c1cccc(c1)C)CC,0.4574972689151764
Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7518130540847778
COC(CCOC(=O)C)C,0.29485610127449036
OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.43496188521385193
O=C1CCCCC1,0.3950097858905792
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,0.39104151725769043
Cc1cnc2c(c1)cccc2,0.5215229392051697
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.413381427526474
CCOc1ccccc1N,0.5808127522468567
Cc1ccc2c(c1)c(N)sn2,0.6529229879379272
CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.12661023437976837
COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.5016192197799683
OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.6291824579238892
COP1(=S)OCc2c(O1)cccc2,0.3511817753314972
c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.7989591956138611
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.6291991472244263
O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.7248445153236389
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,0.08407343924045563
CCCCCCCCCCCCCCCCCCO,0.14122731983661652
CCN(/C(=N/O)/C=O)N=O,0.5576767921447754
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.6234157681465149
O=CN(C(=O)N(C)C)C,0.4960787892341614
COS(=O)(=O)C,0.38675302267074585
COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.5087003707885742
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.5072228312492371
OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.5233668088912964
O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.4205813407897949
CN1CCC[C@@H]1c1cccnc1,0.12901607155799866
OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.6075353622436523
CCNc1nc(NC(C)C)nc(n1)O,0.2594556212425232
Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6470133662223816
Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.3650378882884979
Clc1ccc(cn1)Cl,0.18200942873954773
CCNc1nc(NCC)nc(n1)Cl,0.2952881157398224
CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.40195274353027344
OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.4419496953487396
ClCc1ccc(cc1)C#N,0.8105232119560242
CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.34084808826446533
OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.3357686996459961
COc1cc(N)ccc1C,0.6065924763679504
CN(c1ccccc1)C,0.6024600267410278
COC=O,0.5454882383346558
CC(OC(=O)C)C,0.13038530945777893
O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.5943334698677063
[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.7922934293746948
COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.5187069177627563
COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.43364039063453674
CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.378950297832489
OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.6484366655349731
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.5109074711799622
Cc1ccc(cc1)CC1OC1,0.4809054434299469
ClCC(=O)NCc1ccccc1,0.5698012113571167
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.49853459000587463
O=NN1CCNCC1,0.8607632517814636
CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.3116469085216522
CCOC(=O)N(C)C,0.4380159378051758
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.4159560203552246
COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.44792574644088745
CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.33211591839790344
CC(O)C,0.26224255561828613
BrCC(C)(C)C,0.43049851059913635
N#Cc1ccc(cc1)C,0.5739426016807556
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.7341927289962769
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.3491515517234802
c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.6383014917373657
CCCCCCOC(=O)c1ccccc1,0.24228596687316895
S=C1SSC2=NCCN12,0.5029557943344116
CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.41950830817222595
O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.4171106815338135
OS(=O)(=O)O.COc1ccc(cc1N)N,0.6030832529067993
CC(Nc1ccc(cc1)Nc1ccccc1)C,0.5129169225692749
O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.605954647064209
O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.8037543296813965
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.3598896563053131
O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.5157414674758911
Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6063138246536255
O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.36453497409820557
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.16388607025146484
COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.3966047763824463
ClCCSCCCl,0.5142793655395508
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.27582743763923645
Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.6959595084190369
FC(Oc1ccc(cc1)N)(F)F,0.5342034101486206
OC1C(O)c2cccc3c2c2c1cccc2cc3,0.6158183217048645
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9621280431747437
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8345540165901184
CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.2687215805053711
c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.6733260154724121
CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.5417059063911438
CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.450667142868042
Oc1ccc2c(c1N)cccc2,0.6559789776802063
Fc1ccc(c2c1ccc1c2cccn1)F,0.5574313998222351
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,0.3967035412788391
C[C@H](CNC[C@H](O)C)O,0.3495827317237854
OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.4834322929382324
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,0.24745512008666992
Clc1ccc2c(c1)c1ccccc1o2,0.569848358631134
CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.3760696351528168
c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.612563967704773
CSc1nnc(c(=O)n1N)C(C)(C)C,0.43767040967941284
COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.3194747567176819
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,0.49530595541000366
FC(C(Cl)(Cl)F)(Cl)Cl,0.3839191198348999
c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.6687417030334473
O=C1NC(=O)C(=C1Cl)Cl,0.3211347162723541
CCN,0.4123395085334778
BrCC1=C(Br)C(=O)OC1O,0.48963260650634766
ClCCCN(COC(=O)C)N=O,0.7054601907730103
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,0.4266507029533386
C1CCOCO1,0.24445776641368866
C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.7535094618797302
Sc1ncnc2c1[nH]cn2,0.35919269919395447
OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.48982134461402893
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.48327571153640747
O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.5401516556739807
S(Cc1ccccc1)SCc1ccccc1,0.7637306451797485
Oc1cccc2c1cccn2,0.4532700479030609
ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.3952093720436096
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.5299089550971985
O=C/C=C(/CCC=C(C)C)\C,0.43723732233047485
Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.6670411229133606
CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.6258927583694458
Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.5049346685409546
CCCCCC(/C=C/C=O)O,0.5275643467903137
C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.40236949920654297
C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.3018389642238617
O=NN(CC(=O)C)CC(=O)C,0.580077052116394
NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.425435870885849
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.37132880091667175
COc1ccc(cc1)CC[C@@H]1OC1,0.48283568024635315
CC1CCCO1,0.26340726017951965
CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.5844606757164001
Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8037115931510925
[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.7975864410400391
Nc1nc(nc(n1)Cl)NC(C)(C)C,0.3390454351902008
CC[C@H](OS(=O)(=O)C)C,0.29278916120529175
CN(CCOC(c1ccccc1)c1ccccc1)C,0.32404041290283203
CCn1c2ccc(cc2c2c1cccc2)N,0.6549338698387146
O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.7724007368087769
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.5504769086837769
Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.7374905347824097
ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.41920867562294006
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.3737082779407501
ClCCNCCCl,0.7199258804321289
CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.28033447265625
ONc1cc(C)ccc1C,0.5401644706726074
CC(CNCC(C)C)C,0.13017866015434265
COc1c2ccc(cc2nc2c1cco2)O,0.4797666072845459
CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.3818168640136719
OC(=O)CCCOc1ccc(cc1Cl)Cl,0.0880642980337143
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.3970048129558563
C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.2476305514574051
O=CC(=C(C)C)Cl,0.3824416399002075
c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8493170738220215
COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5666991472244263
NN(Cc1ccccc1)Cc1ccccc1,0.7159892320632935
COc1cc(OC)[nH]c(=O)n1,0.42139309644699097
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.28640398383140564
O=C/C=C/C=O,0.5338085889816284
CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.13749811053276062
CCCC[N+](=O)[O-],0.3636501431465149
CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.27285605669021606
c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.3608415424823761
N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.2419944554567337
[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.4460967183113098
ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.6012470722198486
O=C([C@]1(C)OC1)NCc1ccccc1,0.48574668169021606
CCOC(=O)CNC(=O)C=[N+]=[N-],0.39799243211746216
CCCCN(CC)CC,0.41653886437416077
O=C1CCCCCO1,0.223535418510437
CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.19546687602996826
c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.7263506650924683
[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.7016059160232544
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.40179362893104553
N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.5190476775169373
COc1ccccc1C[C@H]1CO1,0.5396990180015564
Nc1ccc(cc1)O,0.5509950518608093
OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.6061621904373169
Clc1ccc(cc1)Cl,0.2754839360713959
O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.5577146410942078
CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.2839401066303253
O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6029945611953735
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.5391648411750793
Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.5047776103019714
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,0.2990773916244507
Fc1cc2cccnc2c(c1)F,0.5560944080352783
c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.8501043319702148
Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.5576342344284058
c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.6104961037635803
ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.37256234884262085
Cc1ccc2c(n1)cccc2,0.48152559995651245
CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.43175792694091797
CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5663905143737793
OC1=C(C)CCC1=O,0.4722525179386139
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.2971111536026001
Nc1cccc(c1)C(F)(F)F,0.46542447805404663
Clc1ccc(c(c1)N)O,0.5620360970497131
OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.3073943853378296
[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7858263850212097
Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.610672652721405
COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.4722980856895447
C/C=C/c1cc(OC)c(cc1OC)OC,0.484067440032959
COc1cc(ccc1O)C[C@H]1CO1,0.4848429262638092
Nc1ccc2c(c1)nc1c(n2)cccc1,0.8249093890190125
OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.3373534083366394
O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.888462245464325
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.25570935010910034
[O-][N+](=O)c1ccc(c(c1)C)N,0.6150600910186768
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.43483614921569824
N1C(=O)C(=N#N)C=NC1=O,0.40141168236732483
Clc1ccc2c(c1)cccc2,0.512633204460144
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.16509780287742615
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.651039719581604
C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.4319828152656555
CONC(=O)Nc1ccc(cc1)Br,0.4176715910434723
Cn1ccnc1S,0.18046587705612183
c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.8127633333206177
OC(=O)[C@@H]1CSCN1,0.20960204303264618
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.96012943983078
COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5738996267318726
CCN1CCNC(=O)C1=O,0.44361957907676697
c1ccc2c(n1)C1OC1C1C2O1,0.48895326256752014
O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.5204290151596069
BrC(C1=C(Br)C(=O)OC1O)Br,0.4549444615840912
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,0.3349509835243225
Oc1ncc(cc1N)c1ccncc1,0.35773009061813354
CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.36991217732429504
NCC(=O)O,0.33227238059043884
Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.5478683710098267
Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7491464614868164
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.6275039911270142
O=Nc1[nH]cnc1c1ccccc1,0.6528684496879578
OCC(=O)N(c1ccc(cc1)Cl)O,0.3918599486351013
CC(=O)Nc1ccc(cc1)c1ccccc1,0.46079206466674805
OCCC#N,0.2584591507911682
COC(=O)CCl,0.6016071438789368
OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.6941744685173035
Oc1ccc2c(c1N)cccc2.Cl,0.6698187589645386
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.3191588819026947
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.775220513343811
ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.5134569406509399
[O-][n+]1ncc2c(c1)cccn2,0.6897268295288086
NCCc1c[nH]cn1,0.3571723997592926
O=NN(c1ccccn1)C,0.5294449925422668
Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.6010604500770569
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.2254033386707306
CC(=O)n1cncc1,0.45804935693740845
O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.665725827217102
CCCC(=O)c1cc(O)c(cc1O)O,0.4422042965888977
C=CC(=O)c1ccc2c(c1)OCO2,0.5636899471282959
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.4943609833717346
CCOC(=O)c1ccc(cc1)N(C=O)O,0.44787663221359253
CCCCCN(N=O)CCCCC,0.5499606728553772
OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.31201988458633423
O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.7351153492927551
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.35150426626205444
CCn1c(N)nc2c1c(C)cc1c2cccn1,0.6080371141433716
CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.14840935170650482
CNC(=O)NC,0.3256300091743469
ClCCP(=O)(O)O,0.4647597670555115
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.6670817732810974
OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.4999556541442871
[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.5265984535217285
OCc1ccc(cc1)C,0.5394482612609863
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.4370751976966858
O=C/C=C\c1ccccc1,0.6081582307815552
OC(=O)CCC(=O)O.[Na+].[Na+],0.22626519203186035
C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.38335782289505005
Cc1c2ccccc2c(c2c1cccc2)C,0.7416810989379883
OCNC(=O)NCO,0.3238704800605774
Nc1ccc(cc1)Nc1ccccc1,0.6379165649414062
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.5185197591781616
NC(=S)NCC=C,0.40560203790664673
CNC[C@@H](c1ccc(c(c1)O)O)O,0.4977473318576813
c1ccc2c(c1)cc(cc2)OCC1CO1,0.7545087933540344
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.524580717086792
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.39716702699661255
OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.5933176279067993
CCOC(=O)CCl,0.5338023900985718
CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.6727768778800964
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.1544455587863922
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.17315921187400818
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,0.40026354789733887
O=c1nc[nH]c2c1cccc2,0.5831488370895386
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,0.4657081961631775
COC(=O)c1ccc(cc1)C=O,0.5321225523948669
CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.3260188698768616
CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.47796154022216797
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,0.5420728921890259
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.6696219444274902
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,0.5173177719116211
OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.6507716178894043
Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.5882962942123413
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.28800052404403687
COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.3539414405822754
Cc1ccc2c(c1)nc([nH]2)N,0.5834876298904419
O=c1nc[nH]c(=O)[nH]1,0.38453179597854614
O=C(C1OC1)Nc1ccccc1,0.5452470779418945
OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.36184805631637573
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,0.2655412554740906
O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.5450421571731567
CCNC(=O)CC[C@@H](C(=O)O)N,0.35611921548843384
ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.6147221326828003
CC(Br)C,0.27355530858039856
CC(=O)c1ccc[nH]1,0.3767417371273041
[N-]=[N+]=NC[C@@H](CO)O,0.5850681662559509
O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.49154648184776306
CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.2638702094554901
CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.191035658121109
Nc1ccccc1SCCSc1ccccc1N,0.3718406558036804
CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.27586838603019714
OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.39043518900871277
C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.7274373173713684
Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.6268989443778992
CCCCNCCCC,0.39142081141471863
CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.5298610329627991
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.2403918206691742
CCSCCSP(=S)(OC)OC,0.343149334192276
O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.46135759353637695
CN(N)C,0.5733959674835205
O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.5927402377128601
CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.3776584267616272
N1CCNCC1,0.5038908123970032
OS(=O)(=O)ONNCCc1ccccc1,0.4846417009830475
Cc1ccc(cc1)Cl,0.3316112160682678
BrC(C(=O)O)Br,0.40703266859054565
BrCc1ccccc1,0.6374834775924683
Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.6098816990852356
CCCCOCCO,0.34023383259773254
Nc1n[nH]cn1,0.4512844979763031
C=CC(=C)C,0.34418582916259766
ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.3332759439945221
COc1nsc2c1ccc(c2)N,0.7291958332061768
CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.6361573934555054
ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.5769429802894592
C1CCC[C@H]2[C@@H](CC1)O2,0.5183466672897339
OC/C=C(/CCC=C(C)C)\C,0.42455238103866577
Nc1ccc2c(c1)oc(=O)cc2C,0.5262430310249329
CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.5469879508018494
Oc1cccc(c1C)O,0.45282459259033203
CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.8738729357719421
ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.4322536587715149
O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.555237889289856
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,0.286674439907074
OCc1occ(c(=O)c1)O,0.5096439123153687
OC(=O)c1ccc(cc1)N,0.41511115431785583
CNCCCN1c2ccccc2CCc2c1cccc2,0.6356638073921204
Ic1cc2cccnc2c(c1)C(=O)O,0.2728160321712494
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.15005485713481903
O=C(c1ccccc1)OOC(C)(C)C,0.4164108633995056
C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.6068562865257263
OCc1ccccc1,0.5284398794174194
CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.45930996537208557
OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6939531564712524
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.6544906497001648
O=Cc1c(Cl)cccc1Cl,0.47509726881980896
O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8999441266059875
ClCC(=O)Nc1snc2c1cccc2,0.7677609324455261
O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.706824004650116
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,0.5666559338569641
Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.8875734210014343
COc1cc(ccc1O)C(=O)C,0.4478289484977722
Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7193874716758728
O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.6024171710014343
ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.3635020852088928
SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.09756232798099518
Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.5901629328727722
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.4689468443393707
OC(=O)c1cccc(c1N)O,0.5054124593734741
CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8541264533996582
CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.09362192451953888
CC(C=O)CC,0.37464985251426697
COc1ccc(cc1)N=O,0.6520633101463318
Nc1ccc2c(c1C(C)(C)C)cccc2,0.5839868187904358
CC(COC(=O)C(=C)C#N)C,0.1680230051279068
OC(=O)/C=C/C=C/C(=O)O,0.4419063925743103
NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.5894860029220581
CC(=O)Nc1cccc(c1)N,0.4303967356681824
CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.3600844144821167
Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.6817725300788879
Nc1ccc(c(c1)O)[N+](=O)[O-],0.6269074082374573
Cc1cccc2c1cccn2,0.616085410118103
O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.4035017490386963
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.8807041049003601
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0.48167163133621216
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.515842616558075
N#C/C(=C\c1ccco1)/C(=O)OC,0.4221969544887543
COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.5759695768356323
Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.6318844556808472
OCc1cc2c([nH]1)c1ncccc1cc2,0.7399481534957886
OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.2606605291366577
C1C2SCC=CN2C1=O,0.3909026086330414
OCCCNP(=O)(N(CCCl)CCCl)O,0.5646898746490479
CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.4595896601676941
Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9219115972518921
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.5223051309585571
ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.5024307370185852
O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.38165122270584106
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,0.5487518310546875
COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.5833706259727478
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,0.3309280276298523
Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.549328625202179
N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.41802310943603516
Clc1cccc2c1cc1ccccc1c2,0.6836073994636536
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,0.25105994939804077
Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.4064013361930847
CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.6579128503799438
Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.5478683710098267
NC(C(S)(C)C)C(=O)O,0.2551785707473755
OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.40071940422058105
BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.3725298345088959
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.7114880084991455
O=Nc1ccccc1c1ccccc1,0.7874699831008911
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.12995174527168274
OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.487919420003891
CC(C[C@@H]1NC(=O)CNC1=O)C,0.12211934477090836
Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.6012389063835144
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.8523527383804321
Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.3838297426700592
OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.40226346254348755
CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.6432192921638489
CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.5354417562484741
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9574546813964844
BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9069255590438843
Cn1c(N)nc2c1cccc2,0.6370924711227417
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,0.33033737540245056
[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.6419671773910522
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.8384143710136414
CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.33358097076416016
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.303608238697052
CN(c1[nH]cnc2-c1ncn2)C,0.4831801950931549
CCN1CCN=N1,0.6508428454399109
CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.5453249216079712
OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.7039682269096375
O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.32956933975219727
OC1C=Cc2c(C1O)c1cccnc1cc2,0.608378529548645
CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.2048296481370926
Br[C@@H](C=O)CBr,0.6020606160163879
CCCC[C@@H](C(=O)O)CC,0.17633621394634247
O1CCN(CC1)Sc1nc2c(s1)cccc2,0.6765556335449219
[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9552752375602722
O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.6966705322265625
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.7629039883613586
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.3866810202598572
NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.6893563270568848
OC(=O)CCc1c[nH]c2c1cccc2,0.1931035816669464
COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.5225793719291687
O=CNc1ccc2-c3c(Cc2c1)cccc3,0.7297791242599487
CC(F)(F)F,0.29475948214530945
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,0.3343002200126648
O=c1ccc2c(o1)c1ccoc1cc2,0.7274405360221863
N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.590324342250824
COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.6294428110122681
CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.6424226760864258
ClCCOCCCl,0.6150016784667969
CCc1ccc(nc1)C,0.1799306571483612
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.31730151176452637
Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8093266487121582
O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.16792340576648712
O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.5912663340568542
OCCN(CCO)CCO,0.3711368143558502
NCCCCCCCCCCC(=O)O,0.17201058566570282
[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7056085467338562
Nc1cccc(c1)Cl,0.3168230652809143
CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.44394630193710327
COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.49697479605674744
[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.5009682178497314
ONc1ccc(cc1)Cl,0.5543789863586426
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9247311353683472
Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.21326832473278046
Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.516193687915802
Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.7002719640731812
COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.4317227303981781
O=C1NC(=O)C(=C(Cl)Cl)C1,0.35760653018951416
O=NN(CCCC(=O)c1cccnc1)C,0.5369668006896973
NC(=N)N,0.402446985244751
O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.4703066349029541
O=NN(C)C,0.7300022840499878
Cc1ncc[nH]1,0.392636775970459
CCCC(=O)Cl,0.3060230016708374
CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.5387508869171143
OC(=O)Cc1cccc2c1cccc2,0.4195341169834137
O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.46186384558677673
Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.763790488243103
O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.3635004162788391
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5751525163650513
COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.511904239654541
OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.33681362867355347
O=C=Nc1cccc(c1C)N=C=O,0.5451825857162476
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.5125851035118103
ClC(=O)c1ccc(cc1)C(=O)Cl,0.4782167375087738
O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.5386983156204224
Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.610672652721405
CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.15106433629989624
ClC(C(C(F)(F)F)(F)F)Cl,0.5889708995819092
C=CC(=O)OCC(C)C,0.2321205586194992
O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.19635248184204102
Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.5930982828140259
N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.48091191053390503
[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.7463339567184448
CNC(=O)Oc1ccccc1OC(C)C,0.4183383584022522
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)O2,0.5476523637771606
ClCCSCc1ccccc1,0.6775861978530884
O=NN(CC(=O)C)COC(=O)C,0.3744654357433319
O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.3347121775150299
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.27818331122398376
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.15008766949176788
C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.7501239776611328
NCCN1CCNCC1,0.5955160856246948
C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.4801810383796692
OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.3111376166343689
C/C=C\c1cc(OC)c(cc1OC)OC,0.5069237947463989
[O-][N+](=O)c1ccc(o1)c1cscn1,0.7445191144943237
COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.8534971475601196
C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.6332663893699646
ClC(C(Cl)(Cl)Cl)Cl,0.41041818261146545
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,0.5836676359176636
COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.36142629384994507
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.39753127098083496
CC(OC[C@@H]1OC1)(C)C,0.32794955372810364
OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.4583749771118164
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.37751564383506775
Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7832509875297546
O=Nc1cc(ccc1C)[N+](=O)[O-],0.8099709749221802
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.3951612114906311
Nc1ccc(c(c1)Cl)Cl,0.6200710535049438
Clc1ccc(cc1)[S@](=O)C,0.47567930817604065
CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.1924726665019989
O=NN(c1cccnc1)C,0.6592768430709839
Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7924250364303589
ClC(=O)c1ccccc1C,0.41699284315109253
N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.4640916883945465
CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.551439642906189
Ic1cc(Cl)c2c(c1O)nccc2,0.5171576738357544
O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.42148756980895996
CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.454338401556015
COCCCN,0.22963853180408478
[O-][N+](=O)c1nccn1C[C@H](COC)O,0.4263457655906677
CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.33358097076416016
Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.7748826146125793
OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.44705063104629517
O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.49154648184776306
Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.590309739112854
c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8533192873001099
CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.6056174039840698
Fc1cnc2c(c1)c1ccccc1cc2,0.7026850581169128
NC(C(=O)O)CSCCCl,0.5071035027503967
CC1=CC(C)(C)Nc2c1cccc2,0.3713374137878418
OC(=O)C1CC(N(C1(C)C)O)(C)C,0.26330283284187317
Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.37420013546943665
Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.6334857940673828
CC1=C(C)C(=O)C(=C(C1=O)C)C,0.4527083933353424
O=C1C=Cc2c(C1=O)cccc2,0.6109422445297241
COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.5332133173942566
Clc1c(O)cccc1Cl,0.42215442657470703
NC(=O)[C@H]1CO1,0.45756688714027405
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.3562505841255188
CCC(CO)(CO)CO,0.36874955892562866
Cc1cc(C)nc(n1)N,0.3688982129096985
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.04556041583418846
O=NN(Cc1cccc(c1)C#N)C,0.7499988079071045
COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.3783625066280365
O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.19885611534118652
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.38294926285743713
c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.5551879405975342
[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9057982563972473
CCCCC#N,0.11254346370697021
ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.6183456778526306
c1ccc2c(c1)c(OCC1CO1)ns2,0.6584340333938599
COc1ccccc1O,0.48272189497947693
NNc1ccccc1,0.6872376203536987
COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.6631187796592712
C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.5632156133651733
[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.5271753072738647
CCN([N+](=NO)[O-])CC,0.5800114870071411
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,0.3530941903591156
CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.5722227096557617
O=c1[nH]ncc2c1cccc2,0.581547737121582
Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.643896222114563
OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.3363622725009918
OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.2102932184934616
OC/C=C/Cl,0.5421156287193298
O=C/C=C/C(O)C,0.41627246141433716
c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8784738779067993
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.1257154643535614
Oc1ccccc1c1nc2c(o1)cccc2,0.49004054069519043
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.6182136535644531
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.13264694809913635
CCC(=O)C(=O)C,0.3112184405326843
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,0.40823984146118164
CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.5698875784873962
c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9155624508857727
COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.5282881259918213
NCC[C@H](N)C,0.2960036098957062
Oc1cnc2c(c1)cccc2,0.5025273561477661
COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6778733134269714
ClC(=O)OCc1ccccc1,0.41974306106567383
CCCCCCNCCCCCC,0.47318142652511597
O1CCOCCOc2c(OCCOCC1)cccc2,0.5653682351112366
Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7431031465530396
C=CC(=O)NC(CC(=O)C)(C)C,0.3427445888519287
OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.3862425684928894
Nc1cnc2c(c1)nc1n2cccc1,0.739768385887146
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,0.5187565684318542
Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.5894783735275269
OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.5682504773139954
C/C=C\C=C/C(=O)O,0.28089308738708496
Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.30314651131629944
CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.3308716118335724
ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.4364505708217621
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.42494168877601624
OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.5485021471977234
CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5586956739425659
CCc1c2ccccc2cc2c1c1ccccc1cc2,0.7374692559242249
N#Cc1ccc(cc1)C1(C)OC1,0.6581908464431763
NC(C(=O)O)CSC(C(Cl)F)(F)F,0.5468133687973022
CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.10715029388666153
BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6880747079849243
Clc1cc(Cl)nc(n1)N,0.2454601228237152
CC(=O)Nc1cccc2c1-c1ccccc1C2,0.5784980654716492
C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.30150577425956726
BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.5710763931274414
O=Cc1ccc(cc1)[N+](=O)[O-],0.8522108197212219
C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5158335566520691
Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5804081559181213
CCOc1ccccc1OCC1CNCCO1,0.3843153119087219
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.5587931871414185
CCCCCCCCC(=O)OCC=C,0.202777698636055
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.31166139245033264
CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.3538711965084076
Cc1ccc2c(c1)cccc2,0.6907731294631958
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.6099809408187866
COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.32933542132377625
CCCCN(C(=O)N)N=O,0.4358683228492737
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,0.4393928647041321
Nc1nc(N)nc(n1)Cl,0.21960453689098358
COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.33997735381126404
BrCCC(Br)Br,0.3479369282722473
Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.5681760907173157
CCSCSP(=S)(OCC)OCC,0.39295637607574463
Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.4312801957130432
[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.6696141362190247
OC(=O)CCc1ccccc1,0.26295632123947144
Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.4062904715538025
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,0.4037558436393738
N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.26113566756248474
OCc1cccc(c1)Oc1ccccc1,0.6097275018692017
ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.532248318195343
CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.2607831358909607
CC(=O)OCc1ccccc1,0.3440161943435669
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.3851030468940735
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9457693099975586
OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.5842217803001404
OC(=O)c1ccc(cc1)[N+](=O)[O-],0.4552273154258728
Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.7405833005905151
CCC(=O)C(=O)CC,0.24828386306762695
C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.42476195096969604
NC(=O)c1ccccc1O,0.390746533870697
COc1ccc(cc1)C[C@@H]1OC1,0.5780535936355591
ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.7739697694778442
COc1cccc(c1C(=O)N)OC,0.4627154767513275
COc1ccc(cc1N)N,0.6224864721298218
ClNc1ccc2-c3c(Cc2c1)cccc3,0.7752925753593445
OC(=O)CN=N#N,0.387239545583725
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.8146696090698242
ClCC(=O)c1ccc(cc1Cl)Cl,0.5883585810661316
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.5802880525588989
[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.3289768695831299
CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.2804310619831085
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.5471464395523071
NNc1scc(n1)c1ccc(cc1)N,0.641741931438446
OCC[C@H](CCC=C(C)C)C,0.3677009642124176
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.43779268860816956
OCCOc1ccccc1,0.5096065402030945
c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.728080153465271
O1C(C1c1ccccc1)c1ccccc1,0.4445328116416931
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)cccc2,0.580898642539978
Oc1cc(O)c2c(c1)oc(=O)cc2C,0.35892805457115173
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,0.41950899362564087
[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9036937952041626
CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.3911513686180115
COP(=S)(OC)OC,0.38181760907173157
CCCCCCC=C,0.25717848539352417
O=c1ccc2c(o1)cc1c(c2)cco1,0.6317518949508667
Clc1ccc(cc1)CC1OC1,0.4656452238559723
ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.5467923283576965
Cc1cc2ccccc2c(c1)C,0.584576427936554
c1ccc2c(c1)nccn2,0.6133255958557129
C=CCN(CC=C)CC=C,0.29582223296165466
C1CC[C@H]2[C@@H](C1)O2,0.38246697187423706
CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.3921380937099457
COC(=O)c1ccccc1NC,0.4699614644050598
CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.08987313508987427
Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.5970641374588013
COC(=O)c1ccccc1CS(=O)(=O)N,0.43558287620544434
BrCCCBr,0.3935489058494568
O1Cc2c(C1)cccc2,0.5960322022438049
OCc1ccc(cc1[N+](=O)[O-])N,0.6330674886703491
CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.534640371799469
CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.32628002762794495
O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.5402149558067322
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,0.38048839569091797
Cc1c(C)cccc1N,0.5163941383361816
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.5361689329147339
C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.4307253360748291
O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.24876897037029266
COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.5594651103019714
COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.3535946309566498
OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.7064846754074097
CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.28994420170783997
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,0.48033207654953003
OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.44938912987709045
O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.6445245146751404
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.4088761806488037
CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.36435890197753906
N#CC(/N=N/C(C#N)(C)C)(C)C,0.5813585519790649
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.12411339581012726
Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.67469322681427
CNc1ccc(cc1)O,0.5485021471977234
O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9407920837402344
NC(=O)c1ccccc1C(=O)N,0.5181357264518738
O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.3808137774467468
Nc1ccccc1N,0.5938822031021118
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.5786002278327942
CCOCC=O,0.37380701303482056
[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.5178056359291077
c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.4604201316833496
CCCCCCOC(=O)C(=C)C,0.19798579812049866
Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.616613507270813
Oc1nsc2c1cccc2,0.473923921585083
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.3763049244880676
CCCC(=O)OCCC(C)C,0.1724218875169754
COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.46522873640060425
OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.5770083665847778
O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.6925181150436401
OC(=O)c1cccc(c1)[N+](=O)[O-],0.395966112613678
OC(=O)Cc1ccc(cc1)Cl,0.3074953556060791
CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.4125540852546692
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.5065769553184509
OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.44938912987709045
COc1cc(ccc1NC(=O)C)NC(=O)C,0.4501113295555115
BrC[C@H](Br)C,0.3661017417907715
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.26875168085098267
Nc1nnc(s1)S,0.22181148827075958
Cc1ccc(c(c1)C)[N+](=O)[O-],0.7238699197769165
Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7035080790519714
Oc1cc(O)c2c(n1)cccc2,0.3733077645301819
Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.30410927534103394
Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8325341939926147
O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.46678677201271057
CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.13027940690517426
O=C1NS(=O)(=O)Cc2c1cccc2,0.3205879330635071
CNC(=O)ON(C(=O)NC)C(=O)C,0.5509186387062073
c1ccc(cc1)[Se][Se]c1ccccc1,0.4474762976169586
CC(C(=O)OC)CN=N#N,0.46060505509376526
N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5677234530448914
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.6097491383552551
ClC[C@H](O[C@@H](CCl)C)C,0.464013010263443
Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.5980511903762817
CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.4162667393684387
CNC(=O)CSP(=S)(OC)OC,0.3573535084724426
Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7074556350708008
CCC1(C(=O)NCNC1=O)c1ccccc1,0.30463969707489014
OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.434558629989624
Clc1ccc(cc1)C(Cl)(Cl)Cl,0.1933111846446991
CCOc1ccc(cc1N)N,0.6049901843070984
O=C(C1OC1)NCc1ccccc1,0.562621533870697
C=C[C@@](CCC=C(C)C)(O)C,0.32968848943710327
Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.7202662825584412
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,0.312349796295166
Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.6179007291793823
ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.4853111207485199
C=C[C@H]1CCC=CC1,0.25098174810409546
CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.4204966425895691
CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.5541598200798035
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,0.44101420044898987
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.850328266620636
O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.44932276010513306
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.7793020606040955
OC(=O)[C@H](O)C,0.2984757423400879
COc1cc(/C=C/C(=O)O)ccc1O,0.2869679033756256
ClCc1ccc(cc1)C,0.6203330755233765
CCOc1ccccc1[N+](=O)[O-],0.575244128704071
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.34814852476119995
OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.3502127528190613
CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.7365434169769287
O=C1CCCCCCCCCCCCCCO1,0.20565147697925568
CNC(=O)ON(C(=O)NC)C(=O)NC,0.5303441286087036
Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.739101231098175
Nc1ccc(c(c1)C)N,0.5758845210075378
NNc1nncc2c1nccc2,0.8635225296020508
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.18747003376483917
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.1334305852651596
S=c1scc(s1)c1ccccc1,0.342196524143219
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,0.45031222701072693
Nc1cc([N+](=O)[O-])c(cc1F)N,0.6929587125778198
OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.5021114945411682
O=Cc1ccc(cc1)C,0.5892574191093445
Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.41982150077819824
O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.4297308921813965
O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.4393928647041321
Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6090695261955261
CCCCOc1ccc(cc1)CC(=O)NO,0.3400734066963196
COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.42385369539260864
ClC(c1ccccc1)C(=O)NCc1ccccc1,0.593400239944458
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.32229334115982056
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.30727145075798035
OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.5924094915390015
N#CCC[C@](C#N)(CBr)Br,0.420490562915802
CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.08864077180624008
C1CCCCC[C@H]2[C@H](CCCC1)O2,0.590014636516571
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.5834607481956482
CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.17492274940013885
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.19739004969596863
ClC1=CC(=O)C(C1=O)(Cl)Cl,0.4365875720977783
OCC=C,0.39379948377609253
O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8027000427246094
CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.3564048707485199
COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.6431265473365784
[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.9364005923271179
Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.6212831735610962
ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.6713201999664307
ONC(=O)c1ccccc1,0.5016218423843384
Nc1ccnc2c1cccc2,0.6428306698799133
CC1(OC1)c1ccc(cc1)c1ccccc1,0.48213958740234375
Cc1cc(N)c(cc1N)C,0.5750423669815063
Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.7645431160926819
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.46094387769699097
COC(=O)C(Cl)Cl,0.4916941523551941
NC(=O)N/N=C/C(=O)O,0.46037107706069946
Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8538249731063843
[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5410661101341248
Cc1cc(C)cc(c1)O,0.3654521107673645
Nc1cc2nc3ccccc3nc2cc1N,0.7850047945976257
N#Cc1cc(ccc1N)[N+](=O)[O-],0.6396246552467346
O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.40818896889686584
Cn1c(N)nc2c1cc1cnccc1n2,0.6739993095397949
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.645508885383606
O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.2866654396057129
O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.6499741077423096
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.2941020131111145
COCCOC,0.286727637052536
COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.5020673871040344
OC(c1c(C)cccc1[N+](=O)[O-])O,0.5167587995529175
c1ccc2c(c1)cnnc2,0.6888280510902405
Cc1ccccc1c1nc2c(o1)cccc2,0.5793283581733704
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,0.532963752746582
OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.6492727994918823
COc1ccc2c(c1)nc1c(c2OC)cco1,0.6207797527313232
CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6036449670791626
BrCC(=O)Nc1ccc(cc1)C,0.41217589378356934
NCCNc1cccc2c1cccc2,0.78985995054245
Clc1ccc(c(c1)N)Cl,0.5456295013427734
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,0.36683908104896545
CC1(CO1)C1CO1,0.4544910788536072
C=CC(=O)OCCCCCCOC(=O)C=C,0.333354651927948
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.721657395362854
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.3800376355648041
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.64112389087677
O=C1CCCN1C,0.3525998592376709
CNC,0.42930173873901367
Oc1ccc(cc1)c1ccc(cc1C)N,0.5129214525222778
OCc1ccc(cc1)NNC(=O)C,0.407569944858551
[O-][n+]1ccc(cc1)[N+](=O)[O-],0.5445337891578674
CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.2476242333650589
N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.327933132648468
O=CC1C=COC=C1,0.5752864480018616
Cc1ccc(c(c1)N)O,0.556610643863678
CCCC[C@H](COCCC#N)CC,0.10126198828220367
Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.5398982763290405
CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.4029098451137543
NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.5646430253982544
N#C/C=C\C#N,0.35434824228286743
OCCCN(N=O)CC,0.5660504102706909
c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.7545087933540344
NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.4289257526397705
COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.249299094080925
Oc1ccc2c(c1)cccn2,0.49877652525901794
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,0.5744603872299194
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.46645379066467285
[O-][N+](=O)c1ccccc1C(=O)O,0.3914858400821686
Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.6090728044509888
NCCNCCNCCN,0.5693371891975403
[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.9033042788505554
CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.5485994815826416
COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.6506684422492981
CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.1380433738231659
c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8943831324577332
CCCCc1cc(C)cc(c1O)CCCC,0.3267905116081238
OC(=O)C(CCS(=O)(=N)C)N,0.349131315946579
C1CCC2(CO1)CO2,0.25950509309768677
OCCBr,0.4947945475578308
COCC(=O)Nc1c(C)cccc1C,0.4247303009033203
OC1=CC(=O)C1=O,0.4908377528190613
CCCCCCN(C(=O)N)N=O,0.40097326040267944
C/C=C/Cl,0.42271262407302856
C1CCC2C(C1)c1ccccc1C=C2,0.7155669927597046
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,0.463784396648407
CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.4827238917350769
OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.35347265005111694
N#CSCSC#N,0.065971240401268
CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.6813477277755737
Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.6409514546394348
CNc1nc(C)c(c(n1)O)C,0.26693445444107056
CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.36047372221946716
CC(=O)OCCOCCOCCOC(=O)C,0.2651040852069855
CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.6200809478759766
O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.4445526599884033
Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7556235790252686
Nc1ccc2c(n1)n1ccccc1n2,0.7910815477371216
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,0.30593186616897583
CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.6098888516426086
CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.3989184498786926
CCC/C=C(\C=O)/CC,0.3607200086116791
NCc1cccc(c1)CN,0.6406587958335876
O=CN(N=O)C,0.7267756462097168
CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.4442592263221741
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9448903203010559
[O-][N+](=O)c1ccccc1C,0.6166824102401733
[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.6855853796005249
OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.3625776767730713
CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.298452228307724
O=C(c1ccccc1)c1ccccc1,0.546463131904602
[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.7149243950843811
N[C@@H]1CCC[C@H](C1)N,0.34187522530555725
O1C[C@@H]1c1ccccc1,0.527126669883728
COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.5173641443252563
[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9149662852287292
OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.5987694263458252
O=C(C(Br)(C)C)Nc1ccccc1,0.37254899740219116
Nc1nccs1,0.5238537192344666
OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.578325092792511
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8420621752738953
CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.3665243983268738
OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.32978707551956177
Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.6394144892692566
Cn1sc(cc1=O)Cl,0.4128890633583069
OC(=O)c1ccccc1C(=O)O,0.35632315278053284
ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.7227821350097656
COc1cc(N)c(cc1N)[N+](=O)[O-],0.6342082619667053
CN(C(=O)NC)N=O,0.5063849687576294
O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.6240813732147217
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,0.5540632009506226
FC(C1=C(C=N[N]1)C(=O)O)F,0.5828944444656372
C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.6961100697517395
NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.5646898746490479
CC(=CCC1CCCC1=O)C,0.40192103385925293
OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.5609609484672546
NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.3977249264717102
Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.35782092809677124
c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.5077846646308899
CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.2818407714366913
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,0.3324283957481384
Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.575901985168457
CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.2515401244163513
CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.5370121598243713
COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.663329541683197
CCCCCCCCCCOC(=O)C(=C)C,0.09759674966335297
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,0.5516497492790222
CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.08591210842132568
Fc1ccc(c(c1)[N+](=O)[O-])F,0.5635595321655273
CNC(=O)O/N=C\C(SC)(C)C,0.4349181652069092
O=NN1CCOC(C1)O,0.5937467217445374
CC(C(=O)Nc1ccccc1)Br,0.4189191460609436
COc1cc(/N=N/c2ccccc2)ccc1N,0.6957247257232666
OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.40099239349365234
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.5020840167999268
OC(=O)CCCC(=O)O,0.2894381284713745
CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.3553678095340729
CCOC(=O)CNC(=O)CBr,0.4592365324497223
N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.7008148431777954
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.6413381099700928
O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.7022842168807983
ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.8476807475090027
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.7011917233467102
CCCCB(CCCC)CCCC,0.11662492901086807
[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.7883170247077942
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.3860759437084198
CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.05461568385362625
CCOS(=O)(=O)c1ccc(cc1)C,0.5166164040565491
COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.618454098701477
BrCC(=O)c1cccc(c1)OC,0.6059439182281494
COc1cc(OC)nc(n1)N,0.29207974672317505
Brc1ccc2c(c1)C=CC1C2CCCC1,0.5705327987670898
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,0.50951087474823
CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.1888798624277115
Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.29753944277763367
Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.572820782661438
Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.6413618326187134
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.3545777201652527
Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.49670901894569397
ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.5587308406829834
C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.2972448468208313
OCC(C(=O)O)N,0.38680148124694824
OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.49136996269226074
OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.2311040461063385
CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.11808674037456512
c1ccc2c(c1)[nH]cn2,0.5696372985839844
CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.5140194892883301
[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9004132151603699
c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7580784559249878
O(Cc1ccccc1)CC1OC1,0.5162293314933777
Nc1cccc2c1nccc2,0.6483508348464966
OC(=O)/C=C\C(=O)O,0.38498926162719727
CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.4102233052253723
Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.6886857748031616
C[C@@H]1CCC(=C(C)C)C(=O)C1,0.3863859474658966
C/C(=N\O)/CC,0.3156505227088928
OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.45962363481521606
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.5744911432266235
Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.4594297409057617
NC(=O)c1c(Cl)ccc(c1Cl)O,0.41649284958839417
CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.6711848378181458
CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.6846907734870911
OCc1ccc(cc1)Br,0.5744313597679138
O=c1[nH]cc(cc1O)C(F)(F)F,0.4619390070438385
CC1CCc2c(C1)occ2C,0.32457685470581055
O=C1C(=O)C2(C(C1CC2)(C)C)C,0.4966868758201599
Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9036444425582886
CNC(=O)N(c1nc2c(s1)cccc2)C,0.7083882093429565
OC(=O)c1c(N)cccc1N,0.41725197434425354
COc1ccc2c(c1)nc(n2C)N,0.5604520440101624
CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.24926981329917908
COc1ccc2c(c1)oc(=O)cc2CBr,0.5431927442550659
OCCN=N#N,0.5362681746482849
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.38242432475090027
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,0.5238965749740601
COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.5636422038078308
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.3428524434566498
CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.5393790006637573
Fc1cccc2c1nccc2,0.5509085655212402
c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.5585345029830933
BrCc1cccc(c1)[N+](=O)[O-],0.6955100297927856
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.36289462447166443
Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5320917367935181
CCCN(C(=O)SCc1ccccc1)CCC,0.2659827172756195
O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.6578202843666077
Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.4001387059688568
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.12102434784173965
O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8007816076278687
O=C/C=C/c1ccccc1[N+](=O)[O-],0.7774291634559631
Sc1ncc(c(n1)O)C,0.1674952208995819
Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5865904688835144
Cc1cccc(c1)c1nc2c(o1)cccc2,0.4118780195713043
O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.5487434267997742
COc1cc(C=O)ccc1O,0.5621092915534973
Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.5952003598213196
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.7147453427314758
Cc1cc(O)nc(n1)S,0.1266307532787323
Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.5218807458877563
C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.6116229295730591
c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.7458482980728149
ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.6104615926742554
CCN(C(=O)N(C)C)N=O,0.5688132643699646
OC(=O)C(Cn1cncc1)N,0.3431413173675537
CN(C(=S)SSC(=S)N(C)C)C,0.48513108491897583
CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.46563345193862915
N1CCN(CC1)c1ccccc1,0.6355732679367065
CC(c1ccccc1)CCN=N#N,0.5418071150779724
c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.5739088654518127
CC(N=C=NC(C)C)C,0.29889288544654846
COC=C,0.4735155999660492
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.6753069758415222
COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.581696093082428
[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9484866261482239
[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.7772313952445984
CC(=C)C(=O)OC(C)(C)C,0.2587963044643402
OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.5150259733200073
OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.5459214448928833
NCCCN,0.4836379885673523
Cc1c(C)cccc1O,0.4706953167915344
COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.49691900610923767
CC(=O)Nc1snc2c1cccc2,0.5798719525337219
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.6731548309326172
OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.42958107590675354
OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.4812520146369934
C1N2CN3CN1CN(C2)C3,0.557328999042511
NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.6871697306632996
CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.5952795743942261
Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.7764841318130493
Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7219613790512085
CC(CC(=O)C)C,0.18666651844978333
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.3041209578514099
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,0.4558832049369812
Oc1nc(O)nc(c1)C(=O)O,0.15480643510818481
CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.3146771788597107
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,0.3835267424583435
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.5426099896430969
Cc1ccc(cc1)OC[C@@H]1OC1,0.5193045735359192
N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.4390883445739746
Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.7185373902320862
BrCc1ccc(cc1)CBr,0.6696999073028564
Cc1ccc(c(c1O)C)C,0.4302672743797302
Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.5960004925727844
O=NN(c1ccccc1)c1ccccc1,0.7531324625015259
CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.5140538215637207
CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.537802517414093
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,0.5185888409614563
ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.7698359489440918
C=CN=Nc1ccccc1,0.5871289968490601
Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.6244655251502991
Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.3536297082901001
C1CC2OC2CCC2C1O2,0.5827769041061401
Cc1nccnc1C,0.2522768974304199
COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.5057796239852905
[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.5097240805625916
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.7829115986824036
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,0.27351194620132446
O=C/C=C/c1ccc(cc1)N(C)C,0.5692253708839417
CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.44206514954566956
C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.5926514863967896
Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.6138429045677185
Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.22444958984851837
O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5533438920974731
BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.5245278477668762
O=NN(C(=O)N)C[Si](C)(C)C,0.6123360395431519
c1coc(c1)c1nc2c([nH]1)cccc2,0.590234637260437
CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.26188182830810547
Fc1cnc2c(c1)c(F)ccc2,0.5362657308578491
CCCCOC(=O)C=C,0.21205385029315948
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.15619613230228424
NNc1ccccc1.Cl,0.6364864110946655
ClCCCl,0.514466404914856
OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.5551314353942871
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.33639252185821533
CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.48909997940063477
Nc1ccc(c(c1)[N+](=O)[O-])O,0.5864002108573914
c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.7476094961166382
O1CCOCCOCCOCCOCC1,0.4849253296852112
OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.45648083090782166
n1ccc2c(c1)cnnc2,0.5589526891708374
CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.5947788953781128
O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.4699157178401947
Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7573833465576172
c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.5631896257400513
Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.5462483167648315
Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.6035240888595581
Cc1cccc2c1c1cc3ccccc3cc1cc2,0.7209503054618835
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,0.5872851014137268
CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.5118988752365112
CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.5084709525108337
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,0.1329389214515686
c1ccc2-c3ncsc3CCc2n1,0.6381738185882568
Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7802051305770874
O=NN(Cc1ccccc1)Cc1ccccc1,0.6805849075317383
[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8005253672599792
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.5022227168083191
C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.6858669519424438
[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9012416005134583
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.804044246673584
c1ccc2c(c1)c(ccc2)CC1CO1,0.7461005449295044
C[C@H](CO)Cl,0.47344136238098145
COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.5583425760269165
[O-][N+](=O)c1c(C)cccc1C(=O)O,0.37784141302108765
CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.4780896306037903
Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.5663578510284424
Nc1cccc2c1cccn2,0.5954197645187378
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.831902027130127
C=Cc1ccc(cc1)C,0.4346049427986145
CCC(=O)C,0.24434752762317657
[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.8495176434516907
S=C(NC1CCCCC1)NC1CCCCC1,0.32815027236938477
CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.6189719438552856
[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.5879915356636047
Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.631121039390564
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.2301490753889084
CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.47693246603012085
OC(=O)CNCP(=O)(O)O,0.48698490858078003
c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.8252769708633423
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.5995228886604309
OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.16700153052806854
COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.4994196891784668
FC(c1ccccc1)(F)F,0.5137151479721069
O=C(Cc1ccccc1)OCc1ccccc1,0.2984415888786316
CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.4040560722351074
NC1CCCCC1,0.32995373010635376
O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.449275404214859
CC(=O)OCN(N=O)CCCl,0.6699494123458862
COc1c2oc(=O)ccc2cc2c1occ2,0.5772436857223511
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.32696670293807983
O1CCC2(CC1)CO2,0.5085262060165405
ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.4875975251197815
ClCC(=O)OC(C)C,0.43820422887802124
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9101392030715942
Nc1ccc2c(n1)no[n+]2[O-],0.6997722387313843
Brc1cc2cccnc2c(c1)C(=O)O,0.3114548325538635
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.7400459051132202
CNNCc1ccc(cc1)C(=O)NC(C)C,0.45063790678977966
O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.5997090339660645
Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.49998530745506287
NC(C(=O)O)CSC(C(F)F)(F)F,0.5219565629959106
COC(=O)c1oc(c(c1Cl)Cl)N,0.4685637950897217
O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.7921057939529419
ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.43336910009384155
OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.5811768770217896
CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.14310398697853088
CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.48322048783302307
c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.7368077039718628
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.47455912828445435
[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.9192261695861816
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,0.5831869840621948
ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.3096577525138855
O=C1CCC(=O)O1,0.2883414030075073
O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.541215717792511
CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.19710218906402588
C1CCC2C(C1)c1ccccc1C1C2O1,0.6721218228340149
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.7711561918258667
Nc1sc2c(n1)cc(c(c2)C)C,0.6820506453514099
OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.7122231721878052
CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.4584183692932129
c1ccc2c(c1)cnc1c2cccc1,0.7735159397125244
Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.749430775642395
COc1cc(F)ccc1[N+](=O)[O-],0.5580682754516602
N=C(Nc1ccccc1)Nc1ccccc1,0.46807661652565
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+],0.3364511728286743
OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.515569806098938
Clc1ccc(c(n1)C(=O)O)Cl,0.15193937718868256
CCOc1ccc(cc1)NO,0.5352224111557007
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.5559300184249878
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.3274274468421936
ClC(=C1OC(=O)C(=C1)Cl)Cl,0.3866051137447357
Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.5774737596511841
[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.8550233840942383
Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.5867294073104858
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.5780512094497681
COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.5916448831558228
CC(Cl)C,0.31083816289901733
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.6717504262924194
OCc1ccc(cc1)OC,0.49852055311203003
[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.781214714050293
OC/C=C(\CCC=C(C)C)/C,0.4989977777004242
COCCOC(=O)C=C,0.5402339696884155
[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.6205040216445923
BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.6430226564407349
O=C1NS(=O)(=O)c2c1cccc2,0.5038233995437622
NC(=O)NCC(=O)O,0.4275000989437103
O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.5750737190246582
Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.5844916105270386
OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.23167447745800018
N#CC1(O)CCCCC1,0.40366706252098083
C1CCCO1,0.29984137415885925
O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.15194261074066162
CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.27872756123542786
CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.4292376637458801
ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.5635877251625061
COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.5099338889122009
CCCCCCCC(=O)O,0.13304981589317322
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.24142396450042725
CC(O[P@@](=O)(F)C)C,0.42292746901512146
Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.7584546804428101
O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8691099286079407
NC(=S)c1c(Cl)cccc1Cl,0.4243761897087097
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.5055621862411499
Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.7346976399421692
CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.7565901279449463
S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5446752309799194
Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.5690900087356567
NCc1ccc(cc1)CN,0.616709291934967
N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.4370270371437073
O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.4503990113735199
O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.4922301769256592
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.48757678270339966
N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.4119807779788971
CCCCCCCCC,0.26868513226509094
OC(=O)C[C@@H](C(=O)O)Cl,0.41906753182411194
Nc1ccccc1S,0.39657336473464966
Nc1ccc(cc1)[N+](=O)[O-],0.6344490051269531
CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.4798129200935364
O/N=C/1\C=C/C(=N/O)/C=C1,0.5972553491592407
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,0.4502285122871399
Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.47124725580215454
OC(=O)COc1ccc(cc1C)Cl,0.23812361061573029
CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.6278513669967651
CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.3393216133117676
C=CCc1cc(OC)c2c(c1)OCO2,0.4715704917907715
Cc1cc2ncccc2c2c1n(C)c(n2)N,0.6937216520309448
Cn1nc(c(c1)C(=O)O)C(F)F,0.4828905463218689
O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.15195105969905853
CCNN=NCC,0.3111208975315094
COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.5504043698310852
COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.5469566583633423
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.3041209578514099
OC(=O)c1ccccc1O,0.40236854553222656
[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.8429366946220398
CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.5371256470680237
Nc1ccc2c(c1)scn2,0.7878212928771973
[O-][N+](=O)c1scc(c1)C(=O)N,0.5452861189842224
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.5458872318267822
O=NN(C(=O)N)CCC(=O)O,0.4906765818595886
CCOC(=O)NNc1nncc2c1cccc2.Cl,0.4087003767490387
CCCOS(=O)(=O)C,0.2812560796737671
OC1C=Cc2c(C1O)nccc2,0.4243893623352051
OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7329975366592407
BrCc1ccc(cc1)Br,0.5958810448646545
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.685455858707428
Oc1nc2c(o1)cccc2,0.36213216185569763
OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.7699114084243774
[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.5168501138687134
O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6680192351341248
CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.4510843753814697
CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.224252849817276
OCCCCN(N=O)CC,0.5450498461723328
CCCCO,0.28433942794799805
Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.6107583045959473
CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.4488085210323334
O=C/C(=C/c1ccccc1)/C,0.4910818636417389
C1CCCC1,0.551272988319397
CN(CCN(c1ccccc1)Cc1ccccc1)C,0.5041817426681519
[O-][N+](=O)c1ccccc1c1ccccc1,0.7516888380050659
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.5396420359611511
C=CC(=O)OCC(C)(C)C,0.2349354475736618
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.4502275586128235
COc1cc(ccc1OC)C[C@H]1CO1,0.49007242918014526
Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.6957818269729614
ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.859998881816864
[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.685813307762146
CCCC/C=C/C=O,0.4735318124294281
CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.4595910608768463
[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.7110716104507446
Cc1ccc(cc1)C[C@@H]1OC1,0.5372098088264465
CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.29417791962623596
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.22899922728538513
CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.1766980141401291
C=Cc1ccccc1C=C,0.4502255320549011
COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.5737431049346924
CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.22234240174293518
[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.3141377568244934
Nc1ccc(cc1)Cl,0.5262740254402161
Oc1nnc(c(n1)O)C,0.18720950186252594
Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.5252237319946289
Clc1ccc2c(c1)cc1c(c2)cccc1,0.6349932551383972
OC/C(=C(/CO)\Br)/Br,0.547244668006897
[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.5747631788253784
FC(c1ccc(cc1)Cl)(F)F,0.5053118467330933
C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.630778968334198
Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.7799049615859985
CCOc1nc(NC(=O)N)nc(n1)NC,0.30378273129463196
NC(C(=O)O)CN=N#N,0.5562809109687805
Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.6943299770355225
CCCCCCCCCCCCS,0.10486207902431488
BrCC(c1ccccc1)Br,0.5722375512123108
C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.6342121362686157
Oc1cccc(c1)N(C)C,0.5291622877120972
OCC1CC1,0.45675450563430786
ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7033233046531677
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.4900128245353699
Cc1cc(N)c(cc1C)C,0.4838767647743225
CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.5983672142028809
Clc1ccc(c(c1)Cl)O,0.5330955386161804
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.7703611254692078
NNc1nncc2c1cncc2,0.7260791659355164
NCCNCCO,0.4722065329551697
O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.6276842951774597
OCC(=O)O,0.3801121115684509
NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.6061176061630249
CC(=O)c1cccn1[N+](=O)[O-],0.4457685351371765
[N-]=[N+]=CC(=O)NCC(=O)N,0.6078798174858093
CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4805370271205902
O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.3772749900817871
c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8701408505439758
CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.5881404280662537
Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.4906616806983948
OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.6910473108291626
COCC=O,0.4993758797645569
CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.5245611071586609
COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.560359001159668
Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.6221626996994019
NCCNC(=O)c1ccc(cn1)Cl,0.44733303785324097
COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.28047746419906616
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,0.5312272310256958
O=NN1CCO[C@H](C1)O,0.5748407244682312
COc1cc(OC)c(cc1C1OC1C)OC,0.5338959097862244
Cc1ccc(cc1NCC)O,0.49063175916671753
[O-][N+](=O)c1ccc2c(c1C)cccc2,0.8123241662979126
COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.31561559438705444
OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.2056773602962494
COC12OOC2(C)Oc2c1cccc2,0.44752711057662964
CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.5936241149902344
N/N=c/1\sc2c(n1C)cccc2,0.5749260783195496
NNc1ccccc1[N+](=O)[O-],0.6745127439498901
COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.591171383857727
OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.5940876007080078
CC(OC(Cl)(C)C)(Cl)C,0.16283734142780304
C=CCC[C@H]1CO1,0.5207269191741943
COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.4019696116447449
C[n+]1cccc(c1)OC(=O)N(C)C,0.2992084324359894
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.16812603175640106
CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7125860452651978
CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.5114360451698303
O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.37178632616996765
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,0.49726834893226624
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.2966454327106476
COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.5697048902511597
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.47602495551109314
OCCNC(=O)[C@H](O)C,0.4234495759010315
O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.54902184009552
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.8020076751708984
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8760759234428406
OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.5545488595962524
Oc1ccc(cc1O)C(C)(C)C,0.43141141533851624
CCCCCCOC[C@H]1CO1,0.3766724467277527
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.4722951054573059
OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.4857758581638336
CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.4213898181915283
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.3281916081905365
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,0.3968725800514221
CCCCOC(=O)/C=C\C(=O)OCCCC,0.47844260931015015
BrC(C1=C(Br)C(=O)OC1)Br,0.49554643034935
c1ccc2c(c1)cncc2,0.6445072293281555
O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6106840372085571
c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.7928786277770996
OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.6747537851333618
COC1OC1(C)C,0.4049602448940277
Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.47794589400291443
N1C2C1c1cscc1-c1c2csc1,0.7619022130966187
CCCCOCCCC,0.3188602328300476
O=C1C=CC(=O)N1,0.4461163878440857
Clc1cccc2c1cccc2,0.6049948930740356
CNc1ccccc1N,0.6211715936660767
C[N+](CC1OC1)(C)C,0.2707426846027374
CCC/N=N/O.[K+],0.25316962599754333
OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.5958256125450134
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.38524311780929565
ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.766102135181427
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.6857441663742065
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.3086438775062561
CCNCC,0.46682363748550415
O=NN(C(=O)O/N=C(\SC)/C)C,0.5312854647636414
ClC/C=C/CCl,0.6040164232254028
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.5134895443916321
CCCCCCCCOC(=O)C(=C)C,0.1472516804933548
O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.4384775757789612
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.48102203011512756
OCCCCN(N=O)C,0.5809640288352966
CCN(c1ccccc1)N=O,0.7369011640548706
ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8358510136604309
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,0.5648475289344788
S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7559497356414795
Nc1ccc2c(c1)c1ccccc1[nH]2,0.7871519327163696
ON1CN(Cl)CN(C1)Cl.[K+],0.4875269830226898
N#CC(=C(C#N)C#N)C#N,0.30762431025505066
Clc1c(Cl)cccc1Cl,0.4144154489040375
O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.5864713788032532
OC(=O)c1occc(=O)c1O,0.4418959617614746
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.5502496957778931
[O-][n+]1ncc2c(c1)cccc2,0.6886262893676758
Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5481386184692383
[O-][N+](=O)C1CCCC1,0.6199905872344971
[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.5066498517990112
CC(=O)OCc1ccc2c(c1)OCO2,0.5212421417236328
COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.48863863945007324
OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3N(CC2)CC=C1)CC)[C@]1(C[C@H]2CN(CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,0.5370606184005737
CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.5577417612075806
CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.6708678007125854
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,0.5176178812980652
ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.6266649961471558
O=NN1CCCC1,0.6749359965324402
CN(c1nc(C)c(c(n1)O)C)C,0.2897935211658478
CCCC(=O)O,0.12623420357704163
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,0.4098174571990967
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.48582714796066284
C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.6194860339164734
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.8418625593185425
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,0.40583810210227966
[S-]C(=S)NC.[Na+],0.46430978178977966
Clc1cc2ccccc2c2c1cccc2,0.6907548308372498
Cc1nc(N)nc(n1)N,0.2761767506599426
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.5679203271865845
CC(=O)Nc1ccccc1C,0.4104096293449402
OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.34019914269447327
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,0.5880602598190308
CCNc1nc(O)nc(n1)NC(C)(C)C,0.3330203890800476
NC(=S)N,0.4684862494468689
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.19720110297203064
ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.5272068977355957
CCCC[C@H](CO)CC,0.3347131609916687
O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.5189653635025024
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.671021580696106
N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.42553144693374634
CC(C(C)C)C,0.2303088903427124
Clc1nnc(c2c1cccc2)Cl,0.48846524953842163
c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6730349063873291
OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.23577480018138885
ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.8503206372261047
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.5430608987808228
[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.709795355796814
Cc1cc(ccc1N)c1ccccc1C,0.618740439414978
O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.46580377221107483
Oc1[nH]cnc2-c1cnn2,0.3477093577384949
Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.6418986320495605
[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.6432756185531616
Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.34240880608558655
Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.6484017372131348
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.48617300391197205
ClN1C2C1c1ccccc1-c1c2cccc1,0.7484256625175476
CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.33694010972976685
c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.55599045753479
COc1ccc(c(c1)O)C(=O)c1ccccc1,0.5451818704605103
COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.5779092311859131
[O-][N+](=O)c1cncn1C,0.5343681573867798
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9502531886100769
NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.5750433206558228
CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.19297729432582855
O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.6105948686599731
C=CCOC[C@H]1CO1,0.5008965730667114
O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.42857876420021057
COS(=O)(=O)C(F)(F)F,0.5159640908241272
COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.548902153968811
Cc1ccc(c(c1)O)C(C)C,0.3754231929779053
c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.7780241966247559
CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.14367088675498962
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.6016023755073547
O1C2C1C1N=NC2C2C1O2,0.7319811582565308
CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.45136475563049316
ClCCN(P(=O)(O)N)CCCl,0.6127398014068604
CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.31511932611465454
Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.6897329092025757
COc1nsc2c1cccc2OCC1CO1,0.5652529001235962
O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.7314265370368958
NS(=O)(=O)c1ncn[nH]1,0.4760313928127289
CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.4210568964481354
Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.5318485498428345
NCCS,0.3937540054321289
COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.6484023332595825
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.12564241886138916
Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.609354555606842
Fc1ccnc2c1cccc2,0.512285590171814
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.27234768867492676
CCCCCCOC(=O)C=C,0.20979516208171844
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,0.4632241725921631
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.6265889406204224
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)OC3,0.5333777666091919
O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.7005710601806641
[O-][N+](=O)c1nccn1C,0.534707248210907
COC(=O)N,0.3903973698616028
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.4948568344116211
CCOC(=O)c1cccc2c1nccc2,0.4917113184928894
Cc1cc(cc(c1)C)[N+](=O)[O-],0.5534825325012207
O=NN1CCN(CC1)N=O,0.7553578019142151
Oc1cccc2c1ccc1c2ccc2c1cccc2,0.6618090867996216
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+],0.5201224088668823
CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.4798129200935364
BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.5578986406326294
O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.5584794878959656
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5911077857017517
O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.5182732343673706
O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.5830167531967163
O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.6261090636253357
CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.4642074704170227
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.5750514268875122
Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.7386458516120911
Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.6040917634963989
CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.5452259182929993
CCOc1ccc(cc1N)NC(=O)C,0.4746522009372711
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,0.5593438148498535
CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.4194561839103699
CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.5369758605957031
CCOc1cccc(c1)[N+](=O)[O-],0.6236332058906555
OC(=O)CC[C@@H](C(=O)O)N,0.3446691930294037
C1CC2CCc3c(C42C(C1)O4)cccc3,0.6696654558181763
CCON(C(=O)c1ccccc1)OC(=O)C,0.4469982981681824
Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8050330877304077
CCCCCNCCCCC,0.36339133977890015
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.5128903388977051
C1OCCO1,0.47561758756637573
ClCC(=O)N(c1snc2c1cccc2)C,0.6904797554016113
CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.45065784454345703
CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.41168412566185
CCCCN(CCC(=O)O)N=O,0.35010796785354614
NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.509059488773346
CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.15701694786548615
O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.18942949175834656
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,0.5679444670677185
BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.5240307450294495
O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.561697781085968
OCCCCCl,0.5451154708862305
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.5069190263748169
Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.6853321194648743
CC(=O)Nc1cccc2c1ncc(c2)F,0.3954068720340729
CCCCN(CC(=O)CC)N=O,0.5756198763847351
Oc1ccc(cc1)C(c1ccccc1)(C)C,0.4787805676460266
[O-][n+]1c2ccccc2nc2c1cccc2,0.8485996127128601
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.33266475796699524
CCNc1nc(NC(C)C)nc(n1)Cl,0.22317032516002655
Cc1cc(N)cc(c1)N,0.46865925192832947
[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.7334443926811218
COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6409438252449036
C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.4320905804634094
COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.6484023332595825
COc1c2ccc(=O)oc2cc2c1cco2,0.5964003801345825
ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.5412925481796265
Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7063348293304443
O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.5613738298416138
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.7881332039833069
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.73651522397995
O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.4667273461818695
O=CN(c1ccc2c(c1)cccc2)O,0.676024854183197
CC(=C)c1ccccc1,0.28698500990867615
C/C=C/C=C/C=O,0.5176451206207275
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9004634618759155
[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.8644552230834961
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.1374192237854004
CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.3925163447856903
Oc1ccccc1,0.3958774507045746
OCc1ccc(cc1)C(F)(F)F,0.570846676826477
CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.5601748824119568
COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.5489915609359741
BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.42498570680618286
Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.24816158413887024
C[n+]1c2ccccc2c(c2c1cccc2)N,0.7453692555427551
CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.5219510793685913
O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.4587855339050293
OC1CCN(CC1)N=O,0.6261560320854187
ONc1nc2[nH]c3c(c2cc1C)cccc3,0.630722165107727
OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7080653309822083
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.33300891518592834
CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.574177622795105
CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.3393239974975586
Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.7073952555656433
O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7027469873428345
COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.5815839171409607
N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5772606134414673
OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.47388267517089844
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.8132345080375671
CN1COCN(C1=N)Cc1cnc(s1)Cl,0.31390494108200073
c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.7276184558868408
COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.38352006673812866
ClC(=O)Cc1ccccc1,0.5083913207054138
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+],0.5423895120620728
Clc1ccc(cc1)C(=O)Cl,0.5071192979812622
OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.466624915599823
O=C(Nc1ccc(cc1)O)CC(=O)C,0.39187997579574585
[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.8251015543937683
COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.4046460688114166
Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.6751899719238281
[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.43080344796180725
OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.34992197155952454
C=CC(=O)NCCCN(C)C,0.3677073121070862
CCOc1cccc2c1nccc2,0.5396497845649719
COC[C@H]1CO1,0.372302770614624
OCCC(CCC=C(C)C)C,0.4381621479988098
OCCN1CCNCC1,0.48934975266456604
O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.31992268562316895
CC(S)C,0.13995665311813354
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.4627368450164795
COc1cc(cc(c1O)OC)C(=O)C,0.4910198152065277
SCC(C(=O)O)NC(=O)C(S)(C)C,0.1392747163772583
NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.44389352202415466
CCCCCC(=O)O,0.14543280005455017
ONc1ccc(cc1)Oc1ccccc1,0.5751314163208008
CCSC(=O)Cl,0.4032188951969147
c1ccc(cc1)c1ccc(cc1)CC1CO1,0.5626064538955688
CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.5416978597640991
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.19069376587867737
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,0.511707067489624
CNc1ccc2c(c1N)cccn2,0.7067998647689819
CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.5586891174316406
CC(CC(C)(C)C)(CC(C)(C)C)S,0.11683966219425201
Oc1ccc(nn1)O,0.18950937688350677
OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.49817022681236267
Oc1ccc2c(c1)nc([nH]2)N,0.5100327730178833
CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.08869298547506332
CCCCN(CCCCO)N=O,0.5228472948074341
OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.5780606865882874
Oc1ccc(c2c1cccc2)O,0.5325301885604858
OCCN(C(C)(C)C)CCO,0.38745179772377014
COc1c2cc(OC)ccc2nc2c1cco2,0.5940534472465515
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.8400969505310059
c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.7559496760368347
CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.45860281586647034
CC(=O)C(=C)C,0.39645975828170776
CN(C#N)N=O,0.5895794630050659
COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.44689545035362244
C[C@]1(OC1)c1ccccc1,0.5547318458557129
C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.5594316720962524
O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.5690466165542603
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,0.5507143139839172
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.45424237847328186
CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.21280261874198914
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.4228760302066803
CNP(=O)(N(C)C)N(C)C,0.5194835066795349
C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.3620140254497528
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8421017527580261
Nc1ccc2c(c1)cns2,0.6260665059089661
OC(=O)c1ccc(c2c1snn2)O,0.3755939304828644
COc1ccc(cc1N)C,0.5439288020133972
Clc1ccccc1S(=O)(=O)N,0.5181277394294739
C=Cc1ccc(cc1)N,0.5376933813095093
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,0.26848044991493225
OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.6223743557929993
O=Nc1c(O)ccc2c1cccc2,0.58283931016922
C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.6425462365150452
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.6014829874038696
Nc1cccc2c1cccc2,0.6822424530982971
O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.682170033454895
Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.5376312136650085
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,0.5553594827651978
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.30677491426467896
C=COc1ccc(cc1)[N+](=O)[O-],0.6008706092834473
O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.5458146333694458
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]4O1,0.5843673944473267
c1ccc2-c3c(Cc2c1)cccc3,0.6908046007156372
CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.7081369757652283
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.3394063115119934
ClCCNc1ccc(cc1)C,0.5961430072784424
ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8234786987304688
Nc1nc2c(n1C)ccc1c2nccc1,0.6999653577804565
OCCCCl,0.5229772329330444
OCC(=O)CO,0.5244778990745544
ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.37157735228538513
Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.3986114263534546
OCc1ccc(cc1)C#N,0.574602484703064
OC(=O)C1OC1C(=O)O,0.36599698662757874
CCCCCCCCCCCC(=O)C,0.15251466631889343
Nc1sc2c(n1)c(Cl)ccc2,0.657917857170105
SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.1392747163772583
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,0.5345558524131775
COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.5430009961128235
Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.42013105750083923
Cc1ccccc1N,0.5140429735183716
OCC(=O)Nc1c(CC)cccc1CC,0.38392943143844604
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.20626100897789001
Nc1ccc(cc1)Br,0.5600787401199341
O=C=NC1CCCCC1,0.5396414995193481
O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8119624853134155
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.1585293710231781
BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.4884966015815735
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.5127075910568237
O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9310870170593262
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.18356826901435852
NC1=N[C@@H](CS1)C(=O)O,0.3587833046913147
Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.5886289477348328
Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.6284929513931274
O/N=C/C1N(CCN(C)C)C=CN1C,0.6201339960098267
c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.7201244235038757
OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.5845392346382141
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,0.33066511154174805
O=CCCCC=O,0.49470987915992737
Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6826106309890747
CCCCCCCCC=C,0.2844619154930115
NC[C@H](N)C,0.39919328689575195
NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.49844545125961304
COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.5604966878890991
CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.4028905928134918
c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.7753506898880005
Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.680267870426178
BrC(=C)C(=O)O,0.22579117119312286
OC(=O)CC[C@@H](C(=O)O)N.[K+],0.3446691930294037
Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.5881211161613464
CN[C@@H]([C@H](c1ccccc1)O)C,0.5110839605331421
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.4605681300163269
NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.5515077114105225
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,0.4134235978126526
BrC(C1=C(Cl)C(=O)OC1O)Br,0.5395759344100952
CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.6060715317726135
NC(=O)CNC(=O)C=N#N,0.6344825625419617
CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.4582369327545166
CC(CCOC(=O)/C=C\c1ccccc1)C,0.21543748676776886
O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.5463774800300598
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.5864392518997192
Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.5356900095939636
CC(OC1OC(=O)C(=C1Cl)Cl)C,0.3661471903324127
BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7870107293128967
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.3940364718437195
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.55146324634552
[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8389145731925964
O=c1[nH][nH]c2c1cccc2,0.559330403804779
Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.45853152871131897
OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.47910231351852417
OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7027469873428345
C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.37281516194343567
ONc1cc[n+](c2c1cccc2)[O-],0.6591268181800842
CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.546898365020752
Nc1ccc2c(c1)nc1c(c2)cccc1,0.7165667414665222
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.5553693771362305
OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.5248731374740601
Br[C@H](CBr)COC(=O)C=C,0.4016639292240143
COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.44120901823043823
CSCCC(C(=O)O)N,0.3212849795818329
Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5454630851745605
N#CCCC#N,0.16864094138145447
CC(OS(=O)(=O)C)C,0.3707571029663086
Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.615821123123169
CCOC(=O)C(CS)N,0.3703742027282715
CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.47228527069091797
Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5536662340164185
CNC=O,0.5044726133346558
OC1C(O)C=Cc2c1cccn2,0.4709405303001404
c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.7645469903945923