path: root/crossvalidations/tensorflow/pred.lr.v4_ext.csv

name,pred
O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.1912190020084381
O=S1(=O)CC=CC1,0.2732633352279663
[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9785264730453491
[O-][N+](=O)c1c(O)ccc2c1cccc2,0.7197576761245728
C1CCCC2C(CC1)O2,0.1560821384191513
[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9044828414916992
N#[N+]c1nc[nH]c1C(=O)N,0.4945134222507477
c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.8687348365783691
NC(=O)Nc1cccc2c1nccc2,0.694683849811554
C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.7346611022949219
O=C(C1(C)OC1)NCc1ccccc1,0.8686090707778931
C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.027772773057222366
OC1C2OC2c2c(C1O)ccc1c2nccc1,0.684148907661438
CCCCCOc1ccc(cc1)N=O,0.5939083099365234
Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.846271812915802
NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.8403151631355286
O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.8583015203475952
C=CC(=O)OCCCCOC(=O)C=C,0.03507483750581741
N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.2066553831100464
CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9911779165267944
Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9984065294265747
OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.20851778984069824
COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.4969094395637512
NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.23749127984046936
c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.8388846516609192
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,0.15814033150672913
OC(=O)[C@@H](CCl)Cl,0.08256350457668304
N#Cc1ccc2c(c1)nc(n2C)N,0.9475515484809875
Cc1c(C)cccc1N,0.6724556088447571
Nc1cccc2c1cccc2,0.7374440431594849
c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7986949682235718
O=CCCN(C(=O)OCC)N=O,0.9249623417854309
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8422428369522095
CCN1CCNC(=O)C1=O,0.33014509081840515
CC1=NNC(=O)N(C1)N,0.10857057571411133
Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9838574528694153
[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.9970194101333618
O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9998029470443726
BrCc1cccc(c1)[N+](=O)[O-],0.7069629430770874
COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.08630487322807312
Brc1cc2cccnc2c(c1)C(=O)O,0.038812343031167984
N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.1406911015510559
c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.949959933757782
CCOC(=O)CCl,0.08357317745685577
Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.9420788884162903
CN=[N+](C)[O-],0.03464261814951897
Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.11334198713302612
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.7584474682807922
N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.07564471662044525
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.932834267616272
O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.046707600355148315
OC(=O)c1ccc(cc1)[N+](=O)[O-],0.4771422743797302
OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.17509981989860535
ClC(Cl)(Cl)Cl,0.3645213842391968
O=CCC(c1ccc(cc1)C(C)(C)C)C,0.012645632028579712
[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0.11597143113613129
Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.8733546137809753
ClC/C=C/CCl,0.770107626914978
Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.7520425915718079
[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.20531165599822998
O1CCOCC1,0.33636027574539185
O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.008935538120567799
Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9490898847579956
COc1nc(C)nc(n1)N,0.02229599468410015
COC(C(Cl)Cl)(F)F,0.19135776162147522
O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.7236039042472839
Cc1ccc(c(c1)O)N,0.4902210831642151
CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.05297362804412842
CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.04588581621646881
CCCC(=O)c1cc(O)c(cc1O)O,0.20113208889961243
CCCCCCC[C@@H]1CCC(=O)O1,0.0259090568870306
ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.29400715231895447
ONc1nc2c(n1C)ccc1c2cccn1,0.9886437654495239
Oc1nnc(c(n1)O)C,0.36168667674064636
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.008539356291294098
CC(=O)OO,0.4360632002353668
CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.5022995471954346
CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.10757794231176376
Cc1ccc(cc1)C[C@@H]1OC1,0.9531259536743164
Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.6967126131057739
CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.043613407760858536
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.05228022485971451
CC1=CC(=O)c2c(C1=O)cccc2O,0.8700309991836548
O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9254819750785828
NC1=N[C@@H](CS1)C(=O)O,0.1969844251871109
c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.2059832066297531
O1C[C@@H]1COc1ccccc1,0.9434351921081543
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.18544821441173553
NCCCN1CCN(CC1)CCCN,0.21642296016216278
SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.09254123270511627
C[N+](Cc1ccccc1)(C)C.Cl,0.042549699544906616
CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.006198913790285587
O=NN1CC(=O)NC1=O,0.8821528553962708
CNC=O,0.2771508991718292
Nc1nc2c(n1C)ccc1c2ccnc1,0.9143087267875671
CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.4325057864189148
CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.5019334554672241
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.007942999713122845
[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.011015635915100574
C=CCN(CC=C)CC=C,0.09050144255161285
O=C1C=C/C(=N/C(=O)C)/C=C1,0.06526539474725723
O=C/C=C(/CCC=C(C)C)\C,0.07163303345441818
CCCCCCCCCCCCS,0.0767582505941391
CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9955166578292847
[O-][N+](=O)c1cccc(c1N)O,0.754288375377655
OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.5173863768577576
OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.001079900423064828
[O-][N+](=O)c1nccn1C[C@H](COC)O,0.9793033599853516
CCC=O,0.1754845231771469
C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.021532736718654633
CCCCCCCCCC,0.07010937482118607
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.957075297832489
CCc1ccccc1,0.19435767829418182
[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9673171043395996
BrCC(=O)Nc1ccccc1,0.20086118578910828
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.01082148589193821
CNCCCC(=O)O,0.01779143139719963
CC(=O)[C@H](O)C,0.22202634811401367
N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9871845245361328
CC(OC[C@@H]1OC1)(C)C,0.9722951054573059
CCCCC=C,0.1386900395154953
CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.11653600633144379
COC(CC(=O)C)(C)C,0.12782689929008484
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.9969711303710938
C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.7307928800582886
OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.02493038773536682
CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.7721558809280396
Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9958196878433228
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.9736508131027222
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.8431527018547058
CCN(N=O)C=O,0.9219152331352234
Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.0013901602942496538
O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5143679976463318
CC(=O)c1ccc[nH]1,0.1087474673986435
NC(=O)c1ccccc1C,0.1310846507549286
COc1nsc2c1cc(N)cc2,0.9333196878433228
Cc1ccccc1Br,0.06723789870738983
C1CCCN1,0.363004207611084
CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.062183819711208344
O=NN(C(=O)N)CC(=O)O,0.9747352600097656
Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.8578445315361023
Brc1ccccc1,0.05682290345430374
O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.10664363950490952
Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9735113382339478
Cc1cc(C)c2c(c1)ccc1c2cccc1,0.7572947144508362
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.9886237382888794
CCCOO,0.7686347961425781
CC1(CO1)C1CO1,0.9356862306594849
[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.5392971038818359
Ic1cc2cccnc2c(c1)C(=O)O,0.11863751709461212
CONC(=O)Nc1ccc(cc1)Br,0.10346350818872452
CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.003814129624515772
N#Cc1ccc(cc1)[N+](=O)[O-],0.7662696242332458
Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9649604558944702
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,0.0747504010796547
OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.0053701577708125114
c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.8822171092033386
COC(=O)CCC(=O)OC,0.1857912391424179
CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.3232654929161072
C[C@@H]1CC[C@H](CC1)C(C)C,0.14005622267723083
CCCN(N=O)CCC,0.9769218564033508
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.5252031683921814
Fc1ccc2c(n1)cccc2,0.6675341725349426
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,0.7717722058296204
OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9893274307250977
[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.6864913702011108
Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.9983514547348022
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,0.015798043459653854
N#C/C(=C(/C#N)\N)/N,0.35657086968421936
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,0.0001324850891251117
[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.6668065190315247
COc1cc(Cl)c(cc1Cl)OC,0.0984790250658989
OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.022413447499275208
Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.934118390083313
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9896971583366394
[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.9908586740493774
ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.999118447303772
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.04736906662583351
Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9104568362236023
OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.05937005206942558
O/N=C/1\C=C/C(=N/O)/C=C1,0.5858591794967651
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.3250827193260193
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.9728479385375977
ClCC[N+](C)(C)C,0.18406891822814941
Clc1ccc2c(c1)cc1c(c2)cccc1,0.5729506015777588
Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.993536114692688
Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9598972201347351
C1CC=C2C(C1)CCc1c2cccc1,0.6367400884628296
COc1cc(CNC(=O)C(Br)C)ccc1O,0.9813060760498047
ClCc1ccccn1,0.140726238489151
ClCC(=C)Br,0.8266097903251648
OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.15396085381507874
COCCOCCOCCOC,0.32614248991012573
c1ccc2c(c1)c(OCC1CO1)ns2,0.9949519038200378
Brc1ccc(cc1)[N+](=O)[O-],0.42339444160461426
Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.878043532371521
Oc1ccc(cc1N)S(=O)(=O)O,0.03347140550613403
CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.0014597431290894747
O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.99846351146698
C1CCC2(CO1)CO2,0.5406892895698547
CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.03440441936254501
O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.20028872787952423
OC/C=C/Cl,0.6231803297996521
O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.5566368103027344
CCCCCCCCCCSCn1cc[n+](c1)C,0.7373093962669373
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.3541600704193115
CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.08218066394329071
NC(C(=O)OC(C)(C)C)CN=N#N,0.9871397018432617
N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9785407781600952
CCCCCCCCCCCC=C,0.06036311388015747
OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8904752731323242
Cc1ccc(cc1)N(C(=O)C)O,0.7722641825675964
CC(=O)n1cncc1,0.17124682664871216
Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9745505452156067
C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.9057793617248535
OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7408409714698792
CNNCc1ccc(cc1)C(=O)NC(C)C,0.04890001192688942
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.17988058924674988
[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6570421457290649
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.2276037037372589
ICC[C@@H]1OC[C@H](O1)CO,0.928240180015564
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9495335817337036
N#CC(=C(C#N)C#N)C#N,0.5558952689170837
CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.5123090147972107
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9968584775924683
O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9731467366218567
CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9966983795166016
O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.9380961656570435
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,0.29866066575050354
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.003773630829527974
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.5642303228378296
Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12077826261520386
ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9808708429336548
CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.41372424364089966
Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8850986361503601
Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9759793281555176
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.968826949596405
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8008699417114258
OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.9871257543563843
OC(=O)c1cccc2c1snn2,0.023567143827676773
O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.017979394644498825
NC(=O)NNC(=O)N,0.8554593920707703
Nc1ccc2c(-c3ccccc3C2)c1,0.9503974914550781
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.8720995187759399
CCOc1ccc2c(c1)sc(n2)N,0.6326385736465454
[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.8111597895622253
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.9940904378890991
CN1CN(C)CSC1=S,0.055835891515016556
O=Nc1ccc(cc1)Nc1ccccc1,0.8107051849365234
[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.34193524718284607
ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9257203340530396
OC(=O)c1ccc(c2c1snn2)O,0.06013474613428116
COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.004710640758275986
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.10905633121728897
CCc1cnccn1,0.035033274441957474
BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9641828536987305
NCC1(C)CC(N)CC(C1)(C)C,0.03134036809206009
OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.6164249777793884
ClCCCC(=O)N(c1snc2c1cccc2)C,0.10841941833496094
CCCCCCCCCCCC(=O)N(CCO)CCO,0.025145158171653748
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.005334063433110714
OCCN1CCNCC1,0.17347314953804016
COC(=O)c1ccccc1C(=O)OC,0.20095260441303253
CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.03124808892607689
O[C@@H]1OC(=O)C(=C1Cl)Cl,0.9722231030464172
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8794835209846497
BrCCCCBr,0.8944604992866516
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,0.9797976613044739
O/N=C/C=N/O,0.29711824655532837
CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.14926055073738098
CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.7963162660598755
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.04879995808005333
CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.9619728326797485
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.05807850509881973
N#CCCC#N,0.2776440978050232
Nc1nc2-c3cccnc3CCc2s1,0.11845283210277557
[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.5014229416847229
CC(C(CCl)Br)Br,0.9255785942077637
C=CCOc1ccccc1OCC(CNC(C)C)O,0.015052775852382183
CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.009077529422938824
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,0.9735652804374695
CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.06123082712292671
COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.29650089144706726
ClCc1c2ccccc2c(c2c1cccc2)C,0.9080116152763367
CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.25750237703323364
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.0005902866832911968
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5611670613288879
ClC[Si](C=C)(C)C,0.4961331784725189
COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.6440489888191223
O=c1[nH]cc(cc1N)c1ccncc1,0.7456297874450684
CCNS(=O)(=O)c1ccccc1C,0.01655307039618492
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,0.18731684982776642
CSC(/C=N/O)(C)C,0.06334806978702545
Nc1cccc2c1nc1CCCCc1c2,0.8229821920394897
COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.15030118823051453
NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.9084059000015259
CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9682779312133789
COc1c2ccc(cc2nc2c1cco2)O,0.7853381037712097
CC(=O)Nc1ccnc2c1cccc2,0.29350751638412476
NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.26047056913375854
Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.9242900013923645
ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.870941162109375
OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0008304903167299926
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.004024147056043148
ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.26180562376976013
Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.9338897466659546
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.022303298115730286
C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.03824799880385399
CNS(=O)(=O)c1ccc(cc1)N,0.1598283350467682
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.008067039772868156
[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9784024357795715
Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.009169543161988258
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.9271222352981567
CC1=CC2CCCCC2c2c1cccc2,0.5706857442855835
Clc1cc2ccccc2c2c1cccc2,0.8198579549789429
OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.7961822152137756
C=CCc1ccc2c(c1)OCO2,0.300880491733551
CCc1cc(cc(c1N)CC)c1ccccc1,0.5695089101791382
[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9741311073303223
CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.004567084833979607
O=c1c2cccc3c2c2c1cccc2cc3,0.749843955039978
S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.8729763031005859
COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.0037848115898668766
O=CC[C@H](CCC=C(C)C)C,0.09208551049232483
ONc1cccc(c1)C,0.7101348638534546
c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.9706039428710938
OC1=C(O)C(=O)C1=O,0.21919861435890198
Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9003992080688477
Cc1ccc(cc1)CC1OC1,0.9531259536743164
OC(=O)C[C@@H](C(=O)O)Cl,0.06279168277978897
CNC(=O)Nc1cccc(c1)C(F)(F)F,0.04689700901508331
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.9884425401687622
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.014314730651676655
O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9966117143630981
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.027458932250738144
C1CCC2C(C1)CC1(CC2)CO1,0.05133863538503647
[O-][N+](=O)c1ccc2c(c1)CC=C2,0.8127013444900513
NCCCN,0.38101762533187866
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9495481252670288
O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.0014583973679691553
COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.013021336868405342
OCc1ccc(cc1)F,0.1735972911119461
FC(C(C(Cl)(F)F)(F)F)Cl,0.01031128503382206
O/N=C/C1N(CCCN(C)C)C=CN1C,0.03293979540467262
CC(c1ccc(cc1)C(C)(C)C)O,0.022611379623413086
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.0072673833929002285
Cc1cc(C)cc(c1)N,0.3827706277370453
O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.013821376487612724
Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9543999433517456
NC(=S)Nc1ccccc1,0.45381075143814087
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.9319823980331421
OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.918249249458313
CCc1ccccc1[N+](=O)[O-],0.37876468896865845
NC(=O)CNC(=O)C=N#N,0.8653078079223633
Cc1nccc2c1[nH]c1c2cccc1.Cl,0.6175270676612854
OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.30178073048591614
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.03821859136223793
OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.47330522537231445
COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.9814279675483704
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.10932739824056625
[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9991471171379089
CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.012713776901364326
N#CC(O)(C)C,0.09578593820333481
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.0035186372697353363
NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.22579726576805115
OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.022943153977394104
O=C1CCc2c1ccc1c2ccc2c1cccc2,0.9206430315971375
OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0.5941691398620605
COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7924183011054993
Clc1cccc2c1cccc2,0.4642910957336426
CCN=[N+](CC)[O-],0.02935154363512993
c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9206932187080383
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.3839748203754425
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.29880672693252563
[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.7982491254806519
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.0774691253900528
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.0014704241184517741
OCCc1c[nH]c2c1cccc2CC,0.21978788077831268
Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.4557039737701416
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.09809716045856476
Cc1cc(N)c(cc1N)C,0.5831378698348999
CC(=O)c1cccn1[N+](=O)[O-],0.5886644721031189
C[N+]1(C)CCOCC1,0.03208604454994202
OCC=C(CCC=C(C)C)C,0.014520448632538319
O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.11122594028711319
Oc1ccc(cc1)Cc1ccccc1O,0.10941145569086075
CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.831667423248291
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.018656693398952484
Nn1c2ccncc2c2c1cccc2,0.4925938546657562
CC(=N)S,0.3105471730232239
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.0001617971865925938
[O-][N+](=O)c1cccc2c1n[nH]c2,0.8078451156616211
OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7017124891281128
O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.159827321767807
C=CC(=O)NCNC(=O)C=C,0.38133159279823303
OCC[C@H](CCC=C(C)C)C,0.06501943618059158
Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.11796267330646515
Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.0023463896941393614
OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.02670435607433319
ClC(C1=C(Cl)C(=O)OC1)Cl,0.993634819984436
ClC/C(=C(\C(=O)O)/Cl)/C=O,0.828075110912323
Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.03871237486600876
OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9214442372322083
n1ccc(cc1)c1ccccn1,0.24402141571044922
CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.05459117144346237
N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.08601529151201248
Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.981631875038147
S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.942151665687561
Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.8564662933349609
O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.10946287959814072
O=CCCCC=O,0.10306154191493988
COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.9852541089057922
CC1CS1,0.11346535384654999
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,0.9888185262680054
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.015837443992495537
COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.0002251122350571677
OOC(c1ccccc1)(C)C,0.4831998348236084
COP(=S)(SCC(=O)N(C=O)C)OC,0.647602915763855
CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.11285600811243057
CC1OC(C)OC(OC(O1)C)C,0.39456090331077576
NCCS,0.47942274808883667
CCCCCCCC1CCC(=O)O1,0.0259090568870306
Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9848710894584656
CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.42055559158325195
C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.08081961423158646
O=C1CCCCCCCCCCCC(=O)OCCO1,0.20097926259040833
ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.6844242811203003
[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.5015621185302734
CC(OC(=O)CC(=O)OC(C)C)C,0.08866976201534271
COc1cccc2c1C1(C)OOC1(O2)C,0.7659119367599487
O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.00837539043277502
OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,0.21663960814476013
[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.997754693031311
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9865856170654297
COC=O,0.36180979013442993
CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.43050843477249146
ClC(=O)CCc1ccccc1,0.8720323443412781
CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.01784943789243698
ClCC=O,0.5109648108482361
NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9887661933898926
ClC(C(=O)O)Cl,0.4676748216152191
CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9948686361312866
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.664242148399353
CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.8068615198135376
Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12077826261520386
OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.11211074888706207
ClCC(CCl)Cl,0.8028580546379089
Clc1cc(Cl)c(c(c1)Cl)N,0.5516020059585571
c1ccc2c(c1)cnnc2,0.636229932308197
CN(/C=N/c1ccc(cc1C)Cl)C,0.02906106412410736
O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.9838734865188599
O=C1c2ccccc2-c2c1cccc2,0.5955082178115845
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.9884929656982422
O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9923114776611328
C([C@@H]1OC1)Cc1ccccc1,0.8561197519302368
Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.769223690032959
OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9606109857559204
ClCc1ccccc1,0.28464508056640625
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,0.9952837228775024
c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9229612350463867
O=c1c2ccccc2[nH]c2c1cccc2,0.734006941318512
CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.21633167564868927
ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9796153903007507
n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.9660452008247375
CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.40270742774009705
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.034075383096933365
Nc1nc2c(n1C)ccc1c2cccn1,0.9717297554016113
OCc1ccccc1,0.12716829776763916
ON1C(=O)CCC1=O,0.4433494210243225
[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.9399282336235046
[O-][N+](=O)/C=C/c1ccccc1,0.13265052437782288
[O-][N+](=O)c1ccc(o1)C(=O)OC,0.9915200471878052
Nc1ccc(cc1)O,0.6142251491546631
CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.9023850560188293
O=S1CCOC(=C1C(=O)N)C,0.5856166481971741
OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,0.11414743959903717
NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.7709338665008545
O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.007196291349828243
ClCC[N+](CCCl)(C)[O-].Cl,0.8264524340629578
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.909312903881073
OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.006657671183347702
OCC(C)C,0.09291531890630722
CC(=O)c1ccc(cc1)[N+](=O)[O-],0.7106368541717529
Clc1ccc(c(c1)N)Cl,0.6380316019058228
CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.004432314075529575
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.04435297101736069
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.9341233372688293
OCCNC(=O)C(O)C,0.5799452066421509
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9627341032028198
OCCOc1cc(Cl)c(cc1Cl)Cl,0.003951857797801495
COc1cc(N=Nc2ccccc2)ccc1N,0.9881089329719543
Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.2969411015510559
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.02365337312221527
Clc1ccccc1,0.1533239781856537
[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.7514777779579163
ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.9939713478088379
n1ccncc1,0.16691942512989044
CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.03471233695745468
ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.995782196521759
Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.7956253886222839
CC(CN(CC(C)C)CC(C)C)C,0.2041579782962799
OCC(C(C(C(C=O)O)O)O)O,0.4313738942146301
ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.6434724926948547
O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.7339281439781189
OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.003587920218706131
OCCC(CCC=C(C)C)C,0.06501943618059158
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.8237096071243286
C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.05190957710146904
CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.7724422216415405
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,0.9871259927749634
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.9801846742630005
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.014533485285937786
CCCCCCCCCCCCCl,0.11493970453739166
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.39541125297546387
CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.3427222967147827
[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9775944948196411
CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.28638792037963867
OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.9674386978149414
Cl/C=C(\C(Cl)Cl)/Cl,0.9527371525764465
NNc1scc(n1)c1ccc(cc1)N,0.9715356826782227
c1ccc(cc1)CN1CCN=N1,0.8243959546089172
BrCc1c2ccccc2cc2c1cccc2,0.9137088656425476
O=C1CC(=NN1c1ccccc1)C,0.14832834899425507
[O-][N+](=O)c1ccc(o1)c1cscn1,0.9964240193367004
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.018691305071115494
ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9996880292892456
O=CC(C)C,0.1434367448091507
Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6334227323532104
Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9712475538253784
N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.007893797941505909
O=C(C(Br)(C)C)NCc1ccccc1,0.08051200211048126
OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.016851084306836128
O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8819670677185059
Cc1c(C)cccc1O,0.20116543769836426
NC(C(=O)O)CSC(=O)NCCCl,0.8637603521347046
CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.2576470673084259
SCC(C(=O)O)NC(=O)C(SC)(C)C,0.06969569623470306
CCCCN(CC(=O)CC)N=O,0.9004246592521667
OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.029023194685578346
CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.011556205339729786
Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9151946306228638
NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9708502888679504
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7213338613510132
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.67609703540802
Cc1ccc(cc1)N=NN(C)C,0.8812677264213562
OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.0012635367456823587
Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.6358350515365601
Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9901626706123352
c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.694700300693512
ClCN1C(=O)c2c(C1=O)cccc2,0.5583764910697937
c1ccc(nc1)c1cccnc1,0.18998610973358154
NC(=O)c1c(Cl)cccc1Cl,0.19816148281097412
O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.8712055087089539
CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9786534309387207
CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.8912251591682434
Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8327614665031433
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,0.11309055984020233
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.0214709360152483
NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9955496788024902
Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.904646098613739
Clc1ccc2c(c1)nsc2N,0.8073413968086243
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.002220424124971032
CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.5466917157173157
O=C1C(O)CC(N1C)c1cccnc1,0.02218194305896759
OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.7304295301437378
BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.8648366928100586
CCCCN,0.1764204502105713
OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.023928537964820862
C/C=C\c1ccc(c(c1)OC)O,0.2056896686553955
OCCN(c1ccc2c(c1)cccc2)CCO,0.6180810332298279
S=c1ssc(c1C)c1cnccn1,0.15141446888446808
O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.49911460280418396
O=NN(CC(=O)C)COC(=O)C,0.9834488034248352
Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.13830454647541046
CN(NC(=O)CCC(=O)O)C,0.08454688638448715
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.0068593258038163185
OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.1295967847108841
Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.8518729209899902
COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.9683402180671692
O=c1ccc2c(o1)cc1c(c2)cco1,0.49871644377708435
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.7908033728599548
CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.25754037499427795
Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.3353669345378876
OCCc1ccc(cc1)N(C)C,0.6108168959617615
CN(CC(=O)O)C.Cl,0.03734542056918144
ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8879551887512207
CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8975351452827454
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,0.9852541089057922
Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.15963399410247803
Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.48643025755882263
CC(OC(=O)C)C,0.4256104528903961
CCOc1cccc2c1nccc2,0.5702595710754395
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9867148399353027
CCOC(=O)[C@@H](O)C,0.24358591437339783
ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.8606399297714233
NNC(=O)CNC(=O)C=N#N,0.9292922019958496
O=Cc1ccc(cc1)O,0.07412037998437881
OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.029636507853865623
Cc1c(N)cccc1Cl,0.6682997345924377
N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9982330203056335
COCC(=O)O,0.07276563346385956
CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.02704952284693718
CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9968169927597046
Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.8101221919059753
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.7314513921737671
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.014958880841732025
Nc1cc([N+](=O)[O-])c(cc1C)N,0.9811775088310242
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,0.013818140141665936
COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.7007330656051636
N1C2C1c1cscc1-c1c2csc1,0.958232045173645
CCCCN(CCCC(=O)O)N=O,0.9117320775985718
COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9317765235900879
CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.625677227973938
OCCN(C(=O)OCC)N=O,0.9788569211959839
C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.013670271262526512
Nc1nc(NC2CC2)nc(n1)N,0.12986166775226593
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.563315749168396
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.9776495099067688
ClCC(CBr)(Br)C,0.1922380030155182
Cc1ccccn1,0.11154066026210785
CCCN(C(=O)N)N=O,0.9898742437362671
CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.21649396419525146
OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.016922354698181152
ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.03184868022799492
Fc1ccnc2c1cccc2,0.826137900352478
NNC(=O)c1[nH]c2c(c1N)cccc2,0.6958430409431458
NC(=O)c1cnccn1,0.06983311474323273
FC(Oc1ccc(cc1)N)(F)F,0.5862935781478882
[O-][N+](=O)c1cccc(c1C)N,0.9352502822875977
OCC(CO)(C)C,0.18213924765586853
O=NN(CCCC(c1cccnc1)O)C,0.8621677160263062
CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9735209345817566
OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.8381406664848328
O=C1C=CC(=[N+]=[N-])C=C1,0.5795354843139648
Clc1cccnc1,0.012852935120463371
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.008389282040297985
O=NN1C[C@H](C)C(=O)NC1=O,0.8978410959243774
O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.0029946158174425364
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.03460782393813133
CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.8578394055366516
CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.7037660479545593
CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.903974175453186
[O-][N+](=O)c1ccccc1C(=O)N,0.6328659653663635
FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.31069308519363403
O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.009678224101662636
COP(=S)(OC)Cl,0.3710232675075531
ONc1cnc2c(c1C)nc1n2cccc1C,0.9476555585861206
OCC#N,0.27499905228614807
OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9945698976516724
CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.3645963668823242
NC(=S)c1c(Cl)cccc1Cl,0.13042005896568298
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.9335899353027344
OC1OC(=O)C(=C1Cl)Cl,0.9722231030464172
OCCN(C)C,0.29034703969955444
O=Nc1ccc(cc1)N(C)C,0.9620340466499329
OCc1cccc(c1)Oc1ccccc1,0.32453930377960205
CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9983400106430054
CN(CCN(c1ccccn1)Cc1cscc1)C,0.0031609279103577137
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9735606908798218
Nc1cccc(c1)N,0.881138801574707
Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.6903303265571594
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9301466941833496
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.007685055024921894
Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.9761861562728882
Oc1cnc2c(c1)cccc2,0.5488623380661011
CCCCCN,0.07873174548149109
Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.7828724980354309
COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.6798757910728455
CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.9322559237480164
O=CN(C)C,0.3269196152687073
C=CCc1ccc(c(c1)OC)OC,0.28636425733566284
O=NN(C(=N)N[N+](=O)[O-])C,0.9715954065322876
COc1cccc(c1C(=O)N)OC,0.30290478467941284
Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9861946105957031
NN(Cc1ccccc1)Cc1ccccc1,0.46287980675697327
Cc1ccc2c(c1)nn[nH]2,0.38310930132865906
c1ccc2c(c1)cc1c(c2)cccc1,0.6549988985061646
Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.866948127746582
c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8199102282524109
OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.5672109723091125
CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8358262777328491
OC(=O)c1cc(Cl)cc(c1)Cl,0.05643422156572342
Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9415140151977539
Nc1ccc(c(c1)Cl)C,0.4892636835575104
COc1ccccc1O,0.3748280704021454
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9890154600143433
Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.854432225227356
CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.01582242362201214
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.951147198677063
CCCCCCCCCc1ccc(cc1)O,0.03437907248735428
Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.004258292727172375
O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.979815661907196
NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.029471198096871376
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.08057043701410294
Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.317810595035553
Oc1cccc2c1nccc2,0.6209102869033813
Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.9099462628364563
Nc1ncnc2c1ncn2C,0.7293347120285034
Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.05004237964749336
[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8654946088790894
CC([N+](=O)[O-])(C)C,0.3599925637245178
Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9623954892158508
CC(=O)Nc1snc2c1cc(Cl)cc2,0.3539735674858093
OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.0038317616563290358
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.9392049908638
[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9916399717330933
Nc1cccc(c1)Cl,0.6056073307991028
Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.8971396684646606
Clc1ccc2c(c1)nc([nH]2)C,0.12666837871074677
c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9840306043624878
Oc1cc(Cl)c(cc1Cl)O,0.03076685033738613
O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.8911034464836121
Cc1cccs1,0.32623109221458435
Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.13813845813274384
CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.01947520300745964
O=NN1CCN([C@H](C1)C)N=O,0.9890432357788086
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.7616584897041321
OCc1ccc(cc1)Cl,0.08017923682928085
Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7936986088752747
CCCN=NC(OO)(C)C,0.73837810754776
CCN,0.38733527064323425
NC(=O)C=C,0.3644739091396332
CC(Br)Br,0.36774587631225586
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9546812176704407
CCP(=O)(OCC)OCC,0.20288415253162384
O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.9703305959701538
OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.0055099413730204105
[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.983411431312561
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.022048862650990486
CCC/C=C(/C=O)\CC,0.10573935508728027
Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.9800130128860474
COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.8965490460395813
COc1ccc(cc1)OC,0.513815701007843
ClCC(=O)CCl,0.4715461730957031
OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.004220315255224705
ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.9740548133850098
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9865856170654297
O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.6990512609481812
CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.522411584854126
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00020763033535331488
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.06317323446273804
[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.23061756789684296
CC(=O)CC(O)(C)C,0.05095254257321358
CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.9990987777709961
Oc1ccc2c(c1)cc[nH]2,0.47558069229125977
C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9890245199203491
CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.24643640220165253
BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.993371307849884
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.011096721515059471
OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.9460873603820801
C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.9929486513137817
CN(C#N)N=O,0.8670960664749146
NCCCN(C)C,0.2810574173927307
C[C@H]([C@H](O)C)O,0.14615800976753235
O=C1CCC(N1C)c1cccnc1,0.018711665645241737
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.035414405167102814
COc1ccc(c(c1)C(C)(C)C)O,0.030668511986732483
Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9816072583198547
C[C@H](CNC[C@H](O)C)O,0.20912806689739227
CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.0018021410796791315
C[N+](CC1OC1)(C)C,0.6077548861503601
Cc1nccc2c1[nH]c1c2cccc1,0.64543616771698
OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.07668761909008026
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.005055627319961786
OC(=O)CN(CC(=O)O)CC(=O)O,0.03593996912240982
[O-][N+](=O)OOC(=O)C,0.3334483504295349
O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.5458194017410278
IC(I)I,0.361482709646225
CCCO,0.08057373017072678
[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.9971391558647156
Clc1ccc(cc1)Br,0.03479107469320297
Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.981631875038147
C=Cc1ccccc1Cl,0.17738613486289978
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.03495374321937561
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,0.04052682965993881
Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.9414315223693848
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.46338415145874023
Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.0926860049366951
CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.9644224047660828
BrC(C#N)Br,0.2411707192659378
O=NN(c1ccccc1)c1ccccc1,0.7947763204574585
CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.9837247133255005
COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,0.03719053789973259
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.01102506835013628
O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9961928129196167
C[C@@H](ON=O)CC,0.7796528339385986
O=NN1CCC[C@@H]1c1cccnc1,0.9333389401435852
N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.8174731135368347
Nc1nc2c(n1C)ccc1c2cncc1,0.9259354472160339
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.2580958306789398
Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9396532773971558
ONc1cnc2c(c1)nc1n2cccc1,0.9583743810653687
Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6067386865615845
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.00047641960554756224
Nc1cc2ccccc2c2c1cccc2,0.9073190689086914
Nc1nc(N)nc(n1)Cl,0.03601018339395523
Fc1cccc2c1ccc1c2nccc1,0.7745782732963562
c1ccc2c(n1)cnnc2,0.4868709444999695
n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7659446597099304
O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.017542842775583267
[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9939935803413391
OC(=O)c1cccc(c1)C(F)(F)F,0.031676292419433594
CCOC[C@H]1CO1,0.8578230738639832
C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.1381584107875824
CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.5019334554672241
COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.8543878793716431
Clc1c(Cl)ccc(c1Cl)Cl,0.06861446052789688
NNc1nncc2c1nccc2,0.8459440469741821
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,0.38381654024124146
ClCC1=C(Cl)C(=O)OC1,0.986700713634491
N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9928889274597168
CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.9409751892089844
CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.8133339881896973
CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.953015923500061
COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0004127503780182451
O=CC(Cl)(Cl)Cl,0.554352879524231
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.17300336062908173
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.01324019767343998
Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9236895442008972
CCCCCN(CCCCO)N=O,0.8921364545822144
CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.008351556956768036
ClC(c1ccccc1)C(=O)Cl,0.9413169622421265
N#C/C=C/C#N,0.1879071295261383
O=Cc1ccccc1C,0.09619702398777008
OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.019858021289110184
OC(=O)C(Br)(Br)Br,0.1791769564151764
CCCN(c1snc2c1cccc2)C(=O)CCCl,0.46489691734313965
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,0.00989801250398159
ClCCN(CCCl)C,0.6478103399276733
CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.02463519759476185
CC(OS(=O)(=O)C)C,0.98210608959198
O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.8420999646186829
OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.12336798757314682
CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.7206617593765259
N#CCC[C@](C#N)(CBr)Br,0.5997509360313416
ClC([N+](=O)[O-])(Cl)Cl,0.52019202709198
C1CC[C@@]2(CO1)CO2,0.5277265310287476
CCCc1cc(O)nc(n1)S,0.0019813308026641607
Cc1ccncc1,0.09807159006595612
Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.7463014721870422
O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8821561932563782
COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9321498870849609
Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.9952691197395325
[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.35440707206726074
CC(=C)C(=O)O,0.11858246475458145
O=C=NC1CCCCC1,0.03318963199853897
Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9917917251586914
Cc1ccco1,0.04012144356966019
COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9673599004745483
CSSC,0.3572729229927063
O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.6515432596206665
COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.8948386907577515
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.0020908298902213573
ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.6997786164283752
C[C@H](COC[C@H](O)C)O,0.42678484320640564
Nc1ccc(c(c1)C)C,0.483130544424057
c1ccc2c(c1)nccn2,0.29436177015304565
NC(=O)c1ccccc1O,0.2811473608016968
Cc1cccc(c1N)C,0.42608651518821716
Oc1ccc(cc1)[N+](=O)[O-],0.7229794263839722
OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.057142652571201324
OC1C=CC2C(C1O)O2,0.5595215559005737
[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9548535346984863
C/C=C/c1cc(OC)ccc1OC,0.691713273525238
CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.008387715555727482
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8746433258056641
C=C=O,0.36221855878829956
CCCCCCNCCCCCC,0.0746409073472023
ClCc1cccc(c1)CCl,0.3893676996231079
ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,0.4784465730190277
OCc1c(CO)cnc(c1O)C,0.02442881464958191
Nc1ccc(c(c1)O)[N+](=O)[O-],0.6136828064918518
c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9960231781005859
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.64567631483078
OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.04695717990398407
OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.011199889704585075
O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8618426322937012
C=CCOC(=O)COCCC(C)C,0.028679316863417625
Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7621886134147644
Cc1c[nH]cn1,0.31721824407577515
COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.21857568621635437
CC1=CC[C@H]2C[C@@H]1C2(C)C,0.004047879483550787
Cc1cc(C)c(c(c1)C)C,0.25317463278770447
CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.9761897921562195
Nc1c(C)cccc1N,0.547386884689331
CC(=O)/C=C/c1ccc2c(c1)OCO2,0.4609735906124115
OC(=O)COc1ccc(cc1C)Cl,0.03951428085565567
C=COc1ccc(cc1)[N+](=O)[O-],0.8990187644958496
Nc1nc2c(n1C)c(C)cc1c2nccn1,0.8563051223754883
c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8517800569534302
CCNc1nc(O)nc(n1)NC(C)(C)C,0.003877547336742282
CCCCN(CC(=O)C)N=O,0.9244322776794434
ClC(=O)c1ccccc1,0.8697162866592407
CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.8074793815612793
Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.5802202224731445
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.006198943592607975
Cc1cc(C)cc(c1)O,0.14777247607707977
COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.4025149941444397
Nc1ccc(cc1)CCc1ccccc1,0.7709760069847107
CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.13560938835144043
COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.9926198124885559
O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.03208751603960991
OCCN(C(C)(C)C)CCO,0.39595040678977966
CC12OOC2(C)c2c(O1)cccc2,0.8362466096878052
Nc1ccc2c(n1)c1ccccc1cc2,0.8846620321273804
COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.9717143774032593
COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.25919198989868164
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7815515398979187
O=NN1CCCCCCC1,0.9777246713638306
O=C1C=CC(=O)C1(Cl)Cl,0.4452052712440491
OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.0018811918562278152
O=S1(=O)CCCCO1,0.9134093523025513
Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.8855840563774109
[N-]=[N+]=NC[C@H](C(=O)O)N,0.9452498555183411
ONc1ccc(cc1)C,0.8630670309066772
ClC(=C(Cl)Cl)Cl,0.4920605719089508
O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8415504693984985
OC(=O)Cc1cccc2c1cccc2,0.4669571816921234
C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.9245064854621887
C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.03286813944578171
[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.37717676162719727
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.5678312182426453
C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.01712075248360634
ONc1ccc(cc1)Cl,0.8518072366714478
CC(=O)Nc1ccc(cc1)C,0.3642144799232483
OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.9208663702011108
C1CCSCS1,0.29533374309539795
Cl/C=C(\SCc1ccccc1)/Cl,0.9294308423995972
Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.9833731651306152
[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9735223054885864
Fc1c(N)cc(c(c1Cl)F)Cl,0.383274644613266
[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9092798233032227
CC(=O)c1ccc2c(c1)cccc2,0.41283488273620605
COC(=O)c1csc(c1S(=O)(=O)N)C,0.03309903293848038
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.28933921456336975
COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.042477793991565704
COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.5270323753356934
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,0.08635662496089935
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.3199502229690552
CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.09629511833190918
CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.0048660095781087875
O=CCC(C)C,0.163863405585289
O=C([C@]1(C)OC1)NCc1ccccc1,0.9046894907951355
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.48308220505714417
Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.3559337854385376
COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.12190238386392593
CNC(=O)c1cccnc1S(=O)(=O)N,0.016379917040467262
c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8953331708908081
OC(=O)c1cccnc1,0.1216253787279129
N#N=NCC1OC(O)C(C(C1O)O)O,0.9622794985771179
Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.9737753868103027
CP1(C)NP(C)(C)NP(N1)(C)C,0.3602883517742157
Cc1cc(O)c(c(=O)o1)C(=O)C,0.20692653954029083
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.9943948984146118
O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.2441689521074295
Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6995665431022644
CCCCCC(=O)OCC,0.03019673191010952
[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9766430854797363
COC(C)(C)C,0.7257984280586243
O=C1NS(=O)(=O)Cc2c1cccc2,0.10050015151500702
OC(=O)C1OC1C(=O)O,0.09532679617404938
[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.11222770065069199
C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.20563118159770966
COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.7251318693161011
OCCCCCCCCCCCCCCCCCC(=O)O,0.027946626767516136
[O-][N+](=O)c1ccc(o1)CNCCO,0.888363242149353
OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.012563414871692657
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.11349759995937347
FC(C(Cl)(Cl)F)(Cl)Cl,0.3585468530654907
ONc1cccc(c1)c1ccccc1,0.9615071415901184
CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.9292410016059875
[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9228392839431763
N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9655214548110962
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.1836787611246109
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.00175571721047163
Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8492794036865234
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,0.9787376523017883
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.12822577357292175
BrCC(=C)Br,0.7915935516357422
C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.08368454873561859
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.9907341003417969
CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.17989443242549896
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.18510983884334564
n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8221394419670105
OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,0.055872637778520584
c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.3310314118862152
Nc1cccc2c1c(O)nnc2O,0.2331642210483551
Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.15576566755771637
CC(OC1OC(=O)C(=C1Cl)Cl)C,0.8357632756233215
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,0.06048237532377243
Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9468196630477905
O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.24447038769721985
FC(C(C(F)(F)F)F)F,0.028278077021241188
c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9190114140510559
O=Cc1ccc(cc1)C,0.05283070355653763
Nc1cccc2c1snc2,0.9132196307182312
Oc1ccnc(n1)O,0.10601458698511124
CN1COCN(C1=N)Cc1cnc(s1)Cl,0.015981948003172874
c1ccc2-c3c(Cc2c1)cccc3,0.6824477314949036
c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.14800383150577545
c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8338226079940796
Clc1ccc(cc1)[S@](=O)C,0.020890653133392334
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.5587841272354126
[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9467610120773315
CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.038276128470897675
OC[C@H](O)C,0.1917872428894043
OCC(C(C(C1SCCN1N=O)O)O)O,0.7550992965698242
Nc1[nH]cnc2-c1ncn2,0.5166038870811462
Clc1ccc(c(c1)Cl)C(=O)Cl,0.8178195953369141
OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.1235831007361412
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.030193623155355453
c1scc(n1)c1nc2c([nH]1)cccc2,0.8752819895744324
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.92530757188797
OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.5728096961975098
Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.43085646629333496
OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.6121584177017212
OCCN(C(=O)Nc1ccccc1)C,0.06338364630937576
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,0.00491951871663332
COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.026717472821474075
COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,0.08635662496089935
COC(=O)N,0.7171455025672913
O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.030030403286218643
CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.9279281497001648
CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.3058810234069824
N#CCCNCCC#N,0.14115199446678162
Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.7134146690368652
OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.10432889312505722
OC(=O)CC(=O)O,0.1626175343990326
Clc1ccncc1,0.1581040322780609
Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.08298520743846893
Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.2711106240749359
CCCN(C(=O)SCc1ccccc1)CCC,0.06260088086128235
OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.020788278430700302
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.3865211009979248
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.0055642323568463326
ON=C1CCCCC1,0.5151300430297852
OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.42737045884132385
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,0.9811800122261047
NC(C(=O)O)Cc1ncn[nH]1,0.046647172421216965
OCc1nc(N)nc(c1)C1CC1,0.0074902670457959175
Cc1cccc(c1)c1nc2c(o1)cccc2,0.04537097364664078
CCCCCCC(=O)OCC,0.03019673191010952
Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.44922518730163574
OCCCc1ccccc1,0.231124609708786
OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.018417930230498314
CCOS(=O)(=O)c1ccccc1,0.8228709101676941
BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9717629551887512
[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.13339418172836304
ClCc1ccccc1[N+](=O)[O-],0.4387539029121399
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.0011371595319360495
Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.871062159538269
CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.02993539348244667
CCCCB(CCCC)CCCC,0.13476023077964783
CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.9701068997383118
O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.4478510320186615
Cc1ccc2c(-c3ccccc3C2C)c1,0.8421209454536438
ICCc1ccccc1,0.5429306626319885
N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.005883636884391308
OCCC(C)C,0.13066765666007996
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,2.6350699044996873e-05
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,0.9034846425056458
OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,0.01734430156648159
Cn1sc(cc1=O)Cl,0.8344742655754089
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.0008653668919578195
S=C=S,0.3556916117668152
O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.9393428564071655
CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.8661209344863892
Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0.10882242023944855
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.007266214583069086
O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.09073131531476974
Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.9150553941726685
Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8452974557876587
ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.970990002155304
CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9980899095535278
CCCC=O,0.29957491159439087
Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.871062159538269
Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.9247468113899231
COc1cc(N)c(cc1N)OC,0.9208277463912964
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9566166996955872
c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.9810349345207214
O=C/C=C/c1ccccc1,0.45950332283973694
COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.37510553002357483
OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.4286622107028961
OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.052360840141773224
CCCC/C=C/C=O,0.7380193471908569
CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.4843659996986389
Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9563287496566772
Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.9705878496170044
[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9870025515556335
Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8708845376968384
[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.35719186067581177
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.9911627769470215
O=NN(Cc1cccc(c1)OC)C,0.8869003057479858
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.9709304571151733
OC(=O)CN=N#N,0.8204917907714844
BrC(C1=C(Cl)C(=O)OC1O)Br,0.990546703338623
O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.04511532187461853
Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.998071551322937
CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.9553295969963074
CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.956017792224884
O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9878325462341309
COc1ccc(cc1)N,0.8262360692024231
COCCOC(=O)c1ccccc1C(=O)OCCOC,0.05028421804308891
N[C@@H]1CC[C@H](CC1)N,0.1174386516213417
O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.31471750140190125
[N-]=[N+]=NCc1ccccc1,0.9270251989364624
O=C([C@@H]1OC1)Nc1ccccc1,0.9361981153488159
O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.3079201579093933
Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.11236865818500519
CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.40791767835617065
Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.057015229016542435
O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.758053719997406
COP(=O)(SC)SC,0.06555940210819244
CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.9772817492485046
COc1cc(ccc1NC(=O)C)NC(=O)C,0.3202275037765503
O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.1828955113887787
OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.0005817426135763526
[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.9972280263900757
C(Sc1ccccc1)CSc1ccccc1,0.31838473677635193
O=C1CCCCC1,0.2029619961977005
O=NN(Cc1cccc(c1)C#N)C,0.6841486692428589
OC(=O)CNCP(=O)(O)O,0.01669006235897541
O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.04080677777528763
c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8517800569534302
Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9984616041183472
COc1c2oc(=O)ccc2cc2c1occ2,0.5790559649467468
O=C/C=C/C=C/C=O,0.7365027070045471
ON(c1ccccc1)C(=O)C,0.8162901997566223
[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.8637746572494507
Cc1cc(=O)[nH]o1,0.11369355767965317
ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9912551641464233
ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.9233299493789673
CCCOC(=O)c1ccc(cc1)O,0.0043930066749453545
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.936414897441864
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.9795501828193665
BrCC1=C(Br)C(=O)OC1,0.9491685628890991
ClC(C(=O)C)Cl,0.6809437870979309
OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.016799578443169594
BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.930072009563446
CNc1ncnc(c1)Oc1ccc(cc1)N,0.47986167669296265
ICCc1ccc(cc1)OCc1ccccc1,0.22917857766151428
C=CN1CCCC1=O,0.2852841019630432
Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9899994134902954
Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.34886059165000916
NC(=O)OC1CO1,0.7854008674621582
c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.6750012040138245
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.0617450475692749
COP(=O)(NC(=O)C)SC,0.03642202168703079
c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.6932368278503418
OCCc1ccc(cc1)[N+](=O)[O-],0.8538486361503601
FC(=C(F)F)Cl,0.37950974702835083
C=CC(=O)OC(C)(C)C,0.15762224793434143
CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.2656303346157074
ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8461664915084839
Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9884254336357117
NNc1ccc(cc1)C(=O)O,0.781882643699646
Fc1ccc2c(c1)cccn2,0.7118207812309265
OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.013619022443890572
CN(C(=S)N(C)C)C,0.1659698188304901
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.8911792635917664
Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9814389944076538
C=CCc1ccccc1OCC(CNC(C)C)O,0.00966059323400259
OC(=O)/C=C/c1ccc(cc1)Cl,0.0476532056927681
Cl[C@@H](C=C)CCl,0.6652551293373108
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.0005397152854129672
CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.8784445524215698
Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.0012341366382315755
CC(=O)Nc1ccc(cc1)N,0.8294175863265991
CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.004586069379001856
[O-][N+](=O)c1cccc(c1N)C,0.8061724901199341
OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.024576861411333084
OCCO,0.16602608561515808
O=C/C=C(\CCC=C(C)C)/C,0.06454270333051682
[O-][N+](=O)c1cccc(c1N)N,0.9513823390007019
CC(=O)NN,0.3208783268928528
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.9093491435050964
O=NN1CC[C@H](C1)O,0.9928350448608398
OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8406291007995605
OCP(CO)(CO)CO,0.06227176636457443
N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.998369038105011
COc1c2cccc(c2nc2c1cco2)O,0.7270551919937134
CNN=NC,0.927446722984314
O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.004883727058768272
OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.8937515020370483
OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.0030968906357884407
O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.21797160804271698
O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9838970303535461
[O-][N+](=O)c1ccc2c(c1)cns2,0.8819104433059692
COc1ccc2c(c1)C1CCCCC1C1C2O1,0.09263817965984344
N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9940807223320007
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.007962139323353767
CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.004646646790206432
COC(=O)CCCCC(=O)OC,0.3228514492511749
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9917329549789429
Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.1979326754808426
ClCC(Cl)(Cl)Cl,0.6191078424453735
OC1CC2C(C1(C)CC2)(C)C,0.3061442971229553
[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.998231053352356
OCCCNC(=O)C(C(CO)(C)C)O,0.044307269155979156
COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.6349281072616577
Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.7457965612411499
O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.9008573293685913
O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.010500915348529816
CCCCCCCCBr,0.4582042098045349
Nc1ccc(cc1)N,0.7288713455200195
Cn1c(N)nc2c1cc1ccccc1n2,0.519637405872345
O=Nc1ccc(cc1)C(=O)C,0.8754131197929382
ONC(=O)c1ccc2c(c1)cccc2,0.9491733312606812
OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.19251790642738342
Sc1ncnc2c1[nH]cn2.O,0.8717191815376282
CC(C(=O)N(Cc1ccccc1)C)Br,0.47082552313804626
BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8124472498893738
ClCCCBr,0.813101589679718
CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5343611836433411
OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4536886215209961
CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.8472439050674438
OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.08221007883548737
CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.6168987154960632
CCOCCOCCOCC,0.23457655310630798
COCCc1ccc(cc1)OCC(CNC(C)C)O,0.06649831682443619
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.6785019636154175
ON(c1ccc(cc1)Cl)C(=O)C,0.7481027245521545
O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9747542142868042
CCOc1nc(ns1)C(=O)O,0.04180712625384331
NN(c1ccc(cc1)C)c1ccc(cc1)C,0.08633328974246979
BrCC(=O)c1cccc(c1)OC,0.1902654469013214
N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.9828125834465027
CCBr,0.693318247795105
O=CC1=CCC(CC1)C(=C)C,0.039872944355010986
BrC(C(Br)(Br)Br)Br,0.4873538017272949
Nc1ccc(c(c1)C(=O)O)O,0.7790700793266296
CC(NC(=O)Nc1ccccc1)C,0.04749753326177597
O=C1c2ccccc2-c2c1c1ccccc1cc2,0.39843621850013733
O=C(Cc1ccccc1)OCc1ccccc1,0.16306626796722412
C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.17922846972942352
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.07861131429672241
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,0.9841060638427734
CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.02581017278134823
CC([C@](C(=O)O)([C@H](O)C)O)C,0.018331844359636307
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.8774864077568054
ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.9804282188415527
CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.17091502249240875
NC(=S(=O)=O)N,0.3557432293891907
O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.9602570533752441
[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.9923256635665894
CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.8634014129638672
COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.9842130541801453
OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.18795475363731384
C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.9834990501403809
OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9755486249923706
CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.09347444027662277
OC(=O)c1ccc(c(c1)Cl)Cl,0.05561629682779312
O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.7990729212760925
NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.030275488272309303
Nc1ccc(cc1)/C=C/c1ccccc1,0.88044273853302
O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.24447038769721985
O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.9122435450553894
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9975727200508118
Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.30142802000045776
[O-][N+](=O)N(C(=N)NN=O)CCC,0.7708685398101807
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0041140904650092125
O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.786040186882019
OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.957475483417511
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.95879065990448
OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.06835927069187164
CN(N=O)CC,0.9770962595939636
COc1ccc2c(c1)nc([nH]2)N,0.7154517769813538
CC1(CO1)C=C,0.30122628808021545
NCCNCCO,0.39282551407814026
[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.9960166215896606
c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9822975397109985
NC(C(=O)O)COC(=O)C=N#N,0.7913652062416077
OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.27695316076278687
COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7591074705123901
CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.011878357268869877
COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9494726061820984
Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.949310302734375
ClC(c1ccccc1)Cl,0.2912594676017761
Clc1ccc(cc1)CC1OC1,0.9428421854972839
BrCC(=O)c1ccc(cc1)c1ccccc1,0.2770344316959381
OC1c2ccccc2Oc2c1cccc2,0.591575562953949
c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.7827180027961731
OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9379294514656067
C[C@H]1CC(=O)O1,0.138207346200943
Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9693605303764343
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,0.3225746750831604
CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.3603692352771759
COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.1204587072134018
Clc1cnc2c(c1C)cccc2,0.09001187980175018
CC(=O)Nc1ccc2c(c1)nccc2,0.7193863987922668
Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9218368530273438
NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.01380385272204876
OC(=O)c1occc(=O)c1O,0.19359655678272247
Cc1ccc(c2c1ccc1c2cccc1)C,0.7873091697692871
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,0.014685858972370625
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,0.0013150980230420828
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.4565245509147644
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.17666509747505188
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.00779264559969306
CC(Cl)Cl,0.30570095777511597
CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9875006675720215
O=NN(C(=O)N)CCC(=O)O,0.8480636477470398
CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9025453329086304
ClCCOP(=O)(OCCCl)OCCCl,0.8159807920455933
CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8216026425361633
N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7460291981697083
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.010335664264857769
NCCc1c[nH]cn1,0.416917622089386
Oc1ncnc(n1)O,0.1505684107542038
[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.952649712562561
C=CC(=O)OCCOC(=O)C=C,0.08613039553165436
CCOC(=O)NNc1nncc2c1cccc2,0.953312873840332
O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9499271512031555
CC(=O)CCl,0.39798495173454285
CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.004002446308732033
C=CC(=O)c1ccc2c(c1)OCO2,0.249775692820549
Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.22942152619361877
O=NN1CCOC(C1)O,0.9729620218276978
ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9351938962936401
ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9482572674751282
COc1ccc(cc1)CC=C,0.3093978762626648
O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.016196254640817642
COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.02576347626745701
Cn1cccc1,0.12269102036952972
O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.989261269569397
OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.013818402774631977
O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9928272366523743
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9576379656791687
BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.7885204553604126
CN(N)C,0.4044293463230133
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9916145205497742
Cc1ncc(nc1)C,0.22723588347434998
O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.03239822015166283
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.8517800569534302
CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.02954033575952053
Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.03366111218929291
Nc1cccc2c1c1ccccc1cc2,0.8882337808609009
ClC1OC1CBr,0.9673885107040405
CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.008084556087851524
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)/C1,0.00035768025554716587
COc1ccc2c(c1)nc1c(c2OC)cco1,0.7784406542778015
COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.0743429884314537
CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9934722185134888
CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.9736883044242859
O=CC1=CC[C@H](CC1)C(=C)C,0.039872944355010986
COP(=S)(SCC(=O)NCC=O)OC,0.6258448958396912
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.001861738390289247
OC(=O)C1CSSC(C(=O)N1)(C)C,0.011151635088026524
OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.11365655809640884
Cc1ccc(cc1)Cl,0.14153040945529938
OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.11019935458898544
c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7208366394042969
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.9555772542953491
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,0.17323367297649384
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.04412149637937546
ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.7844403982162476
Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.9082340002059937
O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.7156425714492798
BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.8714000582695007
O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.014896760694682598
CC(=O)c1ccc(s1)[N+](=O)[O-],0.9550678133964539
Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8724281191825867
CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.9980934262275696
Nc1nc(N)nc(n1)N,0.1382783055305481
n1ccc(cc1)c1ccncc1,0.2678462862968445
[O-][N+](=Nc1ccccc1)c1ccccc1,0.34098076820373535
O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.793907105922699
[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.9804915189743042
O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.12325428426265717
[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.6910327672958374
COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0.2232234925031662
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.09593673050403595
Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.9319415092468262
CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.9906770586967468
CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.45499759912490845
Nc1ccc2-c3c(Cc2c1)cccc3,0.8249958157539368
CCOC(=O)N(N=O)CC,0.968358039855957
C[C@H](CN(C[C@H](O)C)N=O)O,0.9754855036735535
COP(=O)(OC)C,0.26986461877822876
CN[C@H](Cc1ccccc1)C,0.2219277173280716
[O-][N+](=O)c1cccc(c1O)N,0.7947720289230347
O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.056568991392850876
OC(=O)c1cccc(c1N)O,0.08583780378103256
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.0352613739669323
Nc1ccc(cc1)Nc1ccccc1,0.4939427375793457
OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.861711323261261
OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.6176681518554688
CNc1ccc(cc1)O,0.42842912673950195
C=CCc1cc(OC)c2c(c1)OCO2,0.1680690348148346
Cc1cc(N)c(cc1C)C,0.5481364130973816
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.024705776944756508
C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.04859932139515877
O=C1CCCCCCCCCCCCCCO1,0.06226969510316849
COC=C,0.8367088437080383
OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.007853219285607338
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.01930997334420681
ClCc1cccc(c1)[N+](=O)[O-],0.6910287141799927
C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.5182307958602905
Clc1cccc(c1)Cl,0.10621688514947891
COc1c(OC)c2occc2c2c1ccc(=O)o2,0.4922429621219635
Cc1ccccc1OC[C@H]1CO1,0.9119407534599304
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.1452294886112213
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.19843551516532898
Clc1ccc2c(c1)cccc2,0.5146808624267578
Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9217332005500793
ClC(C(=O)C(Cl)Cl)Cl,0.6754990816116333
COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.9705637693405151
OC1=CC(=O)C1=O,0.055000681430101395
CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.3326004147529602
Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.406705379486084
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9014085531234741
O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.3211364448070526
c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.96446692943573
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.7506933808326721
N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.45788708329200745
C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.3329332768917084
O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.9047263264656067
Cc1n[nH]c(=O)[nH]c1=O,0.48681187629699707
Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.2518158555030823
CCCCCCCCOC(=O)C(=C)C,0.006549215409904718
OC(=O)CCN[N+](C)(C)C,0.10680028051137924
FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.01337500847876072
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.8704161643981934
Clc1ccc(cc1N)C(F)(F)F,0.08877552300691605
O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.38686805963516235
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.11543221771717072
Nc1ccc2c(c1)oc(=O)cc2C,0.45102518796920776
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.9687362909317017
CC(=C)c1ccccc1,0.8113288879394531
Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9822955131530762
Cc1ccc(cc1)[N+]#N,0.8795732259750366
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.0435340479016304
Oc1cccc(c1)Nc1ccccc1,0.18944068253040314
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.4561336934566498
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.014554883353412151
NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.940482497215271
O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.11380349099636078
Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9959758520126343
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9660202264785767
Cc1cccc2c1-c1ccccc1C2C,0.933404266834259
C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.003575751092284918
ONc1cc(C)cc(c1)C,0.7670680284500122
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.9379984140396118
CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.0037221149541437626
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.37661728262901306
CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.9672422409057617
Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.6781181693077087
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,0.9790779948234558
Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.7496417760848999
O=Cc1ccc(cc1)[N+](=O)[O-],0.48520106077194214
OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.3472985029220581
OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.9634604454040527
OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.917942225933075
Oc1ccc2c(n1)cccc2,0.4869377017021179
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9789240956306458
c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.5098280310630798
NCCO,0.4318307042121887
O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.48170551657676697
SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.07280072569847107
Fc1cccc2c1cccn2,0.8082879781723022
Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.006812061183154583
CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.4561275541782379
CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.6393935084342957
COc1ccc(cc1C(C)(C)C)O,0.017137611284852028
CCCCCCCCC,0.06885315477848053
O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.999087929725647
Clc1c(O)cccc1Cl,0.034542977809906006
CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.12337007373571396
[O-][Cl](=O)(=O)=O,0.3566280007362366
CCOC(=O)C(Br)C,0.84999018907547
Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.9363154172897339
Cc1cc(C)c(c(c1)C)N,0.46776285767555237
BrCCCCCCCC(=O)O,0.32767555117607117
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.015259237959980965
OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,0.8714120984077454
CC1=CC(O)C2CC1C2(C)C,0.05102725699543953
ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.7867844700813293
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)O2,0.27980002760887146
CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.9215730428695679
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.9292523264884949
Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7978646159172058
OC(=O)O.[K+].[K+],0.040553342550992966
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9967115521430969
Cc1ccc2c(c1)nc(n2C)N,0.8796665072441101
O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.999504566192627
CCC[C@H]([C@H](CO)CC)O,0.01254414301365614
FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.049936193972826004
CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.2808074653148651
CN(C1CCCCC1)C,0.07691662013530731
Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9873434901237488
COc1c(N)cc(c(c1C)N)C,0.35519731044769287
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9893868565559387
COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9989970326423645
Cl/C=C/CSCC(C(=O)O)N,0.6439768075942993
[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.06631847470998764
CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.8395498394966125
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,0.19596539437770844
CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.006595285143703222
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7539747357368469
COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.764671266078949
CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.9840564727783203
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)CC1CCCCC1,0.04437629133462906
CCS,0.3531818389892578
[O-][N+](=O)c1ccccc1C(F)(F)F,0.19949384033679962
[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.34098076820373535
CCC(CO)(CO)CO,0.4641335904598236
CCCCCCC=O,0.11791367828845978
Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.043720752000808716
CN([N+](=O)[O-])C,0.7851778268814087
C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.9485574960708618
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.14594173431396484
c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.9944872856140137
CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9717982411384583
COC(=O)CCCC(=O)OC,0.26486271619796753
O=Cc1ccc(cc1)Cl,0.04840483143925667
Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7134818434715271
CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.9978263974189758
COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.075118288397789
OCCN(CC)CC,0.28113672137260437
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.8004592657089233
COC(=O)C(=C)C,0.2498314380645752
O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.022386381402611732
CC1(CO1)C(=O)N,0.8307177424430847
CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.7055113911628723
O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.005739117972552776
O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.04437629133462906
COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.09611821174621582
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.8976116180419922
C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.000755983404815197
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.010557882487773895
Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.9911354780197144
OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.32596826553344727
CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.20805999636650085
CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.8099185824394226
CC(S)C,0.24564261734485626
[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.5569573640823364
C[n+]1c2ccccc2nc2c1cccc2,0.8863816261291504
CCOC(=O)[C@@H](C(=O)C)Cl,0.024735670536756516
CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9868029356002808
COC(=O)C(Cl)Cl,0.6418824791908264
COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.30331990122795105
CCCC(=O)C,0.023582015186548233
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.0045976294204592705
CC(=C)C(=O)OC(C)(C)C,0.19287297129631042
[O-][N+](=O)C(C(O)C)C,0.1357792615890503
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.17465642094612122
c1ccc(cc1)N/N=N/c1ccccc1,0.5586919784545898
O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.04947502538561821
Cc1cc(ccc1N)c1ccccc1C,0.9464797973632812
OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.0531386137008667
OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.03924434259533882
[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.9764084815979004
CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9820448756217957
OC(=O)c1ccc(cc1)N,0.4112822413444519
c1ccc2c(-c3ccccc3C3C2N3)c1,0.9821268916130066
O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.01060301624238491
COC(=O)C(Cl)C,0.25241321325302124
C[Si](O[Si](C)(C)C)(C)C,0.12908542156219482
CCCCBr,0.6392654180526733
OOC(N=NC)(C)C,0.873734176158905
Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.8928878903388977
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.9037002325057983
OCCOc1ccccc1,0.047449737787246704
O=c1[nH]ncc2c1cccc2,0.17399930953979492
CC(=O)Nc1cccc2c1cccn2,0.6070418953895569
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.008421558886766434
COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.9829200506210327
O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.9104922413825989
Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.05714620277285576
COc1cc(ccc1O)C(=O)C,0.2632092535495758
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.008606873452663422
O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.816057562828064
OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.003033023327589035
[O-][N+](=O)c1ccc(c(c1)O)N,0.9391168355941772
COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9972421526908875
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.007927271537482738
CC(c1cccc(c1O)C(C)(C)C)(C)C,0.013100018724799156
c1ccc(cc1)c1ccccc1OCC1CO1,0.9584199786186218
CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.00032910294248722494
C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.00966059323400259
COCOC,0.2626461088657379
Oc1cc(=O)[nH]c(n1)N,0.03132617101073265
[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.9962523579597473
Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7196029424667358
c1ccc(cc1)NN=Nc1ccccc1,0.5586919784545898
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,0.00016258753021247685
Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.00443781865760684
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.936414897441864
CCOO,0.7126685380935669
O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.5785219669342041
CCOC(=O)N,0.49503183364868164
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8139021992683411
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.7521672248840332
Fc1ccc2-c3c(C(c2c1)C)cccc3,0.907856822013855
O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.634730339050293
COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.5116546154022217
Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9987329244613647
CCc1nn(c(c1Cl)C(=O)N)C,0.032639846205711365
CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.0019378270953893661
[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0.18399754166603088
[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.12234576046466827
CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.9948862195014954
CC(=O)OCCOCCOCCOC(=O)C,0.36726003885269165
CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.11194596439599991
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.3481442332267761
CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.2580563426017761
Oc1ccc(c2c1cccc2)O,0.41508522629737854
OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.013818402774631977
O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9986907839775085
CCCCCCCCCCCCCCCCN,0.06061596795916557
OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.012565359473228455
Cc1ccccc1N,0.7344323396682739
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,0.8998380899429321
BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.8038762807846069
CCCCCCCCO,0.0475204773247242
O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.00875015091150999
BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.6344331502914429
CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.3603692352771759
c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.457676500082016
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.004841646645218134
Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9329456090927124
CN(/N=N/c1[nH]cnc1C(=O)N)C,0.8778222799301147
OCc1ccc(cc1)Br,0.026304012164473534
O=c1nc[nH]c(=O)[nH]1,0.11713429540395737
Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.4865022599697113
CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.003887499449774623
ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9972237348556519
OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8728570938110352
c1cc2ccc3c4c2c(n1)ccc4ccc3,0.8143221139907837
BrC(=C)C=O,0.8454834818840027
Clc1nncc2c1cncc2,0.04748968034982681
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.01233102660626173
Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.8398669362068176
OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.05951559543609619
O=NN1CCC(=O)CC1,0.9808399081230164
COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.9490208625793457
[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9940128326416016
N#Cc1ccc(cc1)C,0.12995819747447968
COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.8307794332504272
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.0248542632907629
O=NN(c1ncn(c1C(=O)NC)C)C,0.8514779210090637
CC(Nc1snc2c1cccc2)C,0.05452699214220047
C=CCCC1CO1,0.7363439798355103
OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.7884991765022278
Nc1nc2c([nH]1)cccc2,0.5193034410476685
CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.07302077114582062
COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.05655127018690109
CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.003484980436041951
OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.1346207559108734
CCCN(CCCC(=O)O)N=O,0.8961593508720398
CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.05544936656951904
OC(=O)O.[Ca+2],0.06315942108631134
OCCCBr,0.6422605514526367
O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9816259145736694
CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.9374160766601562
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.890725314617157
CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.730588972568512
ClC(C#N)Cl,0.22281420230865479
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.0007912226137705147
OC(=O)CCC(=O)O.[Na+].[Na+],0.09345750510692596
CCSCCOP(=S)(OC)OC,0.33110684156417847
CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.004034166224300861
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.19692397117614746
OC(=O)CCC(=O)O.[Na+],0.09345750510692596
ClCCCl,0.608328640460968
C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.9165353775024414
OC(c1ccccc1)CN=N#N,0.8729589581489563
ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.493560791015625
[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.879835307598114
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9924758076667786
COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.009572295472025871
O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9980871081352234
O[C@@H]1OC(=O)C(=C1C)Cl,0.9722493886947632
CC/C=C/CC/C=C/C=O,0.8364497423171997
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,0.0004679525154642761
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9096989631652832
CC/C=C/C,0.30098485946655273
CSc1cc(SC)c(c(c1N)C)N,0.7368934750556946
[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.9569689035415649
CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.2693418264389038
CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.0006825110176578164
CNc1nc(OCC(F)(F)F)nc(n1)N,0.0037438098806887865
ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.6716568470001221
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,0.15918754041194916
CNc1nc(C)c(c(n1)O)C,0.05130857974290848
N1C(=O)C(=N#N)C=NC1=O,0.849332332611084
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,0.08883638679981232
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.016423050314188004
Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.042548768222332
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.011648227460682392
CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.02906191721558571
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.019884731620550156
OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.020730692893266678
[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.12431661039590836
[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.4439934194087982
Nc1cnc2c(c1C)nc1n2cccc1C,0.9876447916030884
CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.8185884356498718
O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.886317253112793
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.99174964427948
Fc1cc2cccnc2c2c1nccc2,0.9754306077957153
OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.18938010931015015
CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8123156428337097
Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8270034790039062
O=CN(c1ccc(cc1)c1ccccc1)O,0.6838091015815735
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9652572870254517
Cc1c(N)c(C)c(c(c1C)N)C,0.4162414073944092
Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.06458357721567154
C/C=C/c1cccc(c1OC)OC,0.2187660187482834
[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.6643742322921753
OC1OC(=O)C(=C1C)Cl,0.9722493886947632
NCCNCCNCCN,0.5965990424156189
BrCCOC(=O)C=C,0.802341103553772
COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.8537209630012512
OC(=O)C(CC(=O)O)CC(=O)O,0.13913491368293762
COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.1497860997915268
OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.0022536858450621367
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.013051630929112434
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9707778692245483
ClC(=C(Cl)Cl)CS(=O)(=O)O,0.5635556578636169
O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9907717704772949
ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.8064200282096863
OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.047416266053915024
c1ccc2c(c1)nc1c(c2)cccc1,0.7679374814033508
NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.5150942802429199
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.05002430081367493
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.0029447327833622694
CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.17118962109088898
OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9479475021362305
Cc1ccc(cc1C)S(=O)(=O)O,0.09598827362060547
CC(C(=O)Nc1ccccc1)C,0.2210046947002411
CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.9916704297065735
c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.7717636227607727
CC(Br)(C)C,0.0633130818605423
CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9938178062438965
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.3436310291290283
N[C@@H]1CCC[C@H](C1)N,0.038835685700178146
N#CC(=Cc1ccccc1Cl)C#N,0.20246481895446777
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.9968944787979126
CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.03563806042075157
CCCCC(=C)C=O,0.5598760843276978
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,0.10671291500329971
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.016204655170440674
BrCc1ccc(cc1)Br,0.09015785157680511
CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9931973218917847
ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.7867517471313477
O=Nc1cc(ccc1C)[N+](=O)[O-],0.9727510213851929
CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.03177466243505478
CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.09955325722694397
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.16523514688014984
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,0.9139044880867004
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.008146584033966064
OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.9955161213874817
CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9918050765991211
c1ccc(cc1)c1ccccc1c1ccccc1,0.73070228099823
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.003667696611955762
OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.012427653186023235
N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9966900944709778
O=CNc1ccc2-c3c(Cc2c1)cccc3,0.94767826795578
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9956849813461304
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,0.9151203036308289
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9955394864082336
O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7452965974807739
O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.04590224847197533
Clc1cccc(c1)C(=O)O,0.061808157712221146
[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9668049812316895
OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.11763497442007065
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,0.3091523349285126
O=NN(Cc1cccc(c1)Br)C,0.2921024262905121
O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.6703358888626099
O=C1C(=O)C2(C(C1CC2)(C)C)C,0.3963869512081146
CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.18653638660907745
c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.9872589111328125
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.8758752942085266
ClNc1nc(NCl)nc(n1)NCl,0.3158648610115051
Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.5590120553970337
OC(=O)/C=C/C=C/C(=O)O,0.11975811421871185
CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9638689160346985
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.16713520884513855
OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.011162697337567806
NNc1ccccc1,0.6695149540901184
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.05391144007444382
COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.04211737588047981
C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.0017451379681006074
Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.45109254121780396
FC(Cl)(Cl)Cl,0.3633826673030853
C=COCC(F)(F)F,0.10550938546657562
NCCc1c[nH]c2c1cc(O)cc2,0.18543574213981628
OCCc1cn(c2c1cccc2)N=O,0.9642133712768555
Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.8965511322021484
OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8626173138618469
OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.6162916421890259
CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.5785996317863464
COC(CCOC(=O)C)C,0.29862409830093384
CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.9552749395370483
Cc1cccc(c1)C(=O)Cl,0.8419206738471985
O=C/C=C/C=O,0.673859715461731
Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.10233177989721298
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.9555621147155762
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.005204867105931044
CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.0117320716381073
CCN(C(=O)c1cccc(c1)C)CC,0.015572051517665386
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+],0.8021030426025391
COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9109166264533997
ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.8480887413024902
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,0.8166271448135376
Fc1ccc(c2c1nccc2)F,0.9758695363998413
Cc1cccc2c1-c1ccccc1[C@@H]2C,0.9417790174484253
CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.9329918622970581
COCCO,0.2965015470981598
CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.9547590017318726
CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.016732212156057358
COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.1455053836107254
Cc1cc2ccccc2c(c1)C,0.71591717004776
BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9739305377006531
CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.30530622601509094
OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.0008588101482018828
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.8759153485298157
CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.039196670055389404
OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,0.02148778736591339
CN(CCN(C)C)C,0.2027086764574051
Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.6156824231147766
OC1C(O)C=Cc2c1cccn2,0.12540434300899506
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,0.9884560704231262
OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.9571701884269714
OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9464902877807617
O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.06842003017663956
COc1ccc2c(c1)oc(=O)cc2CBr,0.36032065749168396
[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9909736514091492
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,0.9427685737609863
ClC(=C)C=O,0.8700992465019226
C[C@H](C(=O)Nc1ccccc1)Br,0.8279298543930054
c1cc(OCC2CO2)c2c(c1)cns2,0.9862204790115356
Cc1ccc2c(c1)nc([nH]2)N,0.31140464544296265
OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.026722609996795654
CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.3283688426017761
CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.8844183683395386
COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.00953421089798212
O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.015114560723304749
BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.43184271454811096
C/C=C\C=C/C(=O)O,0.14978401362895966
[O-][N+](=O)c1ccc(c(c1)N)C,0.9876354336738586
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,0.8828399777412415
N[C@@H]1C[C@H]1c1ccccc1,0.13134123384952545
Cc1c[nH]c(=S)[nH]c1=O,0.10930430889129639
O=C(c1ccccc1)Nc1snc2c1cccc2,0.44888371229171753
OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8711658716201782
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.9532473683357239
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.0012988147791475058
OS(=O)(=O)ONNCCc1ccccc1,0.43689799308776855
Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.8726661801338196
OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.3095821440219879
CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.8921604156494141
[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9965421557426453
[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9691898226737976
C[N+]1(C)CCCCC1.[Cl-],0.04103150591254234
Cc1nsc(c1)N.Cl,0.9344334602355957
COc1cccc2c1nc1occc1c2OC,0.7746455073356628
C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.06741756945848465
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.03942766413092613
Oc1ccc2c(c1)nc(n2C)N,0.9358504414558411
Oc1ccc(c(c1)O)O,0.3943091034889221
ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.8183664083480835
[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.6064833402633667
CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.019170181825757027
CCCC[C@H](CO)CC,0.04077739268541336
COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.0839022770524025
CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.3502058982849121
O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.12176257371902466
Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.012223483994603157
OC(=O)COc1ccc(cc1)Cl,0.05728691816329956
CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.04941913112998009
c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.9811273813247681
Fc1cnc2c(c1)cc(c1c2cccc1)F,0.795544445514679
O=C1OCC1(C)C,0.45074328780174255
CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.07548139244318008
ClCSP(=S)(OCC(C)C)OCC(C)C,0.02123134210705757
OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8476923704147339
BrCCCCCBr,0.7789154052734375
[N-]=[N+]=C1C=NC(=O)NC1=O,0.8601312637329102
OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9884560704231262
N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8096266984939575
[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.8804599046707153
N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9950450658798218
O=C1CCCN1C,0.11980767548084259
ONC(=O)CNC(=O)c1ccccc1,0.6987119317054749
CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.725976288318634
P,0.2102612555027008
CCCC[N+](=O)[O-],0.18240782618522644
OC(=O)[C@H](O)C.[Na+],0.08065929263830185
CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.024408604949712753
COC(=O)CCl,0.17369553446769714
Nc1ccc2c(n1)cccc2,0.829092800617218
ClC(=O)OCc1ccccc1,0.03614616394042969
CCOC(=O)c1ccccc1N,0.09651627391576767
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.955842137336731
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.9835745692253113
O=NN1CN2CN(C1)CN(C2)N=O,0.944837212562561
SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.09231628477573395
CCCC(=O)OCC,0.0836980789899826
ClC(=C1C=CC(=O)O1)Cl,0.5322002172470093
CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8370023965835571
CCc1nc2c(nc1CC)ccc(c2C)NC,0.8014446496963501
OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.9653854370117188
CCC(=O)C,0.0658591240644455
O=C1C=C(C)C(=O)C(=C1)C,0.061693329364061356
[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9265716671943665
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.24079501628875732
C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.007257784716784954
O=NN1CCCN(CC1)N=O,0.9894291758537292
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.5746224522590637
N#Cc1ccc(cc1)C(=O)O,0.06898396462202072
CCN(c1ccc(cc1)N=O)CC,0.935183048248291
Cc1ccc(c2c1n(C)c1c2cccc1)C,0.9213271141052246
Nc1ncc2c(n1)nc[nH]2,0.09485484659671783
c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9966410398483276
O1C[C@@H]1[C@@H]1OC1,0.8432868719100952
Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8821541666984558
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,0.00046403304440900683
[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9909197688102722
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,0.0012421018909662962
OC(=O)[C@H](Br)Cl,0.28017979860305786
CC(=O)N(c1snc2c1cccc2)C,0.12410733848810196
OCC1OC(CC1O)n1cnc2c1ncnc2N,0.4406340718269348
[O-][N+](=O)c1ccccc1,0.8192523717880249
Clc1ccc(cc1)S(=O)O,0.162950336933136
CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.058754365891218185
COc1c2ccccc2nc2c1cco2,0.7576926946640015
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.03946138173341751
CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.991452693939209
OCc1c2ccccc2c(c2c1cccc2)C,0.5757305026054382
Fc1cnc2c(c1)c(F)ccc2,0.7555516958236694
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.0002737829927355051
CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.9970362782478333
Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.967572808265686
O[C@H](C(=O)c1ccccc1)c1ccccc1,0.03936726972460747
OCc1ccc(o1)C=O,0.48874959349632263
OCCN=N#N,0.9518178701400757
CCCCC#N,0.05641942471265793
CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.0022419325541704893
CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.6454118490219116
Clc1cccc2c1nccc2,0.23309966921806335
ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.9989728927612305
OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.8460564613342285
COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.08384622633457184
ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9884096384048462
CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.15102618932724
CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.9203382730484009
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,0.8291069865226746
Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.9697672128677368
[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9691898226737976
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7920811772346497
O=C1NC(=O)NC(=O)C1(O)O,0.3681245446205139
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.9945057034492493
OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.7209300994873047
OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.012390905991196632
c1ccc(cc1)NNc1ccccc1,0.5842093825340271
[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8815516233444214
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.007331849541515112
N#[N+]c1ccc(cc1)[N+](=O)[O-],0.994733989238739
ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.11368726193904877
Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.31470221281051636
Oc1ccc(cc1N)S(=O)(=O)C,0.3699248731136322
O=C1NCNC(=O)N1,0.23216763138771057
C=CC(=O)N1CCN(CC1)c1ccccc1,0.1635199338197708
NN(C(=O)C)C(=O)C,0.1829998791217804
OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.571327805519104
CCCCN(CCC(=O)C)N=O,0.8732796907424927
OC(=O)c1ccccc1C(=O)O,0.09091419726610184
c1ccc2c(c1)c(OCC1CO1)ccc2,0.9689446687698364
ClC/C=C/Cl,0.9713905453681946
Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.972311794757843
CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.9729557037353516
Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.903161883354187
OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,0.15373638272285461
O=C1C=Cc2c(C1=O)cccc2,0.3592729866504669
C=CCc1ccc(c(c1)OC)O,0.23111674189567566
CC(c1ccccc1)CN=N#N,0.9009367227554321
[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9986549615859985
OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9300951957702637
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.05947684496641159
C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.005328960716724396
[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9560178518295288
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.1474924087524414
CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.0027483331505209208
O=CC=C(Cl)Cl,0.6870843172073364
NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.06693490594625473
Clc1cc(O)c(c(c1)Cl)Cl,0.0206880085170269
CC/N=N/O.[K+],0.7434425354003906
Nc1nc(C)c2c(c1)[nH]c1c2cccc1,0.9613412618637085
O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.9911785125732422
CC(=C)C(=O)OC[C@@H](CBr)Br,0.8268402814865112
CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.00432284502312541
ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.9958057403564453
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.0077734277583658695
C1CC2OC2CCC2C1O2,0.278431236743927
ONc1ccccc1c1ccccc1,0.9400161504745483
COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.5815404653549194
O/N=C/c1ccncc1,0.3812912106513977
CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.0018087814096361399
ON1CN(Cl)CN(C1)Cl.[K+],0.030364450067281723
CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.3278046250343323
[C-]#[O+],0.3598995804786682
O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.13520824909210205
CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.6930487751960754
CCSC(=O)Cl,0.7486997246742249
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.15624621510505676
O=Nc1[nH]cnc1c1ccccc1,0.9328765869140625
c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9955714344978333
COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.0030400461982935667
NCCC#N,0.19960157573223114
O1CCC2(CC1)CO2,0.17959026992321014
Cl[C@@H](C(F)(F)F)Br,0.3552716374397278
OCCCCCl,0.13385535776615143
CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.9926503300666809
ClCC(CCl)O,0.5684190392494202
CCCCCCCCCC[C@@H]1OC1,0.40849655866622925
O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.06954684108495712
OC(=O)C[N+](C)(C)C,0.11095006763935089
BrCC1=C(Br)C(=O)OC1O,0.9715932607650757
OC(=O)CCCC(=O)O,0.11896932125091553
Nc1nccs1,0.6795822381973267
Nc1ccccn1,0.6357175707817078
Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.9263890385627747
FC(C1=C(C=N[N]1)C(=O)O)F,0.20570938289165497
[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8564335107803345
COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.9842731356620789
Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.06496891379356384
SC[C@@H](C(=O)O)NC(=O)C,0.22856779396533966
CCOC(=O)CC(C)C,0.2265513837337494
c1cc2ccc3c4c2c(c1)ccc4cnc3,0.5113275647163391
CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.007012201938778162
O=NN1CCCC1,0.9895842671394348
CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.10726187378168106
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.8240517377853394
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,0.030493641272187233
C[n+]1ccc(cc1)c1ccccc1,0.22546067833900452
O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.9681535959243774
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.12856832146644592
O=C1CCCCCO1,0.05550604313611984
Cl/C=C\Cl,0.5952062606811523
CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.00807519443333149
Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.7007881999015808
CN(P(=O)(N(C)C)N(C)C)C,0.6824124455451965
CCNC(=O)CCC(C(=O)O)N,0.06519432365894318
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.017228778451681137
CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.1553952991962433
Oc1ccc2c(c1)nccc2,0.502197802066803
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.0014776908792555332
COc1ccccc1CC1CO1,0.9696389436721802
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,0.043059270828962326
COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.08639367669820786
Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.7748931646347046
CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.03282017633318901
O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.0025661990512162447
CC(c1ccc(c(c1)O)C)C,0.06169766187667847
Nc1nnc(s1)S,0.3283796012401581
[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.5896408557891846
CCN(/C(=N/O)/C=O)N=O,0.946386456489563
Cc1ccc(c(c1)N)[N+](=O)[O-],0.8651378750801086
CC(=O)Nc1ccc(cc1)C(=O)O,0.26797398924827576
OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.9529250860214233
Oc1cc2ccccc2c2c1cccc2,0.7499574422836304
Oc1ccccc1Cl,0.06634712964296341
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.22513063251972198
COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9980801343917847
[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9993299245834351
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.02549324557185173
NCC=C,0.2119331657886505
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0008913806523196399
O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.35971277952194214
C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.00642051687464118
N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.9808152914047241
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.5544412136077881
CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.07085124403238297
COc1cccc2c1OC1(C2(C)OO1)C,0.6322055459022522
O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.9917596578598022
O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.8965514898300171
Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.8853193521499634
CC(CC(O)C)C,0.1400464028120041
COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.010322999209165573
N/N=c/1\sc2c(n1C)cccc2.Cl,0.8955163955688477
Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.9567161798477173
CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.702536940574646
OC(=O)c1ccccc1,0.10648085176944733
Clc1ccc(c(c1)[N+](=O)[O-])N,0.9231017827987671
CCCCCNc1snc2c1cccc2,0.026621978729963303
ClCCl,0.3624817430973053
Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.9327901601791382
O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9933344721794128
OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.3975807726383209
C(C1OC1)CC1OC1,0.8115484118461609
O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.19870500266551971
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.7901571989059448
C=C1CC(=O)O1,0.19724343717098236
Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.5949658155441284
CCOS(=O)(=O)c1ccc(cc1)C,0.7629716992378235
C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.10641392320394516
CSC(/C=N\O)(C)C,0.07389623671770096
CCN(C(=S)SCC(=C)Cl)CC,0.3591102063655853
COC1=CC=CC=CC1,0.7181873321533203
O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.5418575406074524
OC(=O)c1c(Cl)cccc1Cl,0.06266102939844131
OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,9.384070290252566e-05
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.6851378679275513
Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7493635416030884
Oc1ccc(c(c1)C)C,0.2222868949174881
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.9574565887451172
Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7499574422836304
CCOc1ccc(cc1N)N,0.9548091888427734
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.9613542556762695
CCN([N+](=NO)[O-])CC,0.5298252105712891
OC(=O)c1ccc(cc1)C,0.08730548620223999
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.11887951195240021
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.301151841878891
OC(=O)CCl,0.3949730396270752
c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9516800045967102
Oc1ccc2c(c1)cccc2,0.3969326913356781
C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.9746166467666626
CCc1ccccc1O,0.15226252377033234
Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.0005670779501087964
OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.004747948609292507
Clc1ccccc1Cl,0.12480777502059937
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.8793948292732239
COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.5259429216384888
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,0.10635888576507568
Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9211640357971191
Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.08287761360406876
OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9504246711730957
O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.9854750633239746
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,0.16851988434791565
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,0.7531911730766296
[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.3617360591888428
OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.7898622751235962
O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.09965300559997559
Cn1c(N)nc2c1cccc2,0.9392341375350952
OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.008857895620167255
CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9318586587905884
OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7881251573562622
Cn1ncc(c(c1=O)Cl)N,0.1590043306350708
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,0.3091523349285126
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.9159073829650879
CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.871679425239563
CCOc1cccc(c1)[N+](=O)[O-],0.8433246612548828
CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.012951770797371864
BrC1=C(Br)C(=O)OC1,0.8506771326065063
BrC(c1ccccc1)C(=O)NCc1ccccc1,0.5884857177734375
ONc1nc(N)nc2c1nc[nH]2,0.9334259033203125
Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.9005049467086792
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,0.027692090719938278
O=NN1CCC[C@@H](C1)C,0.9838395118713379
O(Cc1ccccc1)C[C@H]1OC1,0.9437705874443054
OC1CCN(CC1)N=O,0.9773697853088379
O=Nc1ccc(cc1)c1ccccc1,0.9440979957580566
CN(c1ccc(cc1)N(C)C)C,0.6053180694580078
O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6971246004104614
CN/N=N/C,0.9319053888320923
OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8585535883903503
CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8498443365097046
CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.0014831857988610864
Nc1cc2cccc3c2c2c1cccc2cc3,0.8789963722229004
COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9969032406806946
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.9727134704589844
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.7691683173179626
COc1cc(/N=N/c2ccccc2)ccc1N,0.9851278066635132
C=CCOC(=O)CC(C)C,0.19245606660842896
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,0.030482303351163864
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9978700876235962
COc1ccc(cc1)N=O,0.9508787989616394
ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.9961347579956055
OCC#C,0.12155985832214355
[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8897124528884888
CCCCCCCCCCCCCC[C@@H]1OC1,0.40849655866622925
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,0.0005757015314884484
Cc1ccc(cc1)OC[C@@H]1OC1,0.9423551559448242
Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.036708567291498184
CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.8098433613777161
[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.7850791215896606
CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9763337969779968
OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.004021195229142904
Oc1cccc(c1C)O,0.5790093541145325
O=C(C(=O)c1ccccc1)c1ccccc1,0.07190132886171341
CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.9162454605102539
CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.12703746557235718
OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.2464749813079834
[O-][N+](=O)c1ccc(c(c1)N)O,0.9713355898857117
O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9906853437423706
Cn1c2ccccc2c2c1cccc2,0.8717735409736633
O=C(c1ccccc1)c1ccccc1,0.4185963571071625
COc1nncc2c1cccn2,0.054196279495954514
N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.8729438781738281
Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.9446085691452026
Nc1cc(Cl)c(c(c1)Cl)N,0.6047331094741821
COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.21945872902870178
CCCC[C@H]1CO1,0.40849655866622925
ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.08565560728311539
CN,0.13171111047267914
Oc1c2ccccc2nc2c1cco2,0.6371612548828125
OCOC(C)(C)C,0.38712039589881897
N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.0011343768564984202
CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.08044124394655228
O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.0028766354080289602
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,0.5564454197883606
CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.9863177537918091
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.7977228164672852
Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9543878436088562
C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.9684882164001465
ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9981645345687866
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9949688911437988
c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9739953875541687
NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.16519315540790558
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,0.983519434928894
O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.988662838935852
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.13854342699050903
Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8619810342788696
N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.16631855070590973
[O-][n+]1ncc2c(c1)ccnc2,0.026035871356725693
Cc1cccc2-c3c([C@H](c12)C)cccc3,0.797448992729187
CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.786347508430481
Cc1cccc2-c3c(C(c12)C)cccc3,0.797448992729187
CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.09396085888147354
Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9927278757095337
[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.03447255492210388
ClCC[N+](C)(C)C.[Cl-],0.24956336617469788
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.0009385203011333942
N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.16261593997478485
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.4432663023471832
O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9741095304489136
Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.007428708486258984
CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.9155610203742981
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,0.09256280213594437
ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.996972918510437
Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.8619810342788696
Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.953288197517395
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.0016817476134747267
CC(=O)OC[C@@H](CO)O,0.5585117340087891
BrCC#C,0.2872077226638794
OCCCCN(N=O)CC,0.9869452714920044
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.06650658696889877
CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.42488813400268555
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.16713520884513855
[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9919675588607788
O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.6000653505325317
[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.9935859441757202
CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.9733591079711914
O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9585859179496765
CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.9579395055770874
COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.8053911328315735
O=C/C=C/C(O)C,0.913127064704895
Clc1ccc(cc1)S(=O)C,0.02628685161471367
ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.04978646710515022
CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.8571076393127441
OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.2591174244880676
CCCCN(CCCC)CCCC,0.07997549325227737
CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.032197363674640656
C#CCOCC[n+]1ccccc1/C=N/O,0.04569564759731293
ClCC1=CC(=O)OC1,0.9064127206802368
OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,0.19055943191051483
CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.010437496937811375
CCCCCNCCCCC,0.08655969798564911
Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.06688304245471954
NC(=S)N,0.20154914259910583
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,0.916685938835144
Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.03659265488386154
Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8839452862739563
C=Cc1cccnc1,0.07262839376926422
COc1cc(cc(c1O)OC)C(=O)C,0.18414239585399628
ICI,0.36206701397895813
COc1cc(O)nc(n1)NC(=O)N,0.012140869162976742
OCCN1CC1,0.09373614937067032
ClCc1c2ccccc2c(c2c1cccc2)CCl,0.6434611082077026
OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.12395952641963959
Fc1cccc2c1ccc1c2cccn1,0.9347559809684753
COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.47434601187705994
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,0.782326340675354
COc1nsc2c1c(ccc2)[N+](=O)[O-],0.9128808975219727
OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.0031391424126923084
CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7546089887619019
CNC(=O)Oc1cccc2c1cccc2,0.6925575137138367
OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.0006586567615158856
CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7246170043945312
CN(c1nc2c(n1C)ccc1c2cccn1)C,0.9382396936416626
Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.5590120553970337
COC(=O)C1=CCCN(C1)C,0.06498020142316818
NC(=O)c1ccc(cc1)[N+](=O)[O-],0.6099780201911926
ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.7939640879631042
O=C(Nc1ccccc1)Nc1ccccc1,0.21662858128547668
Nc1ccccc1S(=O)(=O)O,0.4671359956264496
C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.899383544921875
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.10647527873516083
Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.673514723777771
CC(Cc1ccc(cc1)C(=O)C)C,0.18238916993141174
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9922834634780884
CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.0018869504565373063
NS(=O)(=O)c1cccc2c1nccc2,0.019427243620157242
OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.9819011688232422
O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4528273642063141
Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9285694360733032
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9694910049438477
OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9608469009399414
O/N=C/c1ccccn1,0.23297441005706787
BrCc1cccc(c1)CBr,0.40310364961624146
CCOC(=O)c1ccc(cc1)N(C=O)O,0.09159141778945923
CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9799542427062988
CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.09627948701381683
O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.25040918588638306
OC(=O)C1CC(N(C1(C)C)O)(C)C,0.04597045108675957
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,0.005189406219869852
COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.10177101939916611
CCCNCCC,0.13249388337135315
n1ccc2c(c1)cnnc2,0.30295056104660034
ClCC1=C(Cl)C(=O)OC1O,0.9938745498657227
C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.13187333941459656
[O-][N+](=O)c1c(C)cccc1C,0.5727246999740601
FC(COc1nc(N)nc(n1)N)(F)F,0.0026055299676954746
CCCCSCC[C@@H](C(=O)O)N,0.09151344746351242
OC1C=Cc2c(C1O)nccc2,0.3334229588508606
CC/C=C/C=C/C=C/C=C/C=C/OC,0.8646798133850098
CC(=O)OC(=O)C,0.172014981508255
BrCc1ccccc1CBr,0.3228505253791809
O=NN(C)C,0.8988854289054871
CCN=C=S,0.7028205990791321
NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.8374439477920532
CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8577333688735962
O1CCN(CC1)Sc1nc2c(s1)cccc2,0.06966136395931244
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.056153278797864914
FC(Br)(Cl)F,0.36441856622695923
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,0.014084754511713982
O/N=C(/c1ccccc1)\N,0.723477840423584
OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.9825388789176941
S=C=Nc1cccc2c1cccc2,0.09736748039722443
Nc1ncnc2c1ncn2Cc1ccccc1,0.8193893432617188
COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.9874914288520813
CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.006583105772733688
CCCCCCCCCC(=O)O,0.02227320708334446
N[C@@H](C(=O)O)CS,0.6325245499610901
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.5324884653091431
CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.8713687658309937
Clc1ccc(c(c1)[N+](=O)[O-])C,0.41432467103004456
[O-][N+](=O)c1nc2c(n1C)cccc2,0.9915710687637329
OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.16487635672092438
[O-][N+](=O)c1cccc2c1cccc2C,0.9501131176948547
O=NN(CC(=O)C)C[C@H](O)C,0.959156334400177
Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8235899209976196
O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.17938116192817688
ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.1877659261226654
ClCc1ccc(cc1)[N+](=O)[O-],0.8667870759963989
C=Cc1ccccn1,0.2382756769657135
CSCC(C(=O)O)N,0.2051234245300293
C[C@@H](c1ccccc1)Br,0.09627094119787216
Cc1ccc(c(c1)S(=O)(=O)O)N,0.6364719271659851
Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.5731661915779114
C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.020532771944999695
O=Cc1cccc(c1)c1ccccc1,0.2374022752046585
Nc1ccccc1,0.6751158237457275
O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.3963869512081146
OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.0074639394879341125
[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.6715099811553955
CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.034158654510974884
[O-][n+]1cccc2c1cccc2,0.18468880653381348
c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8480690717697144
NCCNCCN,0.5965990424156189
ClC[C@@H](CBr)Cl,0.972137451171875
OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.7417821884155273
CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.9116972088813782
O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.9911118745803833
O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.8441271781921387
Cc1ccccc1O,0.1949944794178009
CN(C(=O)OCC)N=O,0.9857722520828247
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.23514601588249207
O=C1NS(=O)(=O)c2c1cccc2C,0.05018762871623039
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,0.0013933805748820305
OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.16851988434791565
COc1ccc(cc1N)C,0.7017260789871216
O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9605253338813782
NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.30568116903305054
C/C=C/c1ccc(c(c1)OC)O,0.16732318699359894
COc1ccc(cc1)N.Cl,0.8381921648979187
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.010710557922720909
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,5.9363133914303035e-05
OC(=O)c1ccccc1C(F)(F)F,0.14824867248535156
CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.02243060991168022
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6293547749519348
c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.980868935585022
Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.9188928604125977
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.0006022872985340655
CCC/C=N\O,0.48006922006607056
CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.007618035189807415
OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.0031184949912130833
C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.6550415754318237
CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.0023101449478417635
C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9854843020439148
COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.0431930236518383
O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9757800102233887
Clc1cccc(c1O)Cl,0.06464646756649017
ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.26741495728492737
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.9962925910949707
COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9631128311157227
Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.9488182067871094
CCN(CC)N,0.6659232378005981
Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.16845808923244476
[O-][N+](=O)c1cccc2c1csn2,0.9312396049499512
CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.9981001019477844
N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.9854148626327515
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9955419301986694
CCCCCO,0.04033791273832321
OC(C(Cl)(Cl)Cl)O,0.32414641976356506
CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.5702527165412903
CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.997180163860321
ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.9738717079162598
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.027567217126488686
Nc1ccccc1Cl,0.6019380688667297
[O-][N+](=O)c1c(C)ccc2c1cccc2,0.5234670639038086
O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8399372100830078
NC(=O)Nc1nc2c([nH]1)cccc2,0.1141190379858017
CCNN=NCC,0.8830887675285339
Fc1cc(F)c2c(c1)nccc2,0.9541844129562378
c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.9846135973930359
CCSCCSP(=O)(OC)OC,0.4891746938228607
CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.057228755205869675
COCCl,0.36318981647491455
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5021237730979919
CC(=O)Nc1ccccc1,0.5033686757087708
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.503097414970398
OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.05344714969396591
COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.5874063968658447
NCC(=O)O,0.0738384947180748
NCCc1ccc(c(c1)O)O,0.4066929817199707
c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.904168963432312
Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9203516840934753
O/N=C(/c1ccc(c(c1)O)O)\N,0.7443739175796509
O1CC1Cc1ccccc1,0.9606590270996094
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.8141348958015442
OC(=O)c1ccccc1O,0.112234927713871
ClC(=O)c1ccccc1C,0.9427253603935242
CC(O[P@@](=O)(F)C)C,0.03825310990214348
Nc1ccc(c(c1)[N+](=O)[O-])O,0.832114577293396
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.9831128120422363
Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.8314286470413208
ONc1cc[n+](c2c1cccc2)[O-],0.6549721360206604
[O-][N+](=O)c1cccc2c1cccc2,0.9437569379806519
S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7218695282936096
OCCS,0.4757557511329651
Fc1ccc2c(c1F)cccn2,0.7749924063682556
CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.4622836709022522
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,0.7393594980239868
ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.989436149597168
CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9940521121025085
CC(=O)Nc1cccc(c1)C,0.543245792388916
[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8765943646430969
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.031408991664648056
CCCCNc1snc2c1cccc2,0.05440147966146469
O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.029948988929390907
[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9134333729743958
O=NN1CCC(=O)NC1=O,0.9795401692390442
CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.9913484454154968
O=NN1CCNCC1,0.9668906927108765
Cc1ccc(o1)C,0.23146554827690125
Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8827493786811829
c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.8429574966430664
Oc1ccc2c(c1N)cccc2.Cl,0.5893794298171997
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.1514262557029724
[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9865511655807495
CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.9048223495483398
CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.03676825761795044
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.0005431081517599523
c1ccc(cc1)Cc1ccccc1OCC1CO1,0.8870668411254883
SCc1ccccc1,0.2358764410018921
OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.011813348159193993
COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.2835833728313446
CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.015795331448316574
CCCNc1snc2c1cccc2,0.06380407512187958
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.995453953742981
COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9747626185417175
ClC[C@H](Cl)C,0.9293922185897827
C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,0.8014593124389648
ClCC(=O)c1ccc(cc1Cl)Cl,0.49330106377601624
CN1CCOCC1,0.058891694992780685
O=C1CC=C(O1)C,0.3155149221420288
CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.014926184900105
Cc1ccc(cc1)[C@H]1OC1,0.65870600938797
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.006647057831287384
CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.00019397292635403574
c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.9135751724243164
OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,0.27314671874046326
O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.16720235347747803
OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.7568575739860535
CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.8974214792251587
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.893878161907196
Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.9812029004096985
OCCc1ccccc1[N+](=O)[O-],0.4797126352787018
NC(=O)NO,0.3997857868671417
Ic1cccc(c1)[N+](=O)[O-],0.5119345784187317
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,0.8206774592399597
Brc1cccc(c1)c1ccccc1,0.2434995472431183
C1CCCC1,0.21364550292491913
CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.7553611993789673
[O-][N+](=O)NC(=N)N(N=O)CCC,0.9871180653572083
OC(=O)c1ccc(o1)[N+](=O)[O-],0.9792474508285522
ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.5809401273727417
ClCC(F)(F)F,0.3011496663093567
BrC(C1=C(Br)C(=O)OC1O)Br,0.988134503364563
Clc1nncc2c1nccc2,0.26870283484458923
OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.9211685061454773
c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.9418865442276001
O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9395824670791626
c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9408725500106812
Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.10771346092224121
[O-][N+](=O)[C@@H](CC)C,0.32832011580467224
CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9605836868286133
[O-][N+](=O)[CH-]CCC,0.06916105002164841
CCCCOC(=O)c1ccc(cc1)N,0.035760682076215744
Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.6906980872154236
O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.03061072528362274
O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9000846743583679
COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.07369150221347809
C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.03107660636305809
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.04517534002661705
O=c1cn[nH]c(=O)[nH]1,0.9474852681159973
OCC[N+](C)(C)C,0.08233115822076797
CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7375309467315674
[Al]#P,0.35450536012649536
Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.8152279853820801
COc1c2ccccc2[n+](c2c1cco2)[O-],0.8272629976272583
OCc1ccc(cc1N)[N+](=O)[O-],0.9182561635971069
C(C[C@@H]1OC1)CC[C@@H]1OC1,0.6235802173614502
O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.5217715501785278
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.963121235370636
C[n+]1cccc(c1)C(=O)O,0.07313413918018341
COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.0277943704277277
C[C@H](C(=O)N)Br,0.9011241793632507
CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.10598520934581757
Oc1cc(Cl)cc(c1)Cl,0.04649658501148224
[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9947236180305481
Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.03032832406461239
Nc1ccc(c(c1)N)Cl,0.8540730476379395
CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.011235443875193596
O=S1(=O)OCCCO1,0.9529705047607422
O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9959478378295898
CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.272470623254776
OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.0019039796898141503
ONc1ccc(cc1)c1ccccc1,0.91192626953125
Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.2651476562023163
[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0.15948189795017242
OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.2517457604408264
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.2284892499446869
OCC(=O)CO,0.3806932270526886
Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.9471582174301147
Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.034989241510629654
OCCCNP(=O)(N(CCCl)CCCl)O,0.994295597076416
COC(=O)C=C,0.1779356598854065
CC(c1ccccc1)N(C)C,0.08669433742761612
C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.4235190451145172
CC(Nc1nc(N)nc(n1)Cl)C,0.0072944858111441135
Nc1sc2c(n1)cc(c(c2)C)C,0.5182209610939026
C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.34277021884918213
Oc1[nH]cnc2-c1cnn2,0.17004093527793884
[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9849568605422974
CN(CCOC(=O)C(=C)C)C,0.03459955006837845
CC1=CC[C@@H](CC1)C(=C)C,0.007998108863830566
ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.30644455552101135
OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.11733551323413849
O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.6700572371482849
O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.2711716294288635
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,0.6312603950500488
OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.001170603558421135
[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.742233157157898
CN(c1ccc(nn1)NN)C[C@H](O)C,0.6899773478507996
CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.9056239128112793
C/C=C/Cl,0.745583176612854
CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.009024063125252724
[O-][N+](=O)c1cccc2c1snc2Cl,0.9861773252487183
ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9672757983207703
CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.0006642179796472192
Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9929963946342468
CSCCl,0.1767413318157196
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)cccc2,0.9861982464790344
CCOc1ccc(cc1)N=O,0.8825557827949524
CCl,0.3613851070404053
ONc1ccc(cc1)/N=N/c1ccccc1,0.9201726913452148
CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.19560256600379944
CC(CCOC(=O)/C=C\c1ccccc1)C,0.02682955004274845
COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9066739082336426
CNc1ccc(cc1)/N=N/c1ccccc1,0.7700290679931641
O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.8500971794128418
c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.2674878239631653
O=Cc1c(Cl)cccc1Cl,0.2186061441898346
Clc1ccc(c(c1)O)Cl,0.037941526621580124
Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.4886443614959717
c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9988294839859009
FC(I)(F)F,0.3548569977283478
Clc1cccc(n1)C(Cl)(Cl)Cl,0.30143576860427856
N1CCc2c(C1)cccc2,0.32159072160720825
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.03058989904820919
CCCCCN(CCCCC)CCCCC,0.03721620887517929
CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.9422706365585327
On1nnc2c1cccc2,0.08901592344045639
Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.7448920011520386
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.5527404546737671
CN1CCN(CC1)C,0.20934522151947021
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9913655519485474
C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7835044860839844
NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.009540492668747902
O1CCOCCOc2c(OCCOCC1)cccc2,0.0924057587981224
O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.3664403259754181
O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.9969760179519653
C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.0018500167643651366
Cc1ncc[nH]1,0.38761401176452637
CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.6861938834190369
C1O[C@H]1C=O,0.6039294004440308
OCCCl,0.6573160886764526
CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.9272345304489136
Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.3570880889892578
COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.1905406266450882
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.970563530921936
Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.8855497241020203
Nc1cc(nn1C)C1CC1,0.433768093585968
Nc1cccc(c1C)N,0.8521329760551453
ClCCOC(=O)Cl,0.9157406091690063
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.0018058676505461335
Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.017897462472319603
CC(Nc1nc(O)nc(n1)O)(C)C,0.014047609642148018
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,9.01196472113952e-05
Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.1483909785747528
Cc1ccccc1,0.21561646461486816
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.005320854485034943
COC(=O)c1ccccc1N,0.265332967042923
[O-][N+](=O)c1ccccc1O,0.23173360526561737
[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.8721696734428406
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,0.9054828882217407
OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.0010386963840574026
CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.013118905946612358
Clc1ccc2c(c1)cccn2,0.5858527421951294
OC(=O)COc1ccccc1,0.07598820328712463
CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.9894415140151978
O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.04587741196155548
O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9632576107978821
Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.5440294146537781
CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.9477365612983704
OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.24315178394317627
CC(=O)OCN=[N+](C)[O-],0.568827748298645
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.7469543218612671
O=Nc1ccc2-c3c(Cc2c1)cccc3,0.9736238718032837
O=C1C=CC(=O)O1,0.4175509512424469
[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.9349167943000793
O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.018618980422616005
[O-]P(=O)(OC)O,0.37098655104637146
OCC(CBr)(CBr)CBr,0.6038914918899536
CCC(CC(CC(Cl)C)Cl)Cl,0.42949849367141724
CCOC(=O)N(CCOC(=O)C)N=O,0.9941225051879883
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.1281944066286087
[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9984093904495239
Nc1ccc(cc1)S(=O)(=O)O,0.2941003441810608
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.9284543991088867
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.36415165662765503
Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8851698040962219
Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.23099598288536072
Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.9632102847099304
[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.955386757850647
C1C2SCC=CN2C1=O,0.18572723865509033
Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.809593677520752
NC(=N)N,0.5154644250869751
CNC1Cc2cccc3c2c(C1)ccc3,0.8347533941268921
OC(=O)c1cccc2c1nccc2,0.22103281319141388
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.014382603578269482
[O-][n+]1ccc(cc1)[N+](=O)[O-],0.32312265038490295
CCOP(=O)(OCC)OCC,0.21765919029712677
Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8742159605026245
CCOCOCC,0.24196620285511017
C/C(=N/O)/CC,0.9004021883010864
[O-][N+](=O)c1ccc2c(c1)cccn2,0.9658979177474976
NCCc1c[nH]c2c1cccc2,0.3987269401550293
ONc1ncnc2c1nc[nH]2,0.9765502214431763
OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.5487076640129089
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.17024047672748566
NC(=O)CCCCC(=O)N,0.3646450340747833
COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8448570370674133
NNC(=O)CNc1ccc2c(c1)cccc2,0.7525174021720886
ClC(c1ccccc1)(Cl)Cl,0.9176487922668457
CCCOC(=O)c1cc(O)c(c(c1)O)O,0.010008208453655243
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.3698410391807556
ClCCOCCCl,0.7505027651786804
Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9075311422348022
CN(c1ccccc1)C,0.5375784039497375
OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.01745935156941414
OC(=O)C(Oc1cccc2c1cccc2)C,0.10115043818950653
Oc1ccc(c(c1)C(C)(C)C)O,0.012475675903260708
NCCCl,0.7957119941711426
CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.9696542024612427
CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9991019368171692
COC(=O)C1OC1c1ccccc1,0.0683603435754776
NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.017376909032464027
C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.986224353313446
COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.9721032381057739
CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9186428785324097
O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.27979689836502075
c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.9886188507080078
CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.8698895573616028
CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9708231687545776
Cc1cccc(c1)N,0.43494778871536255
CC(COC(=O)C=C)O,0.14575226604938507
CCCCCCCCCCCC[C@H]1CO1,0.3157044053077698
ClC1CCN(CC1)N=O,0.9856209754943848
NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9926968812942505
O=C1C=C(O)C(=O)c2c1cccc2,0.5749114751815796
CCCCCCCCCC=C,0.054734401404857635
[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9831184148788452
OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.01961893029510975
Oc1ncnc2c1cccc2,0.10946661233901978
OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.9806642532348633
[O-][N+](=O)c1ccccc1Nc1ccccc1,0.5311910510063171
Oc1cccc2c1C(=O)c1ccccc1C2=O,0.8380672335624695
O=C(c1ccccc1O)Oc1ccccc1,0.06470760703086853
Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,0.9776614904403687
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,0.002947693457826972
Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8884461522102356
CN(C)C,0.3235015273094177
Cc1ccc(c2c1c1ccccc1[nH]2)C,0.841630756855011
O=Nc1ccccc1C,0.6932233572006226
O(CC1OC1)CCOCC1OC1,0.9498344659805298
OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.31525641679763794
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,0.0001928754209075123
CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.08107432723045349
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.99883633852005
O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.005808019079267979
CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9862829446792603
BrC([N+](=O)[O-])(Br)Br,0.5388096570968628
CC(=O)CCC(=O)C,0.04171338677406311
ClCc1ccc(cc1)F,0.5072933435440063
Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.3386319577693939
OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.0010030011180788279
CC(NCC(c1ccc(c(c1)O)O)O)C,0.04373970627784729
O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.7901087999343872
N#N=Nc1nc2c([nH]1)cccc2,0.85319983959198
OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9913655519485474
c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.5593165159225464
CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.03540362790226936
Nc1cccc2c1C(=O)c1ccccc1C2=O,0.9303814768791199
CC(=O)OCc1c2ccccc2cc2c1cccc2,0.9202364087104797
Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.5849400758743286
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.9040341377258301
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+],0.00042581852176226676
O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.2077905684709549
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.16636744141578674
OCC(=O)N(c1ccc(cc1)Cl)O,0.4727219045162201
Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.952400803565979
COCCOC(=O)C=C,0.22293135523796082
CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.736596941947937
CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.005397553090006113
O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.7465307712554932
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.1464506983757019
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.0005985634052194655
OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.8674473762512207
ClC(C(Cl)(Cl)Cl)Cl,0.3133809268474579
O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.3761821389198303
COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.13976767659187317
OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.0006581988418474793
CC(=O)N(c1ccccc1C)O,0.2990742027759552
ClC(=O)c1c(Cl)cccc1Cl,0.8444039225578308
Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.7976858615875244
[O-][N+](=O)c1ccnc2c1cccc2,0.9484800100326538
Clc1cc(Cl)nc(n1)N,0.10729537159204483
CC(=O)OC=C,0.1674509346485138
OC(=O)/C=C/C(=O)CC(=O)C,0.009965148754417896
ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9344571232795715
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.1199120506644249
COC(=O)c1ccc(cc1)O,0.06264237314462662
OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.32200127840042114
ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.529731273651123
Oc1cc2nnsc2c(c1)C(=O)O,0.3437267243862152
COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.7202309966087341
CC1OC(C)CN(C1)N=O,0.9875062704086304
O=c1[nH]cc(cc1O)C(F)(F)F,0.18115925788879395
Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8693320155143738
Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9189467430114746
C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.023229166865348816
OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.2898574471473694
OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.025465596467256546
O=CC(=C(C)C)Cl,0.8889223337173462
[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.9314802289009094
OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.007479461841285229
COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.7249539494514465
COc1nsc2c1cccc2N,0.9762017130851746
OCCOCCO,0.15199510753154755
C=CC(=O)NCCC[N+](C)(C)C,0.0649934858083725
Nc1cccc2c1cccn2,0.904513955116272
CN1CCNCC1,0.18900874257087708
OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.9404004812240601
CNC(=O)ONC(=O)NC,0.2665768265724182
OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.7545616030693054
[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.12185527384281158
CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.8139967918395996
O=NN(CCCC(=O)c1cccnc1)C,0.9930419921875
Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9890300631523132
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,0.004628320690244436
Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.04465917497873306
CCCCOc1ccc(cc1)N=O,0.7112280130386353
Clc1cc(Cl)c(cc1Cl)Cl,0.08838002383708954
CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.013028718531131744
OC(=O)O.[Na+],0.049799107015132904
COc1ccc2c(c1)sc(n2)N,0.7770010232925415
Cc1ccc(o1)C=O,0.8465390205383301
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,0.004666351713240147
Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9221970438957214
OCc1c2ccccc2cc2c1cccc2,0.6751806735992432
Nc1ccc(cc1)Cl,0.5364095568656921
CC(OOC(C)(C)C)(C)C,0.16217151284217834
CC(NC(C)C)C,0.12802442908287048
NNC(=O)c1ccncc1,0.4401158392429352
Cc1cc2cccnc2c(c1)C(=O)O,0.3906041085720062
ONC(=O)Cc1cn(cn1)N=O,0.9557530283927917
CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.033063530921936035
[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.7200532555580139
COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.19951923191547394
Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.08336608856916428
CNC(=O)ON.Cl,0.8299294710159302
c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9862845540046692
NC(=O)c1cnccc1C(F)(F)F,0.016342855989933014
N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.03910176455974579
OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.0287452582269907
CCCCN(CCCCO)N=O,0.9385627508163452
CCN(C(=O)N)N=O,0.9674383401870728
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.5726426839828491
O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.0019198848167434335
Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.10928672552108765
C1CCO1,0.2660551071166992
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.00344627583399415
C1CCCCCC2C(CCCC1)O2,0.18414096534252167
[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.9035629034042358
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.17001235485076904
CCC/C=C/C=O,0.8008530735969543
Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.994176983833313
ClCCNC(=O)N(CCCl)N=O,0.9988006353378296
Nc1ccc(cc1)c1ccc(cc1)N,0.8742159605026245
Fc1ccc2c(c1)sc(n2)O,0.6873196363449097
OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.9824182391166687
O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.984056830406189
O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.7693943977355957
C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.9804443120956421
[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.5153740644454956
[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.47230464220046997
COCCOCCOC,0.40931931138038635
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.9986637234687805
[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.14179496467113495
O=CC=C(C)C,0.7825093865394592
CNC(=O)N(c1nc2c(s1)cccc2)C,0.3058922290802002
Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.8146276473999023
C[C@@H]1O[C@H]1c1ccccc1,0.6930612921714783
OC(C(F)(F)F)C(F)(F)F,0.0724218338727951
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.00634979922324419
CC(CCCCCCCOC(=O)C(=C)C)C,0.006218520924448967
C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.18892629444599152
CCc1nccc(c1)C(=S)N,0.4015313982963562
OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.0016868805978447199
Nc1nc(O)c2c(n1)nn[nH]2,0.0075880601070821285
COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.09277291595935822
C=CC(=O)OCC(COC(=O)C=C)(C)C,0.06793887913227081
c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9700334668159485
OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,0.1413944661617279
CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.951123833656311
COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.7063899040222168
OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,0.033049315214157104
c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.12111134827136993
COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.6427401304244995
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.07738371193408966
NC(C(=O)O)CSC(C(F)F)(F)F,0.30994051694869995
O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.005232148803770542
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.054924916476011276
c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8640786409378052
OCCNCCO,0.38466647267341614
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.027461400255560875
Cc1cc(C)nc(n1)N,0.04934775084257126
OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.5032137036323547
NCN,0.3564550280570984
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.024714453145861626
CC(C(O)C)O,0.14226481318473816
OC(=O)c1ccccc1N,0.4499203562736511
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.03518976271152496
C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.2381027638912201
O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.14487452805042267
OC(=O)/C=C/Cl,0.2525424361228943
BrC(=C)C(=O)O,0.7196478843688965
c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8410900235176086
Cc1ccc(c(c1)C)O,0.13880395889282227
Nc1nc2c(s1)ccc1c2cccn1,0.6219008564949036
C1CN2CCN1CC2,0.26758304238319397
CSC(=O)c1cccc2c1snn2,0.6186798214912415
COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.46847420930862427
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.07177237421274185
CC(=O)OCc1ccccc1,0.46351176500320435
Nc1ccc2c(c1)cc1c(c2)cccc1,0.947867751121521
CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.39133018255233765
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.977206826210022
Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.0012782837729901075
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,0.003767079906538129
NNS(=O)(=O)c1ccc(cc1)C,0.11773107200860977
Nc1ccc2c(n1)n1cccc(c1n2)C,0.9655658602714539
Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.2527812719345093
O=C1CCCC=C1,0.5334049463272095
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.22372552752494812
O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.12155808508396149
OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.888625979423523
OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0.2379554808139801
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.3296239674091339
Cl[C@H]1O[C@H]1CBr,0.9598957896232605
O=C1NC(=O)C(=C1Cl)Cl,0.7714676260948181
Oc1nc2c(C)cccc2nc1O,0.5216867923736572
CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.6198328733444214
FC(C(Cl)(F)F)(Cl)F,0.1705014407634735
NC1c2ccccc2-c2c1cccc2,0.5358027219772339
CN(Cc1ccccc1)C,0.3966294825077057
CC(=CC1C(C1(C)C)C(=O)O)C,0.06689159572124481
CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.706376314163208
OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.39363110065460205
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.016541266813874245
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.849709689617157
Nc1cnc2c(c1)nc1n2cccc1,0.9738261103630066
Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0004588122828863561
OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.663533627986908
Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.018996911123394966
CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8665388226509094
OC(=O)CCCOc1ccc(cc1Cl)Cl,0.02976173721253872
CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.1477930247783661
Nc1c2ccccc2nc2c1cccc2.Cl.O,0.7699300050735474
ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.25292569398880005
CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.9689444303512573
CN1CCC(=CC1)c1ccccc1,0.1987188756465912
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.03645548224449158
COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.7305010557174683
Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.02545856311917305
Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.03841511532664299
c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9862845540046692
O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.8281087875366211
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,0.00084718968719244
COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.035354096442461014
COc1cccc2c1nc(s2)N,0.28834113478660583
Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.8851819038391113
c1ccc2c(n1)c1[nH]ccc1cc2,0.7342551946640015
CC(=O)Nc1cccc(c1)O,0.2693236470222473
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.023425670340657234
ONc1cc(C)ccc1C,0.880022406578064
COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.7031224966049194
Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.8818790316581726
Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9929928779602051
CC(=O)Oc1ccccc1C(=O)O,0.009346512146294117
C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.026044290512800217
OC1C2OC2c2c(C1O)ccc1c2cccn1,0.5180052518844604
CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9705273509025574
OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9594380259513855
CN(C(=N)N(C)C)C,0.44816797971725464
OC(=O)C(F)(F)F,0.09272690117359161
CCCCN=NC(OO)(C)C,0.43292587995529175
O=NN(CC(=O)COC(=O)C)C,0.9748121500015259
O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.9645703434944153
Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.6751239895820618
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.1295357495546341
CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.9968608021736145
CC(=O)CCOOCCC(=O)C,0.03562185913324356
C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.23659881949424744
CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.17117571830749512
O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.004475576337426901
COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.9039422273635864
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,0.9145720601081848
NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.8659512400627136
c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9780923128128052
NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.82081538438797
Fc1ccc(c2c1ccc1c2nccc1)F,0.8090835809707642
CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.07363410294055939
OC(=O)c1cnccc1C(F)(F)F,0.019554246217012405
CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.007949015125632286
Cc1ccc(c(c1)O)O,0.3548775315284729
CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.806738555431366
[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9913345575332642
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.009118271060287952
NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9870859980583191
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.026641666889190674
[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9552682638168335
COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.9615876078605652
COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.634800136089325
CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.7186190485954285
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.017042705789208412
COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.23962187767028809
Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9662456512451172
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.19272707402706146
CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9861443638801575
CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.004608874209225178
Clc1cncc(c1)Cl,0.011174788698554039
C[C@@]1(CO1)[C@H]1CO1,0.9575302004814148
CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.5106862783432007
Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9904278516769409
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,0.0610012523829937
Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.9425588846206665
Cc1c(C)ccc(c1C)C,0.32977068424224854
BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.4886443614959717
Cc1ccc(cc1)C(C)(C)C,0.0278894305229187
c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.9897252321243286
Nc1cccc(c1)c1ccccc1,0.9006427526473999
NC(=O)c1cccc(c1)[N+](=O)[O-],0.7651325464248657
CCCCN(C(=O)N)N=O,0.9391123056411743
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,0.014431370422244072
[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.4972139298915863
OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.9352534413337708
c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.05303030461072922
Clc1cccc(c1NC1=NCCN1)Cl,0.46078354120254517
OC(=O)c1cccc(c1)[N+](=O)[O-],0.64806067943573
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.4650615155696869
OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.9530647993087769
Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9837560653686523
CCCCN(CCO)N=O,0.9830672144889832
CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.9152771830558777
ONc1cc(ccc1C)[N+](=O)[O-],0.9817099571228027
CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.83856600522995
ClC([C@H]1OC1)(Cl)Cl,0.8984163403511047
O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.002694088267162442
BrCBr,0.36008819937705994
Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.04222909361124039
Nc1cccc(n1)N,0.5880919694900513
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.9909259676933289
OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.806916356086731
NC(=O)CBr,0.31816306710243225
Clc1nc2ccccc2nc1Cl,0.2012580931186676
O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.9649686813354492
CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.7932800054550171
OC(=O)Cc1ccc(cc1)NC(=O)C,0.3489469885826111
CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.005685779266059399
ONc1ccc(cc1)[N+](=O)[O-],0.9807378649711609
O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.28169092535972595
O(Cc1ccccc1)CC1OC1,0.9526499509811401
CCN(C(=N)N[N+](=O)[O-])N=O,0.990350067615509
Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.9369238018989563
CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.1464477777481079
Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.006248227320611477
COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9476969838142395
CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9995036125183105
CN1CCN=N1,0.9407520294189453
CCCCOO,0.775656521320343
OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.044984061270952225
CC(=O)OCc1ccc2c(c1)OCO2,0.6126919984817505
Cl[C@@H]1CO1,0.37484002113342285
Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.28574591875076294
BrCC(CBr)Br,0.7944054007530212
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9571746587753296
CC[S@@](=O)CCSP(=O)(OC)OC,0.8457845449447632
O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.8257315754890442
OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.6899373531341553
ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.8889797925949097
CN1C=CN(C1/C=N/O)CCOCC#C,0.031710878014564514
Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9613285064697266
Clc1ccc(c(c1)Cl)N,0.3271762728691101
Cc1cccnc1,0.14188984036445618
CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6504534482955933
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.3698410391807556
COc1cccc(c1)[N+](=O)[O-],0.9032168388366699
OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.48555198311805725
[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.8643439412117004
c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9054306149482727
CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.42087322473526
CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.9867607355117798
COc1cc(Cl)nnc1c1ccccc1,0.08517419546842575
CN(N=Nc1ccccc1)C,0.8858669996261597
ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.5622738003730774
NCCNCC,0.5319455862045288
CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.00469101220369339
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.118929423391819
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.07560475170612335
Nc1ccc(cc1)CCc1ccc(cc1)N,0.8341938257217407
N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.0432283990085125
CCN1CCOCC1,0.04152913764119148
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.920492947101593
O=C/C=C/c1ccccc1Cl,0.19488103687763214
Nc1cccc2c1nccc2,0.8627595901489258
CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9544278979301453
[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.6859008073806763
O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.3615036606788635
ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.9486371278762817
CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.14848923683166504
CCN(N=O)CC,0.9678570032119751
Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9968141317367554
Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9495447278022766
[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.14191575348377228
Sc1ncnc2c1[nH]cn2,0.9092680811882019
CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9955113530158997
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.04577387496829033
CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.8740822076797485
Nc1c(C)n(n(c1=O)c1ccccc1)C,0.8884526491165161
[O-][n+]1ncc2c(c1)cccn2,0.049734294414520264
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0.1236000657081604
CCN(N(N=O)O)CC,0.9419010281562805
O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.928383469581604
O=C1C=CC(=O)C(=C1)C(C)(C)C,0.06499497592449188
O1CC1,0.30851513147354126
COc1cccc(c1)N,0.851218581199646
CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.028888648375868797
c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9957531690597534
Cc1nccnc1C,0.19824528694152832
Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.017858093604445457
OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.14132317900657654
COc1ccc2c(c1)[nH]c1c2CC[N@@]2[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,0.002092739101499319
N#CC(N=NC(C#N)(C)C)(C)C,0.0560518316924572
[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.9547533988952637
CCN(c1ccc(cc1)N)CC,0.724685549736023
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9947616457939148
CCCCCC(=O)O,0.021604333072900772
COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.8182274103164673
CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.5090841054916382
O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8349733352661133
CC[Si](CC)(Cl)Cl,0.3622126877307892
CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.046258799731731415
Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.01181098259985447
CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.1578017622232437
C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.021809177473187447
CCCSSCC=C,0.16330686211585999
c1cc(cc(c1)c1ccccc1)c1ccccc1,0.6618914604187012
CCC(Nc1snc2c1cccc2)C,0.07780343294143677
ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.7334659695625305
COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.0010560478549450636
CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9709745645523071
CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8665388226509094
O=NN1CCCCCC1,0.9746249914169312
CCCCOc1ccc(cc1)CC(=O)NO,0.32905274629592896
CCCCOCCO,0.031087633222341537
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9543860554695129
OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.013406030833721161
c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8267874717712402
NNc1ccccc1[N+](=O)[O-],0.9141989946365356
CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.01059762854129076
CCCCC,0.06285883486270905
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9078556299209595
N[C@H](C(=O)O)CSCc1ccccc1,0.20080211758613586
O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.9849165081977844
CCCCCC(=O)OCC=C,0.016875043511390686
Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.526269257068634
C=Cc1ccc(cc1)[N+](=O)[O-],0.5306912064552307
BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.9172990918159485
CCCCCCCC(=O)Nc1snc2c1cccc2,0.04752989858388901
NNC(=O)N,0.39994016289711
Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9201682806015015
Nc1ccc2c(c1)ccc1c2cccc1,0.9633476138114929
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.7452651858329773
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.04032031446695328
O=C/C=C\c1ccccc1,0.2285853624343872
[O-][N+](=O)c1cc2c(N)snc2cc1,0.991889476776123
C=Cc1ccccc1C=C,0.10122797638177872
O=S1(=O)CCCC1,0.29270562529563904
CC(CC(=O)Nc1ccc(cc1)O)O,0.12121360003948212
COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.9234393835067749
Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5654251575469971
c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.997947096824646
Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.550491452217102
c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.8452447056770325
Fc1ccc2c(c1)sc(n2)C(O)C,0.4350346624851227
C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.9012395739555359
Cc1ccc(c(c1)O)C(C)C,0.06553062051534653
C=CCNCC=C,0.17359915375709534
OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.827445387840271
CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.9206218719482422
CC(=O)/C=C/c1ccco1,0.3040274679660797
Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.4583374857902527
COc1ccc(c(c1)OC)N,0.9427841305732727
COc1ccc2c(c1)[nH]c1c2ccnc1C,0.841404914855957
OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.058256249874830246
Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7553201913833618
CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.9802648425102234
C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.38955631852149963
CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.3902422785758972
CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.8277766108512878
CCCCCCCCOc1ccc(cc1)C(=O)O,0.011511682532727718
Cc1ccc(cc1)C,0.2702237367630005
[O-][N+](=O)c1c(N)cccc1O,0.880480945110321
CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)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)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0.00018280207586940378
ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.7423901557922363
ClCBr,0.3565821349620819
CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.01931878551840782
COc1c2OCOc2cc2c1nc1occc1c2OC,0.39268070459365845
[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7289101481437683
CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.8403612375259399
OCC(C1OC(=O)C(=C1O)O)O,0.09097382426261902
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9915951490402222
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.015055360272526741
Cc1ccc(cc1)C(N)C,0.3455349802970886
c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9890119433403015
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,0.11442430317401886
Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9917298555374146
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,0.998492419719696
Nc1ccc(c(c1)S(=O)(=O)O)N,0.31788745522499084
COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.5428023338317871
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9946572184562683
Cc1ccc(cc1)C(O)(C)C,0.10387422144412994
NC1CC(C)(C)N(C(C1)(C)C)O,0.12950971722602844
CCCCN(CC[C@H](O)C)N=O,0.8706313967704773
CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.2631523311138153
COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.7781063318252563
[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9937636256217957
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,0.01062331534922123
OC(=O)c1ccccc1Cl,0.08016873151063919
Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.8239489793777466
OC(=O)C[C@@H](C(=O)O)C,0.13990263640880585
[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9671837687492371
CNNC,0.3185112774372101
Oc1cnnc(n1)O,0.055042244493961334
CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.47510606050491333
OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.05704609677195549
Cc1ccc2c(c1)nccc2,0.5301288962364197
N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.22499363124370575
Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.9468592405319214
CCCCN(COC(=O)C)N=O,0.9788535833358765
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.982979416847229
[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.7827765345573425
Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.9675698280334473
OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.3145785927772522
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.8701255917549133
CC1(C)C2CC3C(C1C2)(C)O3,0.010848206467926502
CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.004513762425631285
O=CN(c1ccc2c(c1)cccc2)O,0.589837908744812
Cl[Cu]Cl,0.35741907358169556
COC1OC1(C)C,0.735855221748352
CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.9236780405044556
O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.023441476747393608
Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8467367887496948
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.00018048535275738686
Clc1ccc(cc1)[N+](=O)[O-],0.6536667943000793
CCC(=O)Nc1snc2c1cccc2,0.21401762962341309
COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.34741973876953125
OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8844512701034546
CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.39691025018692017
OC1C=CC=CC1O,0.6245211362838745
O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9852306246757507
CCCCc1c(=O)nc([nH]c1C)NCC,0.010448629036545753
CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.5036255717277527
O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.25171518325805664
BrCC#N,0.38736170530319214
CC(COS(=O)(=O)c1ccc(cc1)C)C,0.7719854116439819
Nc1cccc2c1c(=O)[nH][nH]c2=O,0.3326096832752228
O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9287115335464478
COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.08971630036830902
CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.09045831859111786
BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.8877027630805969
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.3441070318222046
OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.9858094453811646
COc1ccccc1c1ccccc1,0.5786542892456055
Nc1ccc2c(c1)c1ccccc1[nH]2,0.9465759992599487
COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.044091396033763885
Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.01344184298068285
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.19730925559997559
Nc1cccc2c1cc1ccccc1c2,0.8831630945205688
NN1C(=O)c2c(C1=O)cccc2,0.33423417806625366
CCOC(=O)CC(=O)C,0.010547500103712082
COC(=O)CC(=O)OC,0.10272921621799469
CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.667717456817627
CNC(=O)Nc1ccc(cc1)Br,0.016849465668201447
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]4O1,0.8733366131782532
CC(=O)Nc1cccc2c1nccc2,0.6080762147903442
CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.9712802767753601
CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.8914841413497925
CCC1OC1c1ccccc1,0.28771722316741943
O1CCOCCOCCOCC1,0.30851513147354126
Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.8136265873908997
CC(CO)Cl,0.9139386415481567
N#N=NCCC(C(=O)O)N,0.98582524061203
Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.967974066734314
N[C@@H](C(=O)O)Cc1ccccc1,0.2672889530658722
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.44165492057800293
Cn1c(N)nc2c1c1cccnc1cc2,0.9739494323730469
OC(=O)c1c(N)cccc1N,0.332044780254364
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.3973340392112732
CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.7135987281799316
Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9552884101867676
Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.009811339899897575
CCCCOP(=O)(OCCCC)OCCCC,0.03561688959598541
O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.996222198009491
C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.8013471364974976
OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.014308536425232887
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.01582430489361286
[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.7038527727127075
OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.033928412944078445
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.046720944344997406
CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.04866613820195198
CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.025736764073371887
CCC1(C(=O)NCNC1=O)c1ccccc1,0.9089268445968628
Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.13216185569763184
OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.002090865047648549
ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9672757983207703
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8380672335624695
Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8588746786117554
CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.6508569121360779
O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9254725575447083
[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.34862393140792847
CCCON(C(=O)c1ccccc1)OC(=O)C,0.9809991717338562
O/N=C/C(=O)Nc1ccccc1,0.45777377486228943
ClN1C2C1c1ccccc1-c1c2cccc1,0.9198344945907593
CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.014359687454998493
[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.90617436170578
Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.7269737124443054
OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.6355613470077515
CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.39587828516960144
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.10793403536081314
[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.9734432101249695
CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,0.02060840092599392
c1ccc2c(c1)cc(cc2)OCC1CO1,0.9783746600151062
Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.043212614953517914
CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.00976625643670559
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.006655844859778881
[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.9292759895324707
O=C1C(=O)c2ccccc2-c2c1cccc2,0.5402147173881531
COP(=O)(O)O,0.24564072489738464
O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.13495635986328125
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,0.9673333168029785
CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.5132651925086975
O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.011480365879833698
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,0.00021469895727932453
C[C@H](CO)Cl,0.9022642970085144
COc1c(C(=O)O)c(O)nc2c1cccc2,0.37293967604637146
CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.21476984024047852
C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.1013067364692688
O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.52121901512146
CNc1c(C)cc2c(c1N)cccn2,0.9598311185836792
OC1COC(=C(C1=O)O)C,0.8491511344909668
Cc1ccc2c(n1)cccc2,0.24580416083335876
[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9990348815917969
Clc1cccc2c1cccn2,0.48762816190719604
[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9590117335319519
COc1cc(CCC(=O)C)ccc1O,0.1668158918619156
[O-]P(=O)=O.[Na+].[Na+],0.2588881850242615
Cc1nsc(c1)N,0.9198926091194153
Oc1nncc2c1cccc2,0.10223060846328735
Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.7316337823867798
O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.003011662047356367
Clc1ccc(c(n1)C(=O)O)Cl,0.018246106803417206
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9878223538398743
CC12OOC2(C)Oc2c1ccc1c2nccc1,0.9904967546463013
COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.7084665298461914
[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.9416707754135132
OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.8452809453010559
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.018658023327589035
CCOC(=O)CNC(=O)[C@H](Br)C,0.7385479807853699
NC(=O)Nc1ccc(cc1)C,0.2266092598438263
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.9548076391220093
OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,0.06590592861175537
COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.007264989428222179
CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.044644664973020554
N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.15538965165615082
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]2[N@@]3C[C@H](CC2)C)C)C1)C,0.0015076989075168967
Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.521896481513977
CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.6908348202705383
Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9414161443710327
CCC(C)(C)C,0.08031019568443298
CCCCCCCCCCCCCCCC(=O)O,0.022895175963640213
O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.8380999565124512
CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.021243035793304443
Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.9055258631706238
CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.7700619697570801
ClCCOP(OCCCl)OCCCl,0.34826141595840454
Nc1ccccc1S,0.6237369775772095
C=CCN1C2C1c1ccccc1-c1c2cccc1,0.8617512583732605
O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0.0023308424279093742
Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.05484868213534355
COc1cc(C=O)ccc1OC,0.1075124740600586
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.27351099252700806
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9869717359542847
c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9177080988883972
O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.033371951431035995
COc1ccc(cc1)C=C,0.16978587210178375
COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.9053927659988403
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.019441800191998482
CCNc1nc(NC(C)C)[nH]c(=O)n1,0.016726162284612656
N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9975944757461548
OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.35499200224876404
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,2.9388329494395293e-05
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,0.09657791256904602
Cn1c(N)nc2c1cc1cnccc1n2,0.4979483187198639
Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.13231328129768372
C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0.0025394281838089228
Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.060432661324739456
CC(CCOC(=O)C)C,0.12297408282756805
O=NN1CCC[C@@H](C1)O,0.9814446568489075
ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.2581688463687897
CC(C(C)C)C,0.2554788291454315
c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.801167368888855
O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.10286211967468262
CN(N=O)CCCC,0.9658149480819702
O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.6167568564414978
OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.0010623440612107515
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,0.19771666824817657
ClC(Br)(Cl)Cl,0.3580676019191742
[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9951400756835938
O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.018241601064801216
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9753001928329468
Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.13535454869270325
COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.9976202249526978
Nc1ccc2c(c1)nc1c(n2)cccc1,0.8986151814460754
[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.9778873324394226
Clc1ccc(c(c1)C(=O)O)Cl,0.14515072107315063
O=NN1CSCC1,0.600200355052948
Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9258778691291809
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.9758857488632202
Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.5078303217887878
C/C(=C\C=O)/Cl,0.6584203839302063
c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9986855387687683
Clc1cc(Cl)c(c(c1)Cl)Cl,0.04311845451593399
Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9476701617240906
O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.0051959846168756485
c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8458030819892883
Nc1cc2nc3ccccc3nc2cc1N,0.8505805134773254
CC(N)C,0.17732851207256317
[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9897639155387878
CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9961004257202148
N#CC1(O)CCCCC1,0.038690391927957535
ClCc1c2ccccc2cc2c1cccc2,0.8531554937362671
OC(=O)c1ccco1,0.041716016829013824
CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.9452410936355591
C=CC=O,0.5039718747138977
CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.7981951236724854
CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.7679605484008789
CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.41264742612838745
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,0.9783878326416016
ClCc1ccc(cc1)C,0.34810131788253784
OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.07890095561742783
CC1(OC1)c1ccc(cc1)c1ccccc1,0.9263219833374023
Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.029683882370591164
CCCC[C@H](COCCCN)CC,0.04508382827043533
ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.2984875738620758
OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.5961706638336182
NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.9389058947563171
COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.06662986427545547
CCCCCCCCCCCCN(N=O)C,0.9357351064682007
OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.31652653217315674
[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.958056628704071
O=C1NC(=O)C(=C(Cl)Cl)C1,0.7460963129997253
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8541985750198364
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.11185900866985321
ClCC(Cl)Cl,0.568428099155426
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)OCc1ccccc1,0.009132334031164646
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.8727723956108093
CN1CCC=C2C1CCc1c2nc(s1)N,0.32096990942955017
O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.01678258553147316
ClCC#N,0.2381431609392166
C=Cc1ccc(cc1)N,0.3754357397556305
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.03917594999074936
Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6092305183410645
O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.04164513945579529
CN(C(=S)SSC(=S)N(C)C)C,0.26010122895240784
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,0.049375735223293304
NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.008574518375098705
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.9616057276725769
Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.07618534564971924
Cc1ccc2c(c1)cc1c(c2)cccc1,0.6989721059799194
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,0.09385789930820465
NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9882637858390808
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9965014457702637
C1CCC2C(C1)c1ccccc1C=C2,0.6618475914001465
O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.012433563359081745
ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.97400963306427
CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.011967610567808151
OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.9472314715385437
N#N=NCC(C(C(C(CO)O)O)O)O,0.9922829866409302
[O-][N+](=O)CCO,0.3903915286064148
CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9528651237487793
[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8263656497001648
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.0019136971095576882
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,0.0015737877693027258
Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.5645118951797485
CCOP(=S)(SCCl)OCC,0.16084623336791992
Oc1ccccc1c1ccccc1,0.5635513067245483
Clc1nnc(c(c1)O)c1ccccc1,0.08643399178981781
COc1cccc(c1O)C=O,0.08137232065200806
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,0.22801423072814941
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.0049752178601920605
c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9408656358718872
OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,0.22728583216667175
CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.9384673833847046
CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.35086482763290405
Cc1ccccc1Cl,0.09315453469753265
O=N#Cc1cc(C)cc(c1)C#N=O,0.21263487637043
NC(=O)c1ccccc1C(F)(F)F,0.01352072972804308
C/C=C/c1ccc(cc1OC)OC,0.792110025882721
OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.9524590373039246
OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9687102437019348
C=CN=Nc1ccccc1,0.3466302454471588
CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.0006174753652885556
[O-][N+](=O)c1scc(c1)C(=O)N,0.9854644536972046
CCN(c1ccc(c(c1)O)N=O)CC,0.7153383493423462
c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.979892909526825
Oc1ccc(cc1)C(=O)O,0.06678099185228348
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9853752851486206
OC/C(=C(/CO)\Br)/Br,0.5116499662399292
NC(=O)Cc1cccc2c1cccc2,0.2642408311367035
c1nccs1,0.589331328868866
CC(=O)c1ccco1,0.1426946371793747
CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.010213444009423256
CSCNc1ccccc1,0.5387764573097229
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8955898284912109
COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.8534409403800964
OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9882991909980774
N[C@H](C(=O)O)CS/C=C/Cl,0.9062522053718567
Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.9517574310302734
O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.04439104348421097
OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.01960866153240204
CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.3017309606075287
C[N+](Cc1ccccc1)(C)C,0.05128645896911621
COC(=O)C1=CCCN(C1)N=O,0.8662330508232117
NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.016708603128790855
C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.113650843501091
[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.9936662912368774
ClCC(=O)Nc1c(CC)cccc1CC,0.7260736227035522
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9959318041801453
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9980922937393188
N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.12172968685626984
COP(=O)(SC)OC,0.3311789631843567
Clc1cnc2c(c1)cccc2,0.19816996157169342
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.006762754172086716
COC(=O)Nc1nc2c([nH]1)cccc2,0.24423475563526154
O=C=Nc1ccc(c(c1)N=C=O)C,0.6034795045852661
CCCCNCC,0.09306775033473969
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.01216249167919159
c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9209812879562378
Nc1ccccc1c1ccccc1.Cl,0.7719961404800415
CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9654951095581055
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.006163186393678188
NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.011172382161021233
CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.0018354672938585281
COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.191707044839859
CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.05796840786933899
ON1C(C)(C)CC(C1(C)C)C(=O)N,0.11214840412139893
CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.9916297793388367
C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.004093256779015064
Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7857749462127686
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.7453834414482117
C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.27715474367141724
CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.028985407203435898
N=C(NC(=N)N)NCCc1ccccc1,0.05695376545190811
COc1cc2cccnc2c(c1)[N+](=O)[O-],0.9661737680435181
COO,0.7800346612930298
Nc1ncn[nH]1,0.05540343374013901
Cc1ccc2c(c1)c(N)sn2,0.832516074180603
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9926111102104187
NNc1nncc2c1cncc2,0.7108890414237976
OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.02530115842819214
CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.7012959122657776
Fc1ccc2c(c1)c1ncccc1cc2,0.7761390805244446
CC(=C)C(=O)OCCO,0.05819948762655258
NC(=O)c1ccccc1,0.13177034258842468
Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7114211320877075
ClCC(C(=C)Cl)Cl,0.5357623100280762
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.5245925188064575
c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.9959022402763367
Clc1cc(Cl)c2c(c1O)nccc2,0.3515426814556122
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.005356737412512302
ClCC(CCl)Br,0.7122758626937866
N#Cc1cccc2c1nccc2,0.24727396667003632
O=C1CCCCCN1,0.15032193064689636
CC(Cl)(Cl)C,0.2713194489479065
Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.004279016517102718
Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.5610754489898682
COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.4537147581577301
COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.14685344696044922
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.9860386848449707
N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.9929572343826294
CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.0011676214635372162
CN(N=Nc1ccc(cc1)C(=O)O)C,0.7859814167022705
CNC(=O)N(C(=O)NC)O,0.40635961294174194
O=CC1=CCCC2(C1(C=O)C2)C,0.6174390912055969
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.009011787362396717
Clc1cccc(c1)Br,0.027440300211310387
Clc1cc(Cl)c(c(c1Cl)O)Cl,0.06002964451909065
Nc1c2ccccc2cc2c1cccc2,0.7371286153793335
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9842014312744141
CCCCCCCCCCC,0.07653915882110596
CCCN(CCC)CCC,0.07045136392116547
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.08260153234004974
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.07743668556213379
Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.587119460105896
Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.0029747800435870886
[N-]=[N+]=NCC(C(=O)O)(N)C,0.7389329075813293
O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.005246820859611034
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.6398653984069824
COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8731980323791504
N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.9716200828552246
CC[n+]1c2ccccc2nc2c1cccc2,0.9448868036270142
CC(=O)ON(c1ccccc1C)C(=O)C,0.9604681134223938
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,0.0016583751421421766
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,0.26338061690330505
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.9045626521110535
O=NN(C(=O)C)C,0.9660220146179199
CNC(=O)NC,0.4713767468929291
CCOC(=O)C,0.39637938141822815
N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.015238185413181782
O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.033371951431035995
OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.014742044731974602
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.0034172688610851765
c1ccc2c(c1)[nH]cn2,0.3277852535247803
CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.20887193083763123
[O-]P([O-])[O-].[K+].[K+].[K+],0.18596772849559784
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.005523608066141605
N#Cc1ccccc1C,0.07792183011770248
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.913644015789032
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.060672324150800705
OC(=O)C(=O)O,0.22649884223937988
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.004928169306367636
CN(C(=O)C#N)C,0.24455830454826355
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,0.0006270284065976739
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.14807985723018646
CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.972603976726532
OC(=O)Cc1ccccc1Cl,0.10741765797138214
CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.0007423732313327491
Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.017507174983620644
COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.5852195024490356
Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9356891512870789
O=NN(Cc1ccccc1)Cc1ccccc1,0.8296241760253906
CCCC(=O)OC1CCCCC1,0.05519021674990654
O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9855489730834961
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.07774362713098526
CN=C=O,0.12009880691766739
OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9861066937446594
O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.9345456957817078
CCCCCC(/C=C/C=O)O,0.5508700013160706
CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.2030227929353714
OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.006049768067896366
OC(=O)O.N,0.043232280761003494
CC(=O)C(=O)C,0.22716549038887024
Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.38385921716690063
Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.9940699338912964
COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.9950822591781616
[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.03514765575528145
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.9446608424186707
O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.9988304376602173
CC/C=C/[C@H](C=O)CC,0.05909762904047966
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,0.008958165533840656
FC(OC(C(Cl)F)(F)F)F,0.039210062474012375
O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8709629774093628
OCc1ccc(cc1)C,0.1104937195777893
OCC1CC1,0.2540125846862793
[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.7297168970108032
c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.4574660658836365
OCC(C(CO)O)O,0.5027128458023071
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,0.27794888615608215
c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9841213226318359
BrCCBr,0.6968139410018921
N#Cc1cccc(c1)C,0.1379597932100296
CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9884374737739563
CC(=O)C,0.1849457323551178
CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.01715151034295559
O=NN1CCNC1=O,0.9922798275947571
CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.9039667248725891
COc1ccc(cc1)C1OC1C,0.662495493888855
O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.5803273916244507
C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.23056988418102264
COC(=O)C,0.5642828345298767
Nc1cccc2c1c(N)c1c(n2)cccc1,0.8682881593704224
OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,0.14790701866149902
O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.020874731242656708
CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.20584888756275177
C1C[N@@]2CC[N@]1CC2,0.26064929366111755
Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.853618323802948
OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.9634027481079102
CCN(c1ccccc1)N,0.6111030578613281
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.018302949145436287
c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.9624286890029907
Nc1ccc2c(c1)oc1c2cccc1,0.7844439744949341
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.9249380230903625
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0002898474340327084
O=C/C=C/c1ccccc1[N+](=O)[O-],0.8084322214126587
OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.06607277691364288
[O-][N+](=O)c1ccc(c(c1)N)N,0.9832242131233215
Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.08242927491664886
CC(=O)NNC(=O)c1ccccn1,0.3032000958919525
CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8996213674545288
CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.0006698197103105485
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.17511917650699615
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,0.841910719871521
O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.5055800676345825
ONc1cccc2c1cccc2,0.9518437385559082
ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.9484285116195679
CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.05095460265874863
c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.9568166732788086
CCS(=O)CCSP(=O)(OC)OC,0.8520944714546204
Clc1ccc(c(c1Cl)O)Cl,0.07711285352706909
CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.0016077928012236953
CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.44949421286582947
COC(=O)C(Cc1ccc(cc1)Cl)N,0.44189080595970154
N#Cc1ccccc1C#N,0.15625867247581482
OCCn1c(CO)ncc1[N+](=O)[O-],0.8748610615730286
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.6959108114242554
O=Cc1ccccc1O,0.1323714554309845
[O-][N+](=O)c1cc2ccccc2cc1C,0.9138004183769226
Cc1cc(C)c(cc1C)C,0.40663447976112366
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,0.0006270284065976739
Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4279918670654297
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,0.8211584091186523
CCOC(=O)c1cccc2c1nccc2,0.0789557695388794
Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.721539318561554
Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9778746366500854
O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9847604036331177
CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.04832718148827553
OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.3498229384422302
ClCCN([P@](=O)(O)N)CCCl,0.9873992800712585
OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.015345816500484943
OC(=O)/C=C/c1ccc(cc1)N,0.3845887780189514
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.13411541283130646
OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.002659899415448308
O=Nc1cccc(c1C)[N+](=O)[O-],0.9713037610054016
CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9659044146537781
OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,0.11484606564044952
Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.508203387260437
c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.8444593548774719
[O-][N+](=O)c1cccc2c1[nH]nc2,0.7747505307197571
OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.00996869895607233
Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.8629752993583679
ONC(=O)c1ccccc1,0.8914197683334351
OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,0.01883653737604618
c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.9953476786613464
COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.9663518667221069
Nc1ccc(cc1)[N+](=O)[O-],0.9357311129570007
COc1cc(C=O)ccc1O,0.13363471627235413
CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.9887660145759583
O=C/C(=C(/C(=O)O)\Br)/Br,0.5904461145401001
CC(CCNc1snc2c1cccc2)C,0.12965252995491028
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4392738938331604
NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.24137496948242188
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.3484024405479431
c1ccc2c(c1)scn2,0.3517483174800873
c1ccc2c(c1)cnc1c2cccc1,0.8169498443603516
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.5066457986831665
CCCCCCCCCCCCCC(=O)O,0.022895175963640213
O=NN1CCO[C@H](C1)O,0.9754797220230103
Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.7707558870315552
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.00011102751886937767
O=CC(=O)O,0.424618661403656
CCCCN(C[C@@H](CCO)O)N=O,0.9482907056808472
COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.06577849388122559
OC(=O)c1ccc(cc1)C(=O)O,0.12321889400482178
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,0.2784956991672516
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.993787407875061
O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.9866690635681152
CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.013922731392085552
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.9954317808151245
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.29754066467285156
c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9177080988883972
OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,0.00023844826500862837
OCc1ccc(cc1)OC(=O)C,0.14489471912384033
Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8220917582511902
ON1CN(Cl)CN(C1)Cl,0.11588145792484283
O(Cc1cccc2c1cccc2)CC1CO1,0.9847604036331177
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8242018818855286
Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9819605946540833
CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.010662774555385113
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.97821044921875
CCCCCCCCCCCC(=O)O,0.022895175963640213
CC(=O)n1ncc(c(c1=O)Cl)Cl,0.028486128896474838
CCCCCCOC[C@H]1CO1,0.6071032881736755
C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.022037822753190994
Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.5177752375602722
CC1=CC(=O)C(=CC1=O)C,0.13790014386177063
O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8287773132324219
N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.030409354716539383
OC(=O)/C=C\C(=O)O,0.07265782356262207
C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.02420414239168167
c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.801167368888855
Cc1ccc(c(c1)C)C,0.3411484956741333
CCCCN(CCC)N=O,0.9671697616577148
COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.02573114074766636
Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.7964932918548584
Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9103765487670898
CNC(=O)NO,0.8507860898971558
CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.9924084544181824
Cc1cc(=O)[nH]c(=S)[nH]1,0.052915871143341064
OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.22728583216667175
CCCCO,0.08609158545732498
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9551692008972168
CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9956846237182617
CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.03778829053044319
O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8831496238708496
Cc1c(C)cccc1C,0.24209937453269958
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.2882295846939087
Cc1ccc2c(c1C)cccc2,0.5453642010688782
ClCCCN(C)C,0.24581782519817352
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.9507772326469421
Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.05685743689537048
Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.010557959787547588
COc1nsc2c1cc(OCC1CO1)cc2,0.98882657289505
[CH2-][N+](=O)[O-],0.4837110638618469
CCOC(C)(C)C,0.3717241585254669
[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9898999929428101
C=CCN(CC=C)N=O,0.9343191981315613
CCCCCCCCCCCCO,0.04630061239004135
O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.010856890119612217
CCOc1ccc(cc1)[N+](=O)[O-],0.7605684995651245
COc1c2ccc(=O)oc2cc2c1cco2,0.044070374220609665
O=C1C=CC(=NC(=O)C)C=C1,0.13738922774791718
O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.7391861081123352
CNc1ccc(cc1)N=Nc1ccccc1,0.7104207277297974
Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.1030338853597641
OCCCCN(CCO)N=O,0.9915149807929993
O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.2306450605392456
Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9157642126083374
O1OC2c3c(C1c1c2cccc1)cccc3,0.4288610816001892
COc1ccc(cc1)O,0.3022325932979584
CCCOC(=O)C(=C)C,0.016265464946627617
CC(=O)Nc1snc2c1cccc2,0.38224488496780396
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.18653886020183563
OCCN(CCO)C,0.16185766458511353
ClCCSCCCl,0.9596870541572571
CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.8802719116210938
OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.7469784617424011
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.019095445051789284
ClCc1ccc(cc1)Cl,0.2736036479473114
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.0003703573311213404
[O-][N+](=O)c1ccc2c(c1)cccc2,0.9432092905044556
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9237841367721558
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.0011202869936823845
CCCCC/C=C/C=C/C=O,0.8423765897750854
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.02173549309372902
OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,0.008373058401048183
OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9368240237236023
CN(c1ccncc1)C,0.31301748752593994
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9985727071762085
OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.004288936965167522
Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8876916766166687
[O-][N+](=O)c1ccc(c(c1)Cl)N,0.9133990406990051
Cc1ccnc2c1cccc2,0.1269136667251587
O=C(c1cccc2c1nccc2)OCc1ccccc1,0.19775447249412537
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.007494556717574596
OC(=O)CCCCCCCCC(=O)O,0.0747571811079979
CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.8781052827835083
COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.6752618551254272
COc1cc(OC)nc(n1)N,0.08252028375864029
C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.9212581515312195
Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.013290336355566978
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.016898203641176224
N#CCc1ccccc1,0.20067501068115234
ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.9827497601509094
O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.01371435634791851
CC(=O)Nc1ccc2c(c1)cccn2,0.6257545351982117
Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.9972416162490845
OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.791948676109314
c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9961764216423035
C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.7913098931312561
Nc1ccc(cc1)Sc1ccccc1,0.8259571194648743
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,0.0033535328693687916
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)c1cccs1,0.002475898712873459
Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.18478286266326904
CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.094980388879776
C=CCCC(C=O)CC,0.07698564231395721
O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9837031364440918
OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.21230292320251465
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,0.9876632690429688
O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9288746118545532
Oc1cc(O)cc(c1)O.O.O,0.18451443314552307
[O-][N+](=O)c1cnc(n1C)C,0.939673900604248
COC(=O)c1ccccc1S(=O)(=O)N,0.011738823726773262
OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.0007934820605441928
O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.12750419974327087
C=CCC[C@H]1CO1,0.7178872227668762
CCCCCC[N+](=O)[O-],0.057261038571596146
O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.933111310005188
C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9292949438095093
C[n+]1c2ccccc2c(c2c1cccc2)N,0.9245163202285767
ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.7967185974121094
COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.10696141421794891
OCc1ccc(cc1)C(F)(F)F,0.03232970088720322
Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9297456741333008
Cc1c(NC)ccc2c1nccn2,0.8932245373725891
COc1c2cc(OC)ccc2nc2c1cco2,0.7779641151428223
ONc1cccc(c1C)C,0.8674433827400208
C[C@@H]1CNC[C@H](O1)C,0.22111979126930237
Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7271046042442322
C1CCNC(=O)N1N=O,0.9919816851615906
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.020324300974607468
ClC(Cl)Cl,0.3582065999507904
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6114009618759155
ClC(c1ccccc1)C(=O)NCc1ccccc1,0.9115473031997681
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.8688000440597534
CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.012123160995543003
CCCCC/C(=C/c1ccccc1)/C=O,0.06066124886274338
Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7307153940200806
OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,0.10107766091823578
CC(COS(=O)(=O)C)C,0.9178211092948914
ClC(=O)c1ccc(cc1)C(=O)Cl,0.9029299020767212
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.14240947365760803
C1CNCCO1,0.17725658416748047
CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.15501800179481506
OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.0009914672700688243
NC(=O)O[C@H]1CO1,0.7725427746772766
CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.10243179649114609
[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.4747496545314789
BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.9516546130180359
OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.01577085815370083
N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5058910250663757
CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.8418365716934204
C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.04715114086866379
Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.41801127791404724
O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.7453834414482117
CC/C=C/C=C/C=C/C=C/C=O,0.9609515070915222
O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.02574966475367546
COC(=O)COc1ccc(cc1Cl)Cl,0.06733138859272003
CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.00767101813107729
COC(=O)c1ccc(cc1)C=O,0.054374463856220245
C1CCCO1,0.21824213862419128
NNc1nncc2c1cccn2,0.7828256487846375
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.8879785537719727
C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.6984955072402954
Oc1ccc(cc1)c1ccccc1,0.3133091926574707
Cl[Si](Cl)(Cl)Cl,0.35895487666130066
CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9764708280563354
Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.8922999501228333
CCOC(=O)OCC,0.06119988113641739
CNC,0.1941618025302887
CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.41662779450416565
[O-][n+]1cccc2c1C1OC1C=C2,0.7584848403930664
O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.761750340461731
Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.03663124889135361
CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.003987287636846304
COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9941079020500183
C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.003382295835763216
O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9827032089233398
[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.09058025479316711
Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.7028180360794067
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.0940481573343277
CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.004267697222530842
CC(CN1CC(OC1=O)C)O,0.11947164684534073
COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.7189443111419678
OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.9495793581008911
CCOC(=O)CNC(=O)C=[N+]=[N-],0.9175826907157898
CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.6075180172920227
CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.21650905907154083
Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.013045375235378742
[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.9892714619636536
CCC(=O)C(=O)CC,0.26213279366493225
OC(=O)CCP(=O)(O)C,0.026702266186475754
ONc1ccc2-c3c(Cc2c1)cccc3,0.949633777141571
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.915176272392273
O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],0.496429443359375
OC(=O)c1ccccc1S(=O)(=O)N,0.007735759019851685
c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9955577850341797
CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.03904201090335846
FC(c1ccc(cc1)Cl)(F)F,0.04409341886639595
Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9689971804618835
[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.9939242601394653
Cl[C@H](C#N)Br,0.23774926364421844
N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9639512300491333
C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.3554021418094635
O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.1795710027217865
ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.994688868522644
CO,0.3572778105735779
CNC(=O)Oc1ccc(cc1)c1ccccc1,0.5792093276977539
[O-][N+](=O)c1cccc2c1nccc2,0.8988465070724487
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]1C2,0.025809118524193764
CCOc1ccccc1C(=O)N,0.2208089381456375
O=NN(c1ccccc1)O,0.535547137260437
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.6813372373580933
O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.01179816946387291
COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8867691159248352
C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.6108335256576538
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.07156547158956528
CNC(=O)ONC(=O)C,0.6386799812316895
CC(C(C)(C)C)OP(=O)(F)C,0.01049555279314518
Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9877910614013672
CC(CNCC(C)C)C,0.0649271160364151
CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.8326359987258911
CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.11391717195510864
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+],0.63173508644104
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9188094139099121
Clc1c(O)cc(c(c1Cl)Cl)Cl,0.025272537022829056
CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.029875943437218666
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,0.03140337020158768
O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.030178124085068703
O=C/C(=C(/C(=O)O)\Cl)/C,0.7037331461906433
O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.6025694608688354
Cn1c(N)nc2c1cc1ncccc1n2,0.9344502687454224
Cl/C=C(/C(Cl)Cl)\Cl,0.9648057818412781
Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.0026242928579449654
c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9177080988883972
O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.09918328374624252
C1CCCCC1,0.22227387130260468
COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6461499929428101
O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9330018162727356
O=Nc1ncn(c1c1ccccc1)C,0.8396398425102234
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.02075938507914543
COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9582619667053223
O=c1ccc2c(o1)cccc2,0.17102748155593872
Nc1ccc(c(c1)Cl)C.Cl,0.5028222799301147
OCCOC(=O)C=C,0.05194420740008354
ClC(C(Cl)Cl)Cl,0.34216049313545227
O=CC(=C(Cl)Cl)C(Cl)Cl,0.9831382632255554
OC(=O)C(Cl)(Cl)Cl,0.18139466643333435
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,0.001078043133020401
CC(=O)NO,0.8855401277542114
Cc1ccccc1C,0.29183685779571533
CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.02959253266453743
c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.8206618428230286
BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.08028107136487961
COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.9973142743110657
CN(CC[C@@H](N(C)C)C)C,0.06080394238233566
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.11113011837005615
CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.4492259919643402
C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.08121701329946518
O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.39592114090919495
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.42176952958106995
c1ccco1,0.2277812510728836
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-],0.1246776357293129
OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.5973080396652222
Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7920043468475342
Oc1ccc(c(c1)C)Cl,0.07056698948144913
ClCC1=C(Cl)C(=O)O[C@H]1O,0.9945863485336304
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.8662626147270203
CCCC[C@H](COCCC#N)CC,0.02288571186363697
OC[C@H](CN(C[C@H](O)C)N=O)O,0.9829748868942261
c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.47258585691452026
COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.09699025005102158
COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.13827382028102875
CC(=C)C,0.32907840609550476
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,0.9943572878837585
CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.01723361387848854
OC[C@@H](CCl)O,0.4354446530342102
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.9911482930183411
ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.14979955554008484
OCCSN=O,0.6606861352920532
O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.5100370645523071
ClCCNc1ccc(cc1)C,0.9261695742607117
Nc1ccc(cc1)C(=O)N,0.5044822692871094
Sc1ccccc1,0.4162819981575012
CCOS(=O)(=O)C,0.9858201742172241
[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.9972496032714844
O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7283509373664856
CCCCCCCCCCCCOC[C@@H]1OC1,0.6071032881736755
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.0208284892141819
CCNc1nc(N)nc(n1)Cl,0.018549511209130287
COC1=CC(=O)C=CC1=O,0.13376176357269287
C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.1775396317243576
c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5480232238769531
CCCCSCCC(C(=O)O)N,0.09170161187648773
O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.6329800486564636
Nc1ccc(cc1C)NOS(=O)(=O)O,0.9705425500869751
O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.9504467248916626
CCOc1nc(NC)nc(n1)N,0.013561850413680077
Nc1c2ccccc2nc2c1cccc2,0.7891647219657898
O1CCOCCOCCOCCOCC1,0.377260684967041
C=CC(=O)OCCN(C)C,0.15423157811164856
CCCCN(CC)CC,0.10256969928741455
[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9996927380561829
CCC(=O)C=C,0.1395304799079895
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.002953513991087675
CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.013479064218699932
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,0.00035129545722156763
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.5930402278900146
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9969884753227234
O=Cc1cccc(c1)Cl,0.0744340643286705
OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9837031364440918
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8955528140068054
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,0.1317608654499054
ClC(=O)C(Cl)Cl,0.934296727180481
CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.002656142693012953
[O-][n+]1ncc2c(c1)cccc2,0.07830871641635895
CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.17622940242290497
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.6474493741989136
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.03242177516222
NCCc1c[nH]c2c1cccc2.Cl,0.4372757375240326
OC(=O)C(Cn1cncc1)N,0.13898001611232758
CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.004482821095734835
CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.7867012023925781
COc1ccc(cc1)CNC(=O)C(Br)C,0.9870222806930542
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8716385960578918
c1cc2ccc3c4c2c(c1)ccc4ccc3,0.6456037163734436
CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.012044170871376991
COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.6447272896766663
COc1ccccc1C[C@H]1CO1,0.9675103425979614
[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9477874040603638
CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9646782875061035
CNC(=O)Oc1cccc2c1cccc2,0.46295276284217834
CC(C(=O)NCc1ccccc1)Cl,0.7630424499511719
CCC(OC)(C)C,0.2324083298444748
O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.3481856882572174
CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9871578216552734
CCN(C(=S)SSC(=S)N(CC)CC)CC,0.1105177253484726
OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.5480931997299194
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8577085733413696
c1ccc2c(c1)ccc1c2nccc1,0.6505519151687622
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.04218117520213127
CC(O)C,0.21306180953979492
C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.23056988418102264
c1ccc2c(c1)occ2,0.11393757164478302
COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6310185194015503
O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.04110182076692581
COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.9447734951972961
Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.35443657636642456
C=C1CC[C@H]2C[C@@H]1C2(C)C,0.008282020688056946
COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9865442514419556
CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.007491461932659149
OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.8504454493522644
Oc1c2ccccc2cc2c1ccc(c2O)O,0.7745414972305298
Cc1ccc(cc1)CC[C@@H]1OC1,0.8464378118515015
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]21,0.04229273274540901
CC(C[C@H](N)C)C,0.0512414388358593
BrCCOC(=O)C(=O)OCCBr,0.9388747215270996
CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9360442161560059
CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.002104474464431405
Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.9361729621887207
BrCC(CBr)Cl,0.8250735998153687
OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.19461965560913086
OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.2825237214565277
C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.025351891294121742
CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.9776412844657898
O=CC(=C(Cl)Cl)Cl,0.8872653841972351
OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.8362234830856323
ClC(C[C@@H]1OC1)(Cl)Cl,0.8193821907043457
CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.7304579019546509
CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.318213552236557
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.018323099240660667
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,0.004351578652858734
CBr,0.3593687415122986
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,0.22801423072814941
NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.999380886554718
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.005523608066141605
ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.8223555684089661
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)CO3,0.004524023272097111
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.008439548313617706
O=NN(Cc1ccccc1)C,0.8462823629379272
O=C1C(=O)c2c3c1cccc3ccc2,0.6592126488685608
[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.5499682426452637
COc1ccccc1[N+](=O)[O-],0.6520780324935913
O=c1cn[nH]c(=O)[nH]1.NCCO,0.8830127716064453
[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9386917948722839
CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.03418758511543274
C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.938585638999939
CCCCCCC(=O)O,0.022895175963640213
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.03293440863490105
O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.47859930992126465
Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.93531733751297
CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.008065996691584587
N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.21386511623859406
ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.39089468121528625
Cc1c2ccccc2cc2c1cccc2,0.8365710377693176
COc1ccccc1N.Cl,0.8821242451667786
[O-][N+](=O)c1cccc(c1C)C,0.5083732008934021
CCC(c1ccc(cc1)O)(C)C,0.01917751505970955
CN(/N=N/c1ccc(cc1)Br)C,0.6916751265525818
CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.9682875871658325
c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.9655427932739258
Clc1ccc2c(c1)c(N)sn2,0.8123763799667358
C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.49822473526000977
N1CC1,0.22750680148601532
O=C(Nc1ccc(cc1)O)CC(=O)C,0.025609273463487625
CC(CN(CC(C)C)N)C,0.0646633580327034
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.2841716408729553
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.9690243601799011
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,0.0021374255884438753
ClCC[N+](CCCl)(C)[O-],0.8093259930610657
O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.12745508551597595
O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.038749150931835175
Nc1[nH]cc2-c(n1)ncn2,0.10521628707647324
Fc1ccc2c(c1)nccc2,0.647117018699646
N#Cc1cccc(c1)C#N,0.27903637290000916
Fc1cc2cccnc2c(c1)F,0.9542984962463379
OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7917370796203613
OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.03507130593061447
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9966443181037903
O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.9808666110038757
FC(=C)F,0.2087182253599167
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,0.01497647725045681
OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.0432925708591938
Oc1cccc(c1)[N+](=O)[O-],0.7622316479682922
c1ccc2-c3ncsc3CCc2n1,0.8479730486869812
Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.9449490308761597
O=NN1CCCCC1,0.9786205291748047
Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.14897596836090088
C=Cc1ccncc1,0.06615009158849716
COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.38580697774887085
CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.07279942184686661
Oc1ccc(cc1)c1ccc(cc1)O,0.4032554626464844
O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.004411901347339153
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,0.14265254139900208
O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.0020621989388018847
CC(CON=O)C,0.8588320016860962
CC[C@H](c1ccccc1O)C,0.040981512516736984
c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.993990421295166
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.24130579829216003
ClC(=O)Cc1ccccc1,0.6915298104286194
OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.10484828799962997
NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.6181192994117737
Nn1nnc2-c(c1O)nc1c2cccc1,0.48028483986854553
COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.012973412871360779
[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.9730564951896667
OCCCCO,0.2657967209815979
Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.3357907831668854
OC1C=Cc2c(C1O)ccc1c2cccc1,0.7976242899894714
CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.6596096754074097
BrCC1=C(Cl)C(=O)OC1,0.9748867154121399
CC[P@](=S)(Sc1ccccc1)OCC,0.13079486787319183
COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.05655878037214279
ClCCN(c1ccc(cc1)C)CCCl,0.8363425135612488
ClCCP(=O)(O)O,0.26243487000465393
CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.0318898931145668
Cc1cc(C)c(c(c1N)C)N,0.7862239480018616
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9054238200187683
[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.9939547777175903
O=C1C=Cc2c3c1cccc3ccc2,0.8915382623672485
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,0.5016525387763977
CNC(=S)N(C)C,0.09083298593759537
c1ccc(cc1)c1ccc(cc1)CC1CO1,0.9828437566757202
O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.02325982041656971
O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9967181086540222
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,0.12747186422348022
O=CC=O,0.542345404624939
Cc1ccc(c(c1)O)C,0.1595010757446289
COc1cc(N)ccc1NC(=O)C,0.7103649973869324
OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7195976972579956
Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.9178813695907593
CC(=O)NNc1ccccc1,0.9437538385391235
CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.7786483764648438
Clc1cccc2c1oc1c2cccc1,0.42166680097579956
Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.8996618390083313
Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.7342454791069031
C=CC(=O)OCCOCCOC(=O)C=C,0.09411942213773727
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,0.08697614818811417
Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.11145778745412827
CCCCOS(=O)(=O)C,0.967898964881897
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8776127696037292
NC(=O)N/N=C/C(=O)O,0.29681235551834106
O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.03504219651222229
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.0036830876488238573
Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.976473331451416
C=C[C@@](CCC=C(C)C)(O)C,0.06999142467975616
OCCN(C(=O)N)N=O,0.972169041633606
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.031955257058143616
c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.8910013437271118
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.6221668124198914
O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.5550039410591125
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,0.5309963822364807
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.024522963911294937
Clc1ccc(c(c1)N)[N+](=O)[O-],0.8867365717887878
Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.4382215440273285
Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.19352290034294128
CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.877092719078064
Nc1ccc(c(c1)C)N,0.8036788702011108
O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0.23841139674186707
NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.16237595677375793
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.017131268978118896
OCC1CC(C(O1)n1cnc2c1ncnc2N)O,0.7276327013969421
O=C1CCC(=O)N1c1ccc(cc1)Cl,0.05867747589945793
CN(N=Nc1ccc(cc1)Cl)C,0.8125497102737427
CC(Cc1nccs1)C,0.41025805473327637
NC(=O)c1c(Cl)ccc(c1Cl)O,0.05653827264904976
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.000960144679993391
OC(=O)c1cc2ccccc2cc1O,0.3131607174873352
Oc1ncnc(c1)O,0.06855480372905731
c1ccc2c(c1)c1ccccc1c1c2cccc1,0.6571399569511414
Nc1cccc(c1)S(=O)(=O)O,0.07748939841985703
CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9649695158004761
OC/C=C(/CCC=C(C)C)\C,0.01374466996639967
O=CC(=O)c1ccccc1,0.20832812786102295
CNc1snc2c1cccc2,0.20084814727306366
Cc1ccccc1c1nc2c(o1)cccc2,0.12278473377227783
Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.04094724357128143
Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.985203742980957
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6657902002334595
[O-][n+]1cccc2c1c(O)ccc2,0.4369407296180725
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.0047834631986916065
BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8634070158004761
C[Si](O)(C)C,0.2109086811542511
CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.12917473912239075
ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.9623672366142273
Nc1cccc2c1ccc1c2cccc1,0.9165329933166504
O=C/C(=C(/C(=O)O)\Cl)/Cl,0.842668354511261
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.5783154368400574
[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8987663388252258
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,0.7687427997589111
Fc1ccccc1c1ccccc1,0.7938510775566101
COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.9489391446113586
CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.8915193676948547
CNC(=O)CSP(=S)(OC)OC,0.3784404695034027
COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.9708755612373352
Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.022525344043970108
Nc1ccc(cc1C)S(=O)(=O)O,0.5594860911369324
SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.6982263922691345
C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.12465828657150269
CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.9700968861579895
CC(=O)Cl,0.8269303441047668
CCCCCl,0.2687487006187439
CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.08065835386514664
ClSC(Cl)(Cl)Cl,0.49156245589256287
ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.9986287951469421
OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.01105931680649519
ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.5813925266265869
Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.06995292752981186
CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)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)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,9.567219240125269e-05
Clc1c(Cl)cccc1Cl,0.06894679367542267
O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.8340654373168945
O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.7592331767082214
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,0.08234796673059464
Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6494140625
CCC(=O)Nc1snc2c1cc(C)cc2,0.20840826630592346
[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.720737636089325
O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.012570011429488659
CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.017666134983301163
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.07389543950557709
O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.04191139340400696
CC(F)(F)F,0.15403014421463013
CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.14556795358657837
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.7407646179199219
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8406718969345093
COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.789185106754303
O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.5966405868530273
Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.9459319114685059
NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.012643474154174328
c1ncn[nH]1,0.13257448375225067
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,0.04022196680307388
ONc1ccc(c(c1)[N+](=O)[O-])C,0.9447379112243652
O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9967256784439087
Fc1ccccn1,0.05966299772262573
COP(=O)(OC)O,0.5221855044364929
CCCCCCN(C(=O)N)N=O,0.8843203783035278
Clc1cc(Cl)c(cc1O)Cl,0.017862435430288315
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9522736668586731
SCC(C(=O)O)NC(=O)C(S)(C)C,0.07387743890285492
C[C@H](c1ccccc1)O,0.10035733878612518
CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.003261719597503543
O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.06182654947042465
NCP(=O)(O)O,0.13697783648967743
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.00470800930634141
[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9949532747268677
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.001467139576561749
C/C=C(\C=O)/Cl,0.929057776927948
[O-][N+](=O)c1ccccc1c1ccccc1,0.9666093587875366
OC1OC(=O)C=C1CCl,0.9722743034362793
CCCCOC(=O)C(=C)C,0.013893425464630127
Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.9656117558479309
C1CCc2c(C1)cccc2,0.25559210777282715
ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.3792281746864319
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,0.9644338488578796
C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.9431009292602539
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,0.010279813781380653
CN(CCN(c1ccccn1)Cc1cccs1)C,0.005167301744222641
CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.010839683935046196
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.0070515102706849575
Cc1cccc(c1)Br,0.04016827791929245
[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9910176992416382
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.9147660136222839
c1ccccc1,0.2882387042045593
C=CC=C,0.10765428841114044
COc1cc(=O)[nH]c(=O)[nH]1,0.1875787228345871
CC1=CC1,0.06408127397298813
Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9749323129653931
COc1cc(N)cc(c1N)OC,0.900394082069397
CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8335543870925903
N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.9960576891899109
COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.10730893909931183
OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.07641619443893433
NNCCO,0.323507696390152
CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.0020582471042871475
Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.029425546526908875
Fc1cccc2c1nccc2,0.8609590530395508
COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.7561715841293335
N#CCCCCC#N,0.18344943225383759
OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.8810717463493347
OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.021916188299655914
CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.0491977334022522
Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.025222470983862877
COS(=O)(=O)OC,0.8011717796325684
CCCCCCC=C,0.05549510568380356
N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9959020614624023
CO/N=C(\c1ccccc1CO)/C(=O)NC,0.013318277895450592
O=C1CCCCC1=O,0.20072674751281738
Oc1ccc(cc1)O,0.22329242527484894
C1CC2=CC3C(C=C(C1)O2)O3,0.12477777153253555
CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.003522667335346341
OCC1CCCO1,0.4675412178039551
O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.3974664509296417
O=C(c1ccccc1O)OCc1ccccc1,0.24701054394245148
O=Nc1cccc(c1)C,0.9154161214828491
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.08330747485160828
O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.9920024871826172
O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.8934530019760132
Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7315300107002258
O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.02307950332760811
CN(C[C@@H](Cl)C)C,0.5633841753005981
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8848074674606323
O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.1894349604845047
C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.9299411773681641
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,0.8054729700088501
Brc1ccc2c(c1)C=CC1C2CCCC1,0.42849093675613403
Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.4806767404079437
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9611564874649048
O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9989937543869019
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)cccc2,0.9826690554618835
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,0.9822403788566589
Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00019807663920801133
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.9060623049736023
CCO[Si](OCC)(OCC)C,0.2068677842617035
[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.9165472984313965
CC(Br)C,0.6893959045410156
OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.4973132610321045
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.999566912651062
CC(=O)c1cccc(c1)[N+](=O)[O-],0.8549230694770813
COC(=O)c1sccc1S(=O)(=O)N,0.011458327993750572
CC(COS(=O)(=O)c1ccccc1)C,0.23348455131053925
Oc1ccc2c(c1)nc([nH]2)N,0.19092443585395813
[O-][N+](=O)c1cccc2c1snc2,0.9231849908828735
Oc1cc(Cl)c(c(c1)Cl)Cl,0.03365205600857735
CCc1ccco1,0.09073194116353989
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.9116252660751343
COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.0435512401163578
COC(=O)c1ccccc1NC,0.1663093864917755
Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7751449942588806
COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.7389808893203735
CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.1580483615398407
COc1ccc(cc1)CC1OC1,0.9826328158378601
c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9001668095588684
N#N=NCC(C(C(C(C=O)O)O)O)O,0.9541429281234741
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.9707466959953308
COCCOCCO,0.19420741498470306
CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.24777957797050476
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,0.5016525387763977
Nc1ccc2c(c1)nc1c(c2)cccc1,0.9768317341804504
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.1737867295742035
CCC(=O)OCc1ccccc1[N+](=O)[O-],0.2597198188304901
Nc1ccc2c(n1)no[n+]2[O-],0.7888144254684448
O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9967811703681946
O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8693240284919739
OCc1ccc(cc1)C#N,0.09419102966785431
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.022147629410028458
C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.038576457649469376
O=NN(C(=O)c1c(NC)ncn1C)C,0.9845317006111145
CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.08743293583393097
CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.4786195158958435
Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.3016663193702698
OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.13022886216640472
[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9964280128479004
CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.00592630822211504
NC(C(=O)O)C(C)C,0.16275101900100708
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.05658736079931259
Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0022862153127789497
CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.9907930493354797
ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.5190365314483643
Cc1cccc(c1)C(=O)O,0.08165369927883148
CCOc1nc(N)nc(n1)N,0.013480762019753456
CCCCCCCCCCCCOS(=O)(=O)O,0.09852027893066406
OC[C@H]1CO1,0.9591912031173706
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0.5031665563583374
O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.948265552520752
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9962242245674133
Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.7577824592590332
O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.09561847150325775
OC(=O)c1ccccc1O.[Na+],0.06629373133182526
CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.017897406592965126
ClCc1ccc(cc1)CCl,0.4546605944633484
CCCCOCCOCCO,0.05111421272158623
Cc1ccc(cc1)NN=NCc1ccccc1,0.842639148235321
CC1=CC[C@H](CC1)C(=C)C,0.00957382284104824
CCN(CC)CC,0.3625677525997162
OC/C=C(\CCC=C(C)C)/C,0.01374466996639967
CCCCCC,0.07254298031330109
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9861475229263306
CN(C(=O)Cl)C,0.2899552881717682
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.6006251573562622
CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.19126774370670319
CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.5950391888618469
Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9554600715637207
O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.19849230349063873
O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.0495462641119957
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.9880741238594055
OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.4963790476322174
Cc1cc2c(nc1N)[nH]c1c2cccc1,0.923714280128479
CCCCOC(=O)c1ccc(cc1)O,0.0052142394706606865
CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.005179391708225012
CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.04762863367795944
CNc1ccccc1,0.5965814590454102
C1CCC2C(C1)c1ccccc1C1C2O1,0.026215553283691406
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9744865298271179
N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.005873743444681168
OC1=CC(=O)C1=O.[Na+],0.03706362098455429
Sc1nc2c([nH]1)cccc2,0.2552701532840729
Nc1ccnc2c1cccc2,0.8687454462051392
CCCCCOC(=O)C(=C)C,0.0065320334397256374
CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.011566540226340294
Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.3016663193702698
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.8256078958511353
C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.07155764102935791
CCO[P@@](=O)(N(C)C)C#N,0.036325789988040924
Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.001674414030276239
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9966974258422852
[N-]=[N+]=NC[C@@H](CO)O,0.9657295942306519
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.30022796988487244
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.8316388130187988
OC(=O)CI,0.12162820249795914
CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.5839740037918091
ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.19547399878501892
Cc1ccc(cc1)[N+](=O)[O-],0.7834423780441284
COc1nsc2c1cccc2[N+](=O)[O-],0.9740380048751831
Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9742418527603149
COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.00648821797221899
OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.01635299250483513
c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.7274056077003479
OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9860167503356934
C1CCC(CC1)NSc1nc2c(s1)cccc2,0.06942865997552872
COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.9207965135574341
COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.0019535685423761606
[O-]Cl.[Na+],0.260318398475647
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.8949260711669922
OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.8979083895683289
O[C@@H]([C@H]1CO1)CO,0.8908659815788269
C/C=C\C=O,0.7894557118415833
CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.11736258119344711
C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.4607311189174652
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,0.004333423916250467
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.9917160272598267
COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.020341355353593826
Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.7342454791069031
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.015297532081604004
Nc1ncnc2c1nc[nH]2,0.5351945161819458
Clc1ccc(c(c1)C)N,0.7018874287605286
OCC(=O)O,0.14924336969852448
O=NN(Cc1ccc(cc1)F)C,0.8780136108398438
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.9904152750968933
N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.017830170691013336
CC(=O)Nc1ccc(c(c1)N)C,0.896406352519989
Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.042402710765600204
CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.6665772199630737
OC(=O)C(CCS(=O)(=N)C)N,0.028041282668709755
C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.7823360562324524
CC(=O)C(=C)C,0.7647590637207031
BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9534649848937988
CSCNc1ccccc1OC,0.6378324627876282
Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.9980837106704712
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,0.0916023999452591
O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9037593603134155
O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.7852857112884521
Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.9106146097183228
CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.1544666588306427
Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8010877370834351
N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.07587037980556488
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,0.0237080380320549
Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.21008816361427307
Oc1ccc(c(c1)Cl)Cl,0.05329616740345955
CNc1ccccc1N,0.5193036794662476
CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.4786195158958435
Clc1ccc(c(c1)Cl)C(=O)O,0.08182688057422638
COC(=O)c1ccc(cc1)C,0.12642914056777954
O=NN(Cc1ccc(cc1)C(=O)O)C,0.5953776240348816
O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.7283839583396912
OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.01454167254269123
OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9861475229263306
CCCn1c(OCCC)nc2c(c1=O)cccc2,0.060849398374557495
COc1ccn(c(=O)n1)CC(CN=N#N)O,0.9640763401985168
ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9951146245002747
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.018029415979981422
OCNC(=O)c1ccc(cc1)Cl,0.08785875141620636
CC[C@H]([N+](=O)[O-])CO,0.2602759599685669
c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5122707486152649
OCC=O,0.4372783303260803
CCCCNCCCC,0.15680186450481415
COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.9153355360031128
OC1CCCCC1,0.09718173742294312
CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.03682323172688484
C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.13842162489891052
C/C(=N/O)/C(=O)C,0.12562412023544312
CCCCON=O,0.9396077394485474
OC1CC=Cc2c1nccc2,0.3395543098449707
CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,0.45869874954223633
Cc1ccccc1c1ccccc1,0.5681890249252319
COCC(=O)Nc1c(C)cccc1C,0.35189494490623474
CCC/N=N/O.[K+],0.9287183880805969
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)CO3,0.060012806206941605
CC(=O)C(Cl)(Cl)Cl,0.2994003891944885
Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.39362454414367676
Fc1cc2ccccc2c2c1cccn2,0.8831742405891418
Nc1ccc2c(c1)[nH]c1c2cccc1,0.9506141543388367
C[C@H](CN1C[C@@H](OC1=O)C)O,0.12060551345348358
[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9708264470100403
OC[C@@H](CBr)Br,0.9062076807022095
COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.932744026184082
O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.024119574576616287
O1C[C@@H]1c1ccccc1,0.7272948026657104
Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.8932818174362183
N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9804790616035461
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,0.9682507514953613
COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.9586230516433716
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7121015787124634
NCC(=O)O.Cl,0.06128634884953499
[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9498214721679688
OCCCN(N=O)CC,0.9873275756835938
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.31823861598968506
CCCC[C@H](C=O)CC,0.04154764860868454
Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.08770023286342621
Nc1cccc2c1cc1ccccc1n2,0.9784661531448364
CNCCCN1c2ccccc2CCc2c1cccc2,0.04799468070268631
OCC(C(C(C(C(=O)O)O)O)O)O,0.14669467508792877
Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.764315128326416
Nc1cccc2c1c(N)ccc2,0.8140536546707153
OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9188672304153442
CCC#N,0.24269840121269226
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.029186010360717773
OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9146223068237305
[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.8749529123306274
OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9960362315177917
C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.05420877784490585
Nc1ccc(cc1)c1ccccc1C,0.8743611574172974
COc1nsc2c1ccc(c2)OCC1CO1,0.9985437393188477
COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.889360785484314
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,0.054360531270504
ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.9898349642753601
CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.8522405624389648
O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.031447529792785645
CCCCN(CCCO)N=O,0.9486032724380493
C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.9797821044921875
CC[C@H](N)C,0.057240016758441925
Nc1cccc(c1)O,0.6248111724853516
COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.9964655041694641
Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.6423909664154053
Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.789849042892456
NCCNCCNCCNCCN,0.49186840653419495
NC=O,0.36908525228500366
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.04824696108698845
CCCCCCCCCCOC(=O)C(=C)C,0.0065320334397256374
Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.8800477981567383
COC(=O)C1=C(C)C(OC1=O)C(C)C,0.5455001592636108
[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.7290815114974976
Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.21692171692848206
O=C1C=CC(=O)C=C1c1ccccc1,0.28889352083206177
C/C=C/C=C/C(=O)O.[K+],0.060276735574007034
COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.11721020936965942
Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.5877813696861267
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.8003042340278625
CCSCCOP(=S)(OCC)OCC,0.005528976209461689
[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9966360330581665
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.012107141315937042
CCCOS(=O)(=O)C,0.9662989377975464
OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9901453256607056
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.045944564044475555
O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.957901656627655
OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.9628949165344238
C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.02480071596801281
O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.5819091200828552
O(Cc1ccccc1)Cc1ccccc1,0.5516387820243835
CCN(c1ccccc1)Cc1ccccc1,0.48192739486694336
OC1C=Cc2c(C1O)ccc1c2cccn1,0.8926889300346375
CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.012760080397129059
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.9644128680229187
O=C(c1ccccc1)OOC(=O)c1ccccc1,0.3207133114337921
c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.9567438960075378
O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.4231197237968445
BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.7805312871932983
Cc1cscc1,0.3768981993198395
NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.7632583379745483
CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.0021094060502946377
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.03681445121765137
COCCOC(=O)C,0.5807529091835022
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.13279440999031067
CN(C#N)C,0.6498540043830872
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.08137955516576767
c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.7200823426246643
N#CCc1ccc(cc1)Cl,0.1051463931798935
CC12OOC1Oc1c2cccc1,0.5279966592788696
OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.0027983332984149456
[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.6114640235900879
O=NN1CCN(CC1)C,0.8773012161254883
COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.6925449371337891
C[C@@H](c1ccccc1)N(C)C,0.054001372307538986
O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.10461197793483734
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.011664791032671928
[O-]P(=O)([O-])[O-].[Fe+3],0.4187294542789459
Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8549440503120422
ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.8931481242179871
O=C1CSC(=S)N1,0.6119333505630493
CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.05197649449110031
Clc1ccc(c(c1)N)C,0.686735987663269
CC(COC(=O)Cc1ccccc1)C,0.025616174563765526
O=C(c1ccccc1)C(=O)C,0.17284859716892242
Fc1c[nH]c(=O)[nH]c1=O,0.025945376604795456
CCCCC1CO1,0.3523084819316864
BrCc1ccc(cc1)CBr,0.34775033593177795
OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.6174643039703369
OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.940283477306366
N#N=NCc1ccccc1,0.9379650950431824
O=NN1CSCC1C(=O)O,0.4724133014678955
c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9084538221359253
O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.4939729571342468
CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0012250940781086683
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.989643394947052
CC(C1=CC(=O)C(=CC1=O)C)C,0.08371807634830475
COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.10093694925308228
OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.09165285527706146
O=NN(Cc1ccc(cc1)Cl)C,0.7443857192993164
OC1C=Cc2c(C1O)ccc1c2nccc1,0.9174107313156128
COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.01537796575576067
O=C1c2ccccc2CCc2c1cccc2,0.632724404335022
OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.020693982020020485
Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.07616015523672104
CC(=O)Nc1ccccc1C,0.12937381863594055
O=C1C=C(O)c2c(C1=O)cccc2,0.8429387211799622
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.9912282228469849
O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.10600459575653076
Nc1ccc(c(c1Cl)Cl)Cl,0.2317010909318924
Nc1cc([N+](=O)[O-])c(cc1F)N,0.9925596117973328
CC(=O)c1ccncc1,0.11473210901021957
Cc1nc2c(s1)cccc2,0.28616735339164734
CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.11173045635223389
[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.8760067820549011
BrC(C1=C(Cl)C(=O)OC1)Br,0.980995774269104
Cc1cc2ncccc2c2c1n(C)cn2,0.9215777516365051
Nc1ccc(c(c1)[N+](=O)[O-])N,0.9850727319717407
C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.9839785695075989
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9747171401977539
CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.0241986233741045
Nc1ccc2c(n1)[nH]c1c2cccc1,0.9408733248710632
Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.9840545654296875
Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.03452706336975098
OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.8709584474563599
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.03403466194868088
Fc1ccc(c(c1)[N+](=O)[O-])F,0.8476816415786743
OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9935181736946106
O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.01687127724289894
OC(=O)[C@H](O)C,0.1197529211640358
OC(=O)C(Cl)(Cl)C,0.19171088933944702
CCCC,0.14354319870471954
ONc1ccc2c(c1)cccc2,0.8363149762153625
Fc1cnc2c(c1)cccc2,0.32118919491767883
Oc1ccc2c(c1)cccn2,0.5733606815338135
[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9803560376167297
CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.005995229817926884
CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.0034044478088617325
OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8787212371826172
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,0.00544587429612875
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.08570697158575058
OCC(Cl)Cl,0.17380058765411377
O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.021413305774331093
O=NN(Cc1ccc(cc1)Br)C,0.5178037285804749
OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.002676198957487941
CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.00893328431993723
CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.8606971502304077
Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.3508922755718231
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.7213284969329834
Clc1nncc2c1ccnc2,0.05349123477935791
CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.9357069134712219
C=C[Si](Cl)(Cl)C,0.2685108482837677
O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.6944078207015991
CC(COC(=O)C(=C)C#N)C,0.18311980366706848
OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4546165466308594
COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.8996520042419434
Cc1cc(N)cc(c1)N,0.6880818605422974
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.10300566256046295
ClC=C(Cl)Cl,0.7254148721694946
O1CC1Oc1ccccc1,0.21382859349250793
COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.8996520042419434
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+],0.11423029750585556
[O-][N+](=O)c1cccc2c1c(C)ccc2,0.944510817527771
[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.12319491058588028
O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.9988733530044556
CCOC(=O)C=C,0.05316790193319321
CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9868839383125305
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.17698273062705994
OCC(COP(=O)(O)O)O,0.022214986383914948
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.05131186172366142
O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.5531815886497498
Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7790473699569702
Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9606191515922546
NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.9261951446533203
CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.8588966131210327
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]12,0.0004465458041522652
Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9883769750595093
O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9693418741226196
COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5270568132400513
O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.23445340991020203
CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.9601085782051086
Clc1ccc(cn1)Cl,0.01657182350754738
CC(S(=O)(=O)Cl)C,0.32943132519721985
OCCCCN(N=O)C,0.9882456064224243
c1ccc2c(c1)cccc2,0.4876798093318939
Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.015044711530208588
ClCCN([P@]1(=O)NCCCO1)CCCl,0.9887368083000183
ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.982648491859436
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.005985240451991558
CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.026409870013594627
C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.7292758226394653
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,0.12236102670431137
C=C[C@H]1CO1,0.8015400767326355
OC(=O)/C=C/c1c[nH]cn1,0.13423249125480652
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.006330970674753189
Oc1ccc2c(c1)oc(=O)cc2C,0.08422689139842987
S1CC1,0.4705894887447357
ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9394270181655884
Clc1cc(Cl)c2c(c1)c(N)sn2,0.8924271464347839
OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.04029228165745735
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0006620098138228059
Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.9532281160354614
c1ccc2c(c1)[nH]c1c2ccnc1,0.5124020576477051
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.010205909609794617
OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.13694579899311066
Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.848983645439148
OC[C@H]([C@H](CO)O)O,0.4503607153892517
C[C@@H]1O[C@@H]1C,0.4393042027950287
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,0.0010882429778575897
OC(=O)Cc1c[nH]c2c1cccc2,0.11613763868808746
COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.9848424792289734
[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.8917279243469238
O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9974929094314575
Clc1[nH]c(=O)c(cc1Cl)Cl,0.057534001767635345
CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.021735165268182755
CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.2160608023405075
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.07221703976392746
CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.02581038512289524
OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.014767864719033241
CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.011379214003682137
CCOC(=O)NNc1nncc2c1cccc2.Cl,0.9609367251396179
COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.0032412423752248287
O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.6542084217071533
c1cc2ccc3c4c2c(c1)cnc4ccc3,0.9006183743476868
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.012303068302571774
O=C1C=CC(=O)N1,0.33941954374313354
CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.7110136151313782
[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.0022946945391595364
CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.0435529388487339
O=Cc1ccco1,0.09246983379125595
CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.021540332585573196
CC(=O)Nc1cccc2c1-c1ccccc1C2,0.902600109577179
Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.9039079546928406
OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9448472857475281
COc1ccc(c(c1)OC)N.Cl,0.9417474865913391
CC/C=C/C=O,0.8390914797782898
C=CC(=O)NC(CC(=O)C)(C)C,0.02052721381187439
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,0.9631999731063843
COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.6034489870071411
OC(=O)CC[C@@H](C(=O)O)N.O.N,0.052587367594242096
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,0.9889209866523743
CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.6012317538261414
CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.007672978099435568
CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.0980498343706131
CCC([N+](=O)[O-])CC,0.6169438362121582
c1ccc(nc1)c1ccccn1,0.4107305109500885
Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7844218015670776
BrC=C,0.42410698533058167
O=C=Nc1cccc(c1C)N=C=O,0.35957464575767517
CCCCCCC1OC1,0.3523084819316864
Oc1ccc2c(c1N)cccc2,0.5462418794631958
C[n+]1c2ccccc2cc2c1cccc2.Cl,0.9404339790344238
Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.3016663193702698
C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.4030084013938904
Cc1ccc(cc1)O,0.17340704798698425
Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.913123607635498
[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9994602203369141
OC(=O)Cc1ccc(c(c1)O)O,0.12868265807628632
Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.9932316541671753
Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.267464816570282
ClCC1=C(Br)C(=O)OC1,0.9798778295516968
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+],0.6787134408950806
CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.11019261181354523
Oc1cc(O)c2c(n1)cccc2,0.16931578516960144
O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.9765469431877136
ClCCNc1ccc(cc1)CCCC(=O)O,0.8581423759460449
Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.9476470947265625
OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.019474083557724953
O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8751426935195923
CCCCCCCCC(=O)OCC=C,0.01777922362089157
CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.0033483807928860188
CC(C1CCC2(CC1)OC2)(C)C,0.17151400446891785
CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.5140079259872437
Clc1cccc(c1)C(=O)Cl,0.6719805002212524
c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9231542348861694
ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.894871711730957
Nc1ccc(c2c1cccc2)N,0.7517043352127075
Clc1ccccn1,0.13983657956123352
Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9321655035018921
Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.924732506275177
O=C1c2cc(ccc2OC21CC2)C(=O)C,0.4081090986728668
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.05669788643717766
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.8558239936828613
NC(C(S)(C)C)C(=O)O,0.11777883768081665
Cl[C@@H](c1ccccc1)C(=O)Cl,0.9603543281555176
Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.1379004418849945
O=c1[nH]cnc2c1cccc2,0.11394157260656357
Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.9856793284416199
COC[C@H]1CO1,0.9566766619682312
COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.9792102575302124
Fc1cnc2c(c1)c1ccccc1cc2,0.6178134083747864
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,0.586488664150238
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)/C1,0.03149668872356415
COc1cc(OC)c2c(c1)OC1C2C=CO1,0.7122734785079956
CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.7775976657867432
NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.0193689726293087
CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.002033426659181714
O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.9213732481002808
OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9913963079452515
O=Cc1ccccc1,0.09879554063081741
OC(=O)CCCCC(=O)O,0.13840647041797638
OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.014603585004806519
c1ccc2c(n1)c1ncccc1cc2,0.8009568452835083
C1N2CN3CN1CN(C2)C3,0.800582766532898
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.9165742993354797
Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.42732104659080505
Cc1ccc(cc1)c1nc2c(o1)cccc2,0.03322212025523186
Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.3537836968898773
CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.5961810946464539
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.00028278774698264897
O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.7832086682319641
Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.07397302240133286
O=C1NCC[n+]2c1cccc2,0.3830491602420807
Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.9634211659431458
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.01635299250483513
CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.0749756395816803
O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.6052260398864746
CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,0.03242352977395058
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.4472561776638031
S=C1NCCN1,0.09624439477920532
c1ccc(cc1)[Se][Se]c1ccccc1,0.4277562201023102
Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.1552809327840805
O=CC=CNCCCCC(C(=O)O)N,0.5894781351089478
CCCC(=O)O,0.07033848762512207
COc1ccc(ccc1=O)[N+](=O)[O-],0.8979364633560181
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.9758752584457397
N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.8650758862495422
FC(n1c(C)n[nH]c1=O)F,0.06125360727310181
ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.8508658409118652
c1ccc2c(c1)c(ccc2)CC1CO1,0.9861949682235718
Cc1ccc(c(c1)C)N,0.8018023371696472
OC(=O)C(CC(=O)O)(CC(=O)O)O,0.06647523492574692
CCCCCCOC(=O)c1ccccc1,0.003433726727962494
OC(=O)C=C,0.15346097946166992
Cn1ccnc1S,0.45712876319885254
C1CCC=CC1,0.40186864137649536
CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.00619894964620471
O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.17936742305755615
OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.894841194152832
COc1ccc(cc1)[N+](=O)[O-],0.892983078956604
CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.010179838165640831
O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.0020882540848106146
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.996826171875
OCC12OOC2(CO)Oc2c1cccc2,0.6442843675613403
Clc1cc(N)c(c(c1)Cl)O,0.3930123448371887
Cn1c(N)nc2c1cc1ccccc1c2,0.909213662147522
CCOc1ccc(cc1)NC(=O)N,0.23380057513713837
OC(COc1cccc2c1cccc2)CNC(=O)C,0.15575076639652252
OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.25192540884017944
CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.0884743481874466
C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.06661351025104523
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,0.0018899610731750727
CCCC[C@H](COC[C@H]1CO1)CC,0.31107276678085327
BrCCC(CCBr)(CO)CO,0.5282845497131348
COC12OOC2(C)Oc2c1cccc2,0.6745288968086243
COc1nncc2c1cncc2,0.029389595612883568
CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.5780779719352722
BrCC(=O)c1ccccc1,0.3631710410118103
COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.009442506358027458
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.008292458951473236
S=C=NCCc1ccccc1,0.1269620656967163
O=C1NS(=O)(=O)c2c1cccc2,0.012275208719074726
c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.9640302658081055
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.5287885665893555
O=C(c1ccccc1)/C=C/c1ccccc1,0.07840142399072647
[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.7122645974159241
Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.04302208870649338
CC(=C)OC(=O)C,0.06363736838102341
OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.05322505906224251
Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.26128989458084106
O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.010090925730764866
NC(=O)NCC=C,0.09163771569728851
CCc1cccc(c1NC(=O)C)CC,0.4740212559700012
COS(=O)(=O)F,0.48757678270339966
CN1CN(C)CSC1=S,0.9244003295898438
Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9876317977905273
C/C=N\O,0.2958783507347107
OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.625839352607727
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.884609043598175
CCCCCCCC(=O)O,0.01689309999346733
ClCCOC(=O)C=C,0.2864997386932373
NC(=S)NCC=C,0.545558750629425
CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.05165097862482071
On1nnc2c1cccc2.O,0.05127869173884392
CNC[C@@H](c1ccc(c(c1)O)O)O,0.035848259925842285
C1CCC(CC1)N=C=NC1CCCCC1,0.038196515291929245
c1ccc(cc1)Cn1cncc1,0.061589617282152176
COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.4082493185997009
O=CN(C(=O)N(C)C)C,0.24278822541236877
CCn1c(N)nc2c1ccc1c2cccn1,0.9976446032524109
COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.9212236404418945
CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.07855527848005295
CCCCOCC(=O)O,0.012684878893196583
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.7079521417617798
C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.0008068500901572406
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,0.026210878044366837
CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.6946901082992554
Ic1cc(Cl)c2c(c1O)nccc2,0.31511563062667847
COc1nc(NC(=O)N)nc(c1)OC,0.07674990594387054
N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.9884002804756165
Oc1[nH]nc2c1cccc2,0.052435893565416336
OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0.023899320513010025
ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8741410374641418
O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.9949277639389038
[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.5813535451889038
CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.027741149067878723
CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.6831599473953247
O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.008411387912929058
FC(C(F)(F)F)Cl,0.051144808530807495
O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.20475013554096222
CC(c1ccccc1)Br,0.08064331114292145
[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.29293495416641235
OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.57447749376297
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.993209958076477
Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.021952250972390175
Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9497178792953491
[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.9994564056396484
Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7796269059181213
N#Cc1ccc2c(c1)n(C)c(n2)N,0.9625322222709656
C/C=C\C=C,0.46896934509277344
OCc1c(N)cccc1[N+](=O)[O-],0.5863538980484009
CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.20223136246204376
CC(=O)N(C)C,0.5165461301803589
NCCC(N)C,0.045676298439502716
CCCSP(=O)(SCCC)OCC,0.11108410358428955
OS(=O)(=O)O.COc1ccc(cc1N)N,0.9947619438171387
ClC(C(C(F)(F)F)(F)F)Cl,0.04007803648710251
Oc1ccccc1c1ccccc1,0.511934757232666
OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[N@@]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.04840874671936035
Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9468621015548706
[O-][N+](=O)c1ccc2c(c1)CCN2,0.725607693195343
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)OC3,0.026364440098404884
C/C=C/c1cc(OC)c(cc1OC)OC,0.4166730046272278
CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9351393580436707
CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.08860404789447784
CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.16431936621665955
ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.9985038042068481
CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.012721133418381214
COc1c2cc3OCOc3cc2nc2c1cco2,0.7414411306381226
OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.9061720967292786
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,0.033636271953582764
Clc1cc(Cl)nc(n1)Cl,0.07315618544816971
BrCC(C)(C)C,0.7656470537185669
C1NCCS1,0.17497316002845764
O=C1CCc2c(O1)cccc2,0.2518908977508545
OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.6899687051773071
CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.00015726899437140673
CC(=O)Oc1cccc2c1nccc2,0.4721328616142273
OC(=O)/C=C/c1ccc(c(c1)O)O,0.0988946259021759
Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.7856379151344299
Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,0.07529086619615555
OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7206283807754517
O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.9778072237968445
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.5449181795120239
ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.02082967758178711
Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.004182114265859127
OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.5952315330505371
Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.6067011952400208
COc1cc(N)c(cc1N)C,0.946628749370575
N#N=Nc1nc2c(n1C)cccc2,0.9833233952522278
Clc1ccc2c(n1)cccc2,0.30943408608436584
CNC(=O)C1=NN=C([CH]1)Br,0.25062400102615356
ClC[C@@H](CBr)Br,0.939723789691925
N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.02886047586798668
ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.9861095547676086
CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.026587653905153275
CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.7098538279533386
COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9212183952331543
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.944104790687561
O[C@@H](c1ccccc1)C#N,0.03239636868238449
C/C=C/c1ccc(cc1)OC,0.3304651379585266
O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.7999335527420044
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,0.08932159096002579
ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.994914174079895
CNC[C@@H](c1cccc(c1)O)O.Cl,0.0130089046433568
O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.03322318568825722
CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.0062792180106043816
Nc1sc2c(n1)C1CCCNC1CC2,0.6073153614997864
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.3198366165161133
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+],0.16034480929374695
CC(C(=O)O)Cl,0.14950823783874512
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9984908103942871
COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.01463328581303358
[N-]=[N+]=CC(=O)NCC(=O)N,0.9215208888053894
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.8111833333969116
OC(=O)COc1ccc2c(c1)cccc2,0.24366196990013123
Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.4583521783351898
CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.0022730608470737934
OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.040127743035554886
CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.46868497133255005
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.9133674502372742
c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.8415552973747253
C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.32320672273635864
CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.957976222038269
CCn1c(N)nc2c1c(C)cc1c2cccn1,0.9948589205741882
Clc1ccc2c(c1)c1ccccc1o2,0.5968732237815857
Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9589952230453491
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9945294260978699
CCCCOC(=O)C,0.08603648841381073
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,0.0019411180401220918
ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.8219923973083496
Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.8557981252670288
ClCc1ccc(cc1)Br,0.10809086263179779
Cc1cccc2c1nn[nH]2,0.44915643334388733
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.5277382135391235
ON=C,0.4804306924343109
Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.8719342947006226
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,0.9963212013244629
Nc1cnc2c(c1)c1ccccc1cc2,0.9795407056808472
COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.9688687324523926
CCCCCCOC(=O)C(=C)C,0.006813370622694492
ClC(=C1OC(=O)C(=C1)Cl)Cl,0.9329999685287476
C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9915245771408081
OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.05321468040347099
c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9737648963928223
BrCCCBr,0.8472543954849243
CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.00224702968262136
O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.17660236358642578
OC(=O)CCCOc1ccc(cc1C)Cl,0.0575362853705883
c1ccc(nc1)c1cccc(n1)c1ccccn1,0.5675105452537537
OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.0003221356892026961
Nc1nc(N)c2c(n1)[nH]cn2,0.19266733527183533
ONC(=O)c1ccccc1O,0.9200243949890137
Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.0038809641264379025
Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.6867131590843201
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.5936933755874634
CC(COC(=O)C(=C)C)O,0.12064703553915024
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.00046693015610799193
[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9923276901245117
CC12CCC(C2(C)C)CC1(C)O,0.0671805888414383
O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.15177281200885773
OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.940025806427002
Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.04326590150594711
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,0.314530611038208
O=C/C(=C/c1ccccc1)/C,0.23857176303863525
CCCCCC(=O)N,0.034681182354688644
ONc1ccc(cc1)C(=O)C,0.7250231504440308
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9838297963142395
[S-]C(=S)NC.[Na+],0.22879020869731903
OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.14693725109100342
Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9136595726013184
CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.9685007333755493
O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.9917466044425964
OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9781285524368286
N#C[Se]Cc1ccccc1,0.3036747872829437
N#Cc1cc(ccc1N)[N+](=O)[O-],0.8207454681396484
CN(C=O)N,0.32875198125839233
C/C(=N\O)/CC,0.9033308029174805
OCCN1CN(CCO)CN(C1)CCO,0.5078909397125244
CCCCN(CCC(=O)OC)N=O,0.9735003709793091
NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.47926172614097595
CC1=CC[C@H](CC1)C(O)(C)C,0.047473758459091187
Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.24638669192790985
Cc1ccc(c(c1)N)C,0.49048280715942383
COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.17658066749572754
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.9568188786506653
[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9887787699699402
Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9918830990791321
Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8680198788642883
Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.34359484910964966
CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.4838736951351166
ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.9941593408584595
CN(C(=O)Nc1ccc(cc1)Cl)C,0.32686764001846313
CCOc1ccc(cc1)N(C(=O)C)O,0.646247386932373
CCOC(=O)OC(=O)OCC,0.023061322048306465
Cc1cnc2c(n1)cccc2,0.4546804428100586
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.05066791921854019
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.05953327566385269
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N@@]3[C@H]2[C@H](OC1=O)CC3,0.9593818783760071
COc1cc(C=C)ccc1O,0.16958755254745483
OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.07695837318897247
Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.18678700923919678
ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.8105953335762024
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.04347985237836838
CC1c2ccccc2-c2c1cccc2,0.9264234304428101
O=NN(CC(=O)C)C,0.956699013710022
ClCC(=O)NCc1ccccc1,0.7119728326797485
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.957253634929657
Nc1c(C)cccc1O,0.37746185064315796
OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.6929340362548828
Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.986373245716095
ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.8124420046806335
COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.9264547228813171
ClCCBr,0.8756532669067383
O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.3254373073577881
Clc1ccc(c(c1)N)N,0.6510310769081116
Fc1cnc2c(c1)c(N)ccc2,0.5153263807296753
O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.38189709186553955
COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.7790712118148804
O=C/C=C/c1ccc(cc1)N(C)C,0.8336426019668579
ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9868712425231934
OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.18440060317516327
CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.9245612025260925
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.6563068628311157
Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.626072883605957
[O-][N+](=O)[CH-]CCCC,0.0412987656891346
c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9660893678665161
ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9981518983840942
Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.904239296913147
CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.03771260008215904
[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0.24232542514801025
O=C1C=C(C)C(=O)c2c1cccc2,0.6380094289779663
O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.18912914395332336
CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.8266136050224304
Clc1ccc2c(c1)nc(n2C)N,0.8596949577331543
CC(CCOS(=O)(=O)C)C,0.9690231084823608
N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9845593571662903
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.9132760167121887
O1COCOC1,0.165542334318161
[O-][N+](=O)c1ccc2c(c1)csn2,0.969267725944519
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.6714147329330444
ClCc1ccncc1,0.24129191040992737
OC(=O)CCN=N#N,0.8707453012466431
C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.46195727586746216
OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.6701849102973938
CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.7665038108825684
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)OC3,0.019398633390665054
Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8619874119758606
C=CCCCC[C@@H]1OC1,0.41789761185646057
CCc1ccccc1N,0.48895707726478577
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.6160527467727661
Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.08302950859069824
C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.004668635316193104
CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.2664209008216858
O=NN(CC(=O)C)CC(=O)C,0.9438222646713257
Fc1c(F)c(F)c(c(c1F)Cl)F,0.0693267211318016
C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0.004041315522044897
CNC(=O)ON(C(=O)NC)C(=O)C,0.15854290127754211
Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7812696695327759
[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.9028093218803406
O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.938428521156311
O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.6817178726196289
NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.33742329478263855
Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.46075862646102905
CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.8270148038864136
C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.04373579099774361
Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.8556510210037231
OC(=O)CS.[Na+],0.15458986163139343
OCC(C(=O)O)N,0.5949567556381226
Cc1ccc(cc1)/N=N/NCc1ccccc1,0.8004195094108582
Oc1ccc(cc1)C(c1ccccc1)(C)C,0.07879374176263809
ClC=C(C)C,0.5475175380706787
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,0.005629013758152723
O=NN1CCSCC1,0.971942126750946
Fc1cccnc1,0.0747271180152893
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.006128174718469381
Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9992235898971558
c1ccc2c(c1)Oc1c(O2)cccc1,0.55375736951828
OC(C(=O)O)Cn1cncn1,0.0030602342449128628
NCC(=O)Nc1ccccc1,0.5654914975166321
O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.8970219492912292
c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9951047897338867
[O-][N+](=O)C,0.49888163805007935
C1CC23C(C1)(O3)C=CC=C2,0.14569072425365448
CC(Nc1ccc(cc1)Nc1ccccc1)C,0.2927270531654358
c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9927669763565063
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.976700484752655
CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,0.013526663184165955
CCCCN(N=O)CCCC,0.9639724493026733
Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.48199114203453064
[O-][N+](=O)CCl,0.4979582726955414
CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9966773986816406
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.973889946937561
N#CSCSC#N,0.30850750207901
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8353527188301086
Clc1cc(Cl)cc(c1)Cl,0.13266335427761078
CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9324414134025574
Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.9823818206787109
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.40472298860549927
Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.6399141550064087
O=NOC(C)(C)C,0.822608470916748
C=CC(=C)CCC=C(C)C,0.064943328499794
NC(=O)[C@H]1CO1,0.7706776261329651
ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9813348054885864
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.4836404323577881
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,0.12175507843494415
OOC1(C)c2ccccc2-c2c1cccc2,0.800506591796875
CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.079142726957798
COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.05117110535502434
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.012286202050745487
CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.3250512480735779
O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.008917626924812794
Nc1scc(n1)c1cccnc1,0.8007159233093262
BrN1C(=O)CCC1=O,0.18472470343112946
O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.0018385529983788729
[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.982028603553772
COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.006524308584630489
NC(=NC(=N)N)NCCc1ccccc1,0.05781406909227371
Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9949092864990234
CN(CCN(c1ccccn1)Cc1ccccc1)C,0.012614643201231956
Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9794443249702454
COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.4696362614631653
CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9929134249687195
Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9192380905151367
O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.9153715968132019
CCOc1cc(C=O)ccc1O,0.05339576676487923
CC(=C)C(=O)OCC(C)(C)C,0.20648303627967834
CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9463595151901245
O=NN(CCN(C)C)C,0.9566093683242798
O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.673780083656311
ONc1nc2[nH]c3c(c2cc1C)cccc3,0.9784308671951294
C[C@@H](c1ccccc1)CCc1ccccc1,0.26352670788764954
CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.8838638067245483
NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.994184136390686
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.6918835639953613
[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.46326079964637756
OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.02267289347946644
CCCCC(CCCC)(CCC)S,0.10380105674266815
CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.00015726899437140673
Clc1cccc2c1c1ccccc1o2,0.712415337562561
NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.8847907781600952
N1CCNCC1,0.34715723991394043
O=C(c1ccccc1N)OCCc1ccccc1,0.18270453810691833
COP(=S)(Oc1ccc(c(c1)C)N)OC,0.7181454300880432
CCOc1ccc(cc1)N,0.6353439092636108
O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9916579127311707
[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9689537882804871
Oc1cccc2c1OC(C2O)(C)C,0.023969825357198715
CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.22835640609264374
OCc1cc2c([nH]1)c1ncccc1cc2,0.5259714126586914
[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.9739450216293335
CON(C(=O)Nc1ccc(cc1)Br)C,0.6185489892959595
Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9764903783798218
CCCCOC(=O)c1cccc2c1nccc2,0.008421989157795906
C(C1OC1)Cc1ccccc1,0.8806066513061523
OC(=O)c1ccccc1.[Na+],0.051504265516996384
O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.038501568138599396
NC(=O)C1CO1,0.7706776261329651
FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.006639120168983936
BrCC=C,0.5797432661056519
OCc1occ(c(=O)c1)O,0.43649858236312866
Clc1ccc(cc1)C[C@@H]1OC1,0.9275776147842407
CCOC(=O)C(=C)C,0.088065966963768
N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.8074593544006348
Oc1nsc2c1cccc2,0.5736154317855835
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.012894068844616413
O=Nc1cc2OCOc2cc1O,0.39330369234085083
CCOc1nc(NC(=O)N)nc(n1)NC,0.035506147891283035
Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.9357607960700989
OC(=O)CC(C(=O)O)N,0.0875561460852623
Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9327559471130371
CCNc1nc(NC(C)C)nc(n1)Cl,0.009738897904753685
ClCCN(P(=O)(O)N)CCCl,0.9885358810424805
C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.42082643508911133
O=C(C(F)(F)F)C(F)(F)F,0.17703798413276672
CCCCN(CC(OCc1ccccc1)CO)N=O,0.9889575839042664
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.19132353365421295
OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.7614773511886597
ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9115915298461914
CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,0.0007054501329548657
ONc1ccc2c(n1)n1cccc(c1n2)C,0.9904128909111023
CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.00027810203027911484
C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.30515289306640625
CC(=O)Nc1ccc2c(n1)cccc2,0.3766532838344574
CCSCSP(=S)(OCC)OCC,0.1176622286438942
OC(=O)Cn1cncn1,0.013206874020397663
COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.39444321393966675
NC(=O)c1cccnc1,0.05664027854800224
Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.9925752878189087
CCOP(=S)(SCSC(C)(C)C)OCC,0.1701955795288086
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.9953819513320923
CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.9616206288337708
Cc1cc(C)c2c(c1N)nsn2,0.826966404914856
CCc1cccc2c1nccc2,0.41702112555503845
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.39355871081352234
CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.37889334559440613
Nc1ccc(c(c1)N)[N+](=O)[O-],0.9913862943649292
CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9521484375
CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7870962023735046
CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.0030002635903656483
CCC(C(=O)NC(=O)N)(CC)Br,0.09797398746013641
CC[C@@H](NCCN[C@@H](CO)CC)CO,0.16865170001983643
ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.061572007834911346
ClCc1cnc(nc1Cl)Cl,0.18403425812721252
ClCc1ccc(cc1)OC(=O)C,0.3912457823753357
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,0.0016817415598779917
COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.9808306694030762
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.00947998184710741
CCOCC,0.2004574090242386
CC(OC(Cl)(C)C)(Cl)C,0.3633468747138977
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.0007803954649716616
O=C1C=CC(=O)C(=C1)Cl,0.3822285532951355
CCCCN(C[C@@H](CC)O)N=O,0.965447723865509
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.048165321350097656
CC(c1ccccc1)Cl,0.17918257415294647
CNC(=O)N(C(=O)C)O,0.058759115636348724
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.445442259311676
Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9929876327514648
Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9511793255805969
[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.753090500831604
ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.9068981409072876
CCCCCCCC(=O)Cl,0.6027746200561523
O=NN1CCC[C@@H](C1)Cl,0.9907729029655457
CC(C(=O)OC)CN=N#N,0.9518188238143921
[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9948440790176392
Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.5008029341697693
CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.8434335589408875
OC1C2OC2c2c(C1O)cccn2,0.04818878322839737
Fc1cc2cccnc2c2c1cccn2,0.8927024602890015
CC[N+](=NC)[O-],0.39849233627319336
OC(=O)/C=C/c1ccccc1,0.08204793184995651
Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.956460177898407
CS(=O)(=O)O,0.30958157777786255
C([C@@H]1OC1)C[C@@H]1OC1,0.7720401883125305
ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9667199850082397
OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,0.15579041838645935
O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.006648189388215542
Oc1ncc(cc1N)c1ccncc1,0.7000560760498047
C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.8091294169425964
Fc1cnc2c(c1)ccc1c2cccc1,0.4959777891635895
CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.9103988409042358
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8340948820114136
ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.636871874332428
O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.947741687297821
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.007399293128401041
CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.3604133725166321
N#Cc1c(Cl)cccc1Cl,0.08170415461063385
CC(Nc1ccccc1)C,0.48831039667129517
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.7589906454086304
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,0.10147964954376221
OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.025161584839224815
[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9989242553710938
FC(C(F)(F)F)C(F)(F)F,0.0716739073395729
Cc1ccc(c(c1)[N+](=O)[O-])C,0.32361268997192383
CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.12470275163650513
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,0.0003749468014575541
[O-][N+](=O)c1ccccc1Br,0.7242412567138672
O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.6401340365409851
CCCCCCCCSCN1C=CN(C1)C,0.01360289752483368
Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.0038809641264379025
O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9813597798347473
CNC(=O)O/N=C\C(SC)(C)C,0.0857773870229721
CN(CCOC(c1ccccc1)c1ccccc1)C,0.025722607970237732
CCSC(=O)N1CCCCCC1,0.0115859005600214
CC(=C)C=O,0.7067241072654724
Cc1cccc2c1cccn2,0.21914121508598328
CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9459742307662964
O1C2C1c1cscc1-c1c2csc1,0.9572026133537292
OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.7737470865249634
Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.7275612950325012
COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6944140195846558
OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.7071899175643921
OC(=O)Cc1ccc(cc1)Cl,0.0766005665063858
NCCCCCCCCCCC(=O)O,0.05163867399096489
OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.6038044095039368
[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.9256091117858887
OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7286565899848938
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.9499028921127319
Clc1cccc(c1)c1nc2c(o1)cccc2,0.04245861619710922
NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.0811498686671257
Sc1[nH]cnc2-c1ncn2,0.9175448417663574
Clc1ccc2c(c1)nc([nH]2)N,0.3814481496810913
BrCc1ccccc1[N+](=O)[O-],0.6274293065071106
ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.9830619096755981
Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.8186247944831848
OC(=O)c1cc(O)c(c(c1)O)O,0.10198135673999786
NCc1ccc(cc1)CN,0.1428922563791275
CNC(=O)ON=C(SC)C,0.21733443439006805
N#Cc1ccc2c(c1)nc([nH]2)N,0.44185662269592285
[O-][N+](=O)c1ccccc1N,0.9464582204818726
O=NN(Cc1ccc(cc1)C)C,0.9103918075561523
Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.6823133230209351
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.9007362127304077
OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.77507483959198
Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7076219320297241
OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6822259426116943
C1CC[C@@H]2[C@@H](C1)CCCC2,0.08399557322263718
COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.05288052558898926
BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.13478299975395203
Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9993629455566406
O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9189906120300293
CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.7639468908309937
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,0.02008006162941456
COc1cc(N)c(cc1N)[N+](=O)[O-],0.9985760450363159
CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.957668662071228
CC(c1ccccc1)CCN=N#N,0.9606048464775085
c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.9858394861221313
O1C(C1c1ccccc1)c1ccccc1,0.7451335787773132
COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.002217183355242014
BrCc1ccc(cc1)[N+](=O)[O-],0.7814585566520691
COC(=O)c1ccc(cc1)CN(N=O)C,0.7573091983795166
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.37143826484680176
Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.006127043627202511
O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.03313298523426056
O=NN(COC(=O)C)C,0.983864963054657
ONc1ccc(cc1)N=O,0.9898513555526733
COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.46023231744766235
COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.022254901006817818
O=C(OC(C)(C)C)CN=N#N,0.469369500875473
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.08622593432664871
CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9940136075019836
C1CC2CCc3c(C42C(C1)O4)cccc3,0.01112551148980856
O=Cc1ccc(cc1Cl)Cl,0.11691711843013763
O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.5350272059440613
COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.8646392822265625
N#CC1=C(SCCS1)C#N,0.28625693917274475
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.002324309665709734
Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.024112369865179062
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=CC1,0.02366171032190323
CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.14952751994132996
Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.11765135824680328
CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.9799972772598267
[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.9050506353378296
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,0.7058643102645874
BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.9682719111442566
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.019398633390665054
Clc1ccc(cc1)C(Cl)(Cl)Cl,0.8473829030990601
CNc1ccc2c(c1C)nc(c(n2)C)C,0.8770381808280945
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,0.9626822471618652
CN(N=O)C[C@@H](CO)O,0.9566653370857239
OC(=S)c1ccccc1,0.2712443768978119
NC(=S)NNC(=S)N,0.26481372117996216
O=C/C=C/c1ccco1,0.3422451317310333
Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.3098818063735962
OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,0.0007719696732237935
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4215455949306488
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.09870374947786331
Oc1ccc(cc1)Cl,0.11421377956867218
O=C1NCCN1c1nccs1,0.9714304804801941
CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.005425245966762304
CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7052022218704224
Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.571478009223938
CCCCCCCC[C@H]1CO1,0.29981446266174316
ONc1ccc(cc1)Oc1ccccc1,0.9091382026672363
BrC(Br)Br,0.365884006023407
CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.002957549411803484
C1CCOCO1,0.15665259957313538
N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.16915757954120636
CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7261132001876831
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6409893035888672
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9741228222846985
[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9889155626296997
Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9868380427360535
OC(=O)C(CCl)Cl,0.08932448923587799
CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.9671511650085449
OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.28276729583740234
Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.9120071530342102
OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.017823901027441025
O=Cc1cccc(c1Cl)Cl,0.053538136184215546
OC=O,0.3631541132926941
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]3[N@]4C[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,5.7738652685657144e-05
N#Cc1ccc(cc1)C1(C)OC1,0.6901108622550964
COc1ccc(cc1)CC[C@@H]1OC1,0.9447957873344421
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,0.6389096975326538
[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.7775252461433411
COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.7474541664123535
NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.9699106216430664
CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.01510698813945055
COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.026739105582237244
Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.5947539210319519
CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.015470335260033607
Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.9948661923408508
CCN(c1ccccc1)CC,0.47470006346702576
CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.010251455940306187
O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.27914705872535706
Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.5317592620849609
Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.9494072794914246
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+],0.0025050202384591103
Nc1ccccc1O,0.5682108998298645
OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.5834136605262756
CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.0567019060254097
CC[C@H](OS(=O)(=O)C)C,0.9386035799980164
NC(=O)N(c1ccccc1)c1ccccc1,0.6614415049552917
Nc1cccc(c1C)N.Cl.Cl,0.8725533485412598
ONc1ccc(cc1C)C,0.7852262854576111
Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.6177799105644226
C=CC(=O)OCC(C)(C)C,0.1596439927816391
COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.0701412484049797
Br[C@@H](C=O)CBr,0.9503797292709351
CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.3472122550010681
O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.861810028553009
OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.004304736852645874
CNC(=O)O/N=C/C(SC)(C)C,0.0857773870229721
FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.0008361696382053196
CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.2525743842124939
Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9900399446487427
COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.09448977559804916
Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9517419934272766
ClCCCN(COC(=O)C)N=O,0.9967212677001953
[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.9237545132637024
CN(C1Cc2cccc3c2c(C1)ccc3)C,0.8355482220649719
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,0.40016013383865356
ClCCC(=O)N(c1snc2c1cccc2)C,0.15662744641304016
BrCCOC(=O)CC(C(=O)OCCBr)O,0.9184728860855103
[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.8730189204216003
Nc1ccc(cc1)N=Nc1ccccc1,0.8503828048706055
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,0.15130044519901276
Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.012918720953166485
CCC1(C)CO1,0.2176678627729416
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.005873533431440592
CCCCN(/C(=N/O)/C=O)N=O,0.9620777368545532
C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.004706330597400665
COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.9530994296073914
Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6258471012115479
OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,0.3068680763244629
NCCN1CCNCC1,0.4760376513004303
C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.05439408868551254
CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.0014787514228373766
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9938534498214722
COc1nc2c(CBr)cccc2nc1OC,0.8221842646598816
CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.5353901386260986
O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.9994761347770691
CS(=O)(=O)OCCCCOS(=O)(=O)C,0.989022433757782
c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.11938128620386124
C[C@H](COC(C)(C)C)O,0.26957452297210693
CCOCC(=O)O,0.035590704530477524
Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.9911504983901978
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.42616814374923706
CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.08826075494289398
CCC(=O)N(c1ccc2c(c1)cccc2)O,0.507932186126709
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+],0.877668023109436
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.005172926001250744
CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.9924354553222656
Oc1c(O)cccc1O,0.29981014132499695
CCCc1ccc2c(c1)OCO2,0.15509167313575745
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,0.0005308404797688127
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.9751198887825012
O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4183114469051361
C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.0671805888414383
c1ccc(cc1)Nc1ccccc1,0.23766247928142548
OC(=O)C1CC1,0.10855722427368164
CC(COC(=O)C(=C)C)C,0.06310522556304932
[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9883216023445129
CC(CC(=O)Nc1snc2c1cccc2)C,0.1292037069797516
OCc1ccccc1[N+](=O)[O-],0.22186055779457092
OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.044711701571941376
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.0030190907418727875
O=C=S,0.36476099491119385
OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.055051326751708984
COc1c(Cl)ccc(c1C(=O)O)Cl,0.13569201529026031
N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.0066945673897862434
CNC(=O)c1ccccc1,0.09412930905818939
CC(C(CBr)Br)Cl,0.970246434211731
N#CCNC(=O)c1cnccc1C(F)(F)F,0.03377110883593559
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.00947998184710741
[O-][N+](=O)c1ccc2c(c1)NCC2,0.972901463508606
Nc1ccc(cc1)c1ccccc1,0.8197223544120789
CN(CCN(c1ccccc1)Cc1ccccc1)C,0.08405306190252304
COc1cc(OC)c(cc1C1OC1C)OC,0.5743727684020996
COP(=O)OC,0.3292773365974426
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.05303114652633667
OC(COc1cccc2c1C=CC2)CNC(C)C,0.1159137710928917
O=C1C=CC(=O)c2c1c(O)ccc2O,0.8140532374382019
COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.5960792303085327
BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.9205703735351562
OC(=O)CS,0.25578421354293823
[C-]#N,0.36170732975006104
CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9889664649963379
c1cccs1,0.24474938213825226
CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.009232744574546814
OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.20469863712787628
COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.9292922019958496
C/C=C/C,0.26114675402641296
CCCCOC(=O)C=C,0.011899777688086033
OC(c1c(C)cccc1[N+](=O)[O-])O,0.5393785238265991
N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.9508355259895325
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9879201650619507
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,0.03434588015079498
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,0.6784714460372925
CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.7122965455055237
OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.008320878259837627
CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.012267346493899822
Nc1ccc2c(c1)nc1c(c2N)cccc1,0.9304181337356567
CC(Cc1ccccc1)N,0.23709321022033691
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9702914357185364
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.005028017796576023
NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.004302085842937231
C=CCc1ccc(c(c1)O)O,0.1039852648973465
OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],0.9450014233589172
Cc1cc2n(C)c(nc2c2c1nccn2)N,0.9026232957839966
CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.25670379400253296
CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.04576212912797928
c1cccnc1,0.17650246620178223
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.19085046648979187
Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.8573344349861145
CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.8117791414260864
Clc1ccc(cc1)c1nc2c(o1)cccc2,0.021906379610300064
[O-][N+](=O)CCC,0.34439483284950256
OC(=O)[C@@H]1CSCN1,0.3818991780281067
c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.16651707887649536
Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9939578175544739
N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.9496738314628601
C1COCCS1,0.4011506140232086
OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.8596202731132507
Oc1ccc2c(c1)OCO2,0.3688949942588806
O=c1ccc(c[nH]1)C(F)(F)F,0.3590563237667084
CCOC(=O)C[n+]1csc2c1cccc2,0.1004781574010849
COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.6106589436531067
CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.8274608850479126
CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.04180771857500076
CCc1cccc(c1N)C,0.20306888222694397
c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9203546643257141
ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.9436513781547546
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.04697570949792862
CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.2623739242553711
C[C@H]([C@@H](CBr)Br)Cl,0.970246434211731
O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.9592742919921875
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.22981444001197815
O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.058818019926548004
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.13362464308738708
O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.6416274309158325
OO[C@@H]1CCCc2c1cccc2,0.7910158038139343
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.010046963579952717
CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8838638067245483
Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.2823331952095032
O=CN(c1ccccc1)O,0.5872734785079956
O=c1[nH]cc(cc1Cl)C(F)(F)F,0.0833720788359642
O=C(Nc1ccccc1)CC(=O)C,0.029025021940469742
Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.8984375
CCOS(=O)(=O)OCC,0.8844286799430847
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.9910562634468079
O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.2535152733325958
O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.9530851244926453
CO[C@@H]1OC1(C)C,0.634531557559967
[O-][N+](=O)[C@@H](CC)Cl,0.34879249334335327
O=NC([N+](=O)[O-])(C)C,0.49369820952415466
Clc1ccc(cc1)Cl,0.1980004459619522
N#CCC[C@H](C#N)C,0.11637034267187119
Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.060114406049251556
N#Cc1cc(c2ccncc2)c(nc1O)C,0.02179645374417305
OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.49003738164901733
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,0.0072228447534143925
[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.9761093258857727
O=C([C@@H]1OC1)NCc1ccccc1,0.981009840965271
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.023103157058358192
CCC(=O)O.[Na+],0.04935383051633835
CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.43815088272094727
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,0.11573020368814468
CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9092270135879517
C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.42844638228416443
CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.12040606886148453
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.9505597352981567
Nc1cnc2c(c1)cccc2,0.9149290919303894
CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9964529275894165
CC(NCC(c1ccc2c(c1)cccc2)O)C,0.07518196105957031
CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.018023770302534103
COc1ccc2c(c1)nc(n2C)N,0.930644154548645
O1C=CC2C(C=C1)O2,0.5468501448631287
Nc1sc2c(n1)c(C)ccc2,0.5851619839668274
CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.00224702968262136
O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.8456742167472839
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.09908591955900192
O=Cc1ccc(cc1)N,0.4172794818878174
OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.9250127673149109
OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7889700531959534
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9813151359558105
N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.8278201818466187
O1Cc2c(C1)cccc2,0.16375598311424255
OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.7359911203384399
C[Si](N[Si](C)(C)C)(C)C,0.36386483907699585
CC1c2ccccc2-c2c1cc(C)c(c2)C,0.9563641548156738
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.9357534646987915
O=C(c1ccccc1)OOC(C)(C)C,0.046896908432245255
CS(=O)C,0.312142014503479
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,0.10147964954376221
CC(=O)c1ccccc1,0.18577423691749573
O=C1OC2=CCO[C@H](C2=C1)O,0.500206470489502
O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.9984158277511597
N#CCC#N,0.24659161269664764
CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.044796448200941086
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5785536766052246
CCCCCC/C=C\CCCCCCOC(=O)C,0.038942817598581314
CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.5504202246665955
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,0.05070003122091293
COc1ccc(cc1)Nc1ccc(cc1)OC,0.4197514057159424
Nc1ccccc1.Cl,0.6956984996795654
O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.0007373837870545685
CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.9413518905639648
Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.5853456258773804
FC[C@H]1CO1,0.9097282290458679
Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.9464996457099915
BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.1785133332014084
NC1CCCC(C1)N,0.034208185970783234
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.0053149014711380005
COC(=O)c1ccccc1O,0.056299567222595215
O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9983465075492859
CC(c1ccc(cc1)NC(=O)N)C,0.05297931283712387
O=C1COC(=C1O)C,0.7695002555847168
Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9771296381950378
OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,0.8381379842758179
OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.010547803714871407
CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.9856759905815125
[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.5010222792625427
Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8986040949821472
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.40873003005981445
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9114178419113159
CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.010468440130352974
CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.9725233912467957
CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.6600492596626282
[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.984785258769989
CCNc1nc(NC(C)C)nc(n1)O,0.007187900133430958
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.00032276849378831685
CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.9119176864624023
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.005602706223726273
Cc1cc2c(NC(=O)CCl)snc2cc1,0.8957186937332153
Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.9955684542655945
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,0.7165428996086121
O/N=C/C1N(CCN(C)C)C=CN1C,0.01741417497396469
[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6687882542610168
Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.06054995581507683
CCN(c1ccccc1)N=O,0.9266635775566101
COC(=O)C1=C(C)C(OC1=O)(C)O,0.7850855588912964
CCCCN(CCCC)CCO,0.061976511031389236
CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.9201884269714355
CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5345057249069214
CCOC(=O)C1C(C1(C)C)C=C(C)C,0.37276846170425415
c1coc(c1)c1nc2c([nH]1)cccc2,0.5155069828033447
COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2499738186597824
O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.029733147472143173
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.9996763467788696
[O-][N+](=O)/C=C/c1ccco1,0.552729606628418
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,0.48397713899612427
Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7198977470397949
C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.9511381387710571
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.9285387992858887
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.5797504782676697
O=C(C1(C)OC1)Nc1ccccc1,0.8540775179862976
Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9800623655319214
Fc1ccc(c(c1)F)N,0.946483314037323
CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.6555328369140625
c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9510995745658875
CCCCOCC=O,0.14604158699512482
COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.29755792021751404
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,0.0018418654799461365
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9494601488113403
N#CC1=Cc2c3c1cccc3ccc2,0.8624204397201538
OC(=O)c1cc(O)c2c(n1)cccc2,0.07048015296459198
Cc1cccc(c1O)C,0.12279321253299713
O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.8228168487548828
OC(=O)CC[C@@H](C(=O)O)N,0.1381767839193344
OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.04566829651594162
Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.4546099603176117
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9458597302436829
COCC12OOC2(C)c2c(O1)cccc2,0.4105071425437927
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,0.011033440008759499
OCc1ccc2-c1cc(ccc2C)C(=C)C,0.3221706449985504
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9799907803535461
NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.7093265652656555
COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9929701089859009
OC(=O)c1cccc2c1OC(O2)(F)F,0.013810163363814354
CC1=CCC(CC1)C(O)(C)C,0.04633708670735359
CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.030674656853079796
[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6399096250534058
CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.0016880430048331618
C[C@]1(OC1)c1ccccc1,0.8174473643302917
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.046817753463983536
O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7171970009803772
Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.8529969453811646
CC[C@H]([C@@H](CO)C)C,0.21856370568275452
FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.0286345724016428
O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8048934936523438
OCCBr,0.8486930727958679
OCNC(=O)C=C,0.427659809589386
Oc1nc(O)nc(c1)C(=O)O,0.012387839145958424
C/C(=C\C)/C#N,0.04638388752937317
Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.050313372164964676
CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.05887458845973015
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,0.0001000666743493639
OCc1c(CO)cnc(c1O)C.Cl,0.021286485716700554
C=C1CCC2CC1C2(C)C,0.010881357826292515
[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9186025857925415
ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.7757773399353027
C[n+]1cccc(c1)OC(=O)N(C)C,0.03122374415397644
C[C@H]1CN1,0.21412572264671326
COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9697249531745911
c1ccc2c(c1)nccc2,0.5341776609420776
OCC1OC(CC1O)n1cc(O)c(nc1=O)N,0.012994739226996899
Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.3709315061569214
c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9886250495910645
COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.8993483781814575
O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.004006774630397558
Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.0121778454631567
ONC(=O)c1ccc(c(c1)O)O,0.8674097061157227
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.4171920418739319
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9919158220291138
CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.011057469062507153
CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8399115800857544
OC[C@@H](CCl)Cl,0.9268989562988281
COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.6021803021430969
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.8626281023025513
[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8597696423530579
N#CC(C(C#N)(C)C)(C)C,0.2672102451324463
Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.17363077402114868
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.9868816137313843
COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.8655580282211304
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,0.6627989411354065
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.8401917219161987
CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.6662267446517944
CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8579344749450684
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9986332058906555
ClCCN(CCCl)CCCl,0.9333782196044922
CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.003488744841888547
Fc1cc2cccnc2c2c1cccc2,0.805855393409729
ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.05627830699086189
CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7796996235847473
[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8908808827400208
COc1nsc2c1cc(cc2)[N+](=O)[O-],0.9745959043502808
COc1cc(CNC(=O)C(Br)C)ccc1OC,0.9834268689155579
c1ccc2c(c1)c1ccccc1cc2,0.7415941953659058
CCCCCCCCC=O,0.10778234899044037
CCOC(=O)C(=O)C,0.18113672733306885
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.006976949516683817
CCCCCON=O,0.8550515174865723
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.06871892511844635
O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9046826362609863
CCCCN(CCC(=O)O)N=O,0.9540855288505554
CCO,0.27634352445602417
COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.030587464570999146
O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.4767228662967682
COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.015199844725430012
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)OCO4,0.4096168577671051
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.14837543666362762
[O-][N+](=O)NC,0.5953100323677063
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.1383773386478424
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9223760366439819
CC(O)(C)C,0.45161399245262146
OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.012217913754284382
OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.00822283886373043
CC(C(=O)N)Br,0.8763678669929504
CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.8125560879707336
COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.7485061883926392
Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.05429304763674736
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.03797011077404022
O=NN(C(C(=O)C)OC(=O)C)C,0.9190607070922852
OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9664217233657837
CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.01861437037587166
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,0.0667148232460022
CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9030308723449707
Nc1ccc2c(c1)c1ccccc1n2C,0.9880420565605164
Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.8858092427253723
OCC(C(c1ccccc1)N=N#N)O,0.674225926399231
COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.549776017665863
[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9941120147705078
CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.18278995156288147
CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.20364804565906525
COS(=O)(=O)C,0.9811638593673706
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,0.9220072627067566
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.011698080226778984
NC(=O)Cc1cccc2c1cccc2,0.6543668508529663
CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.0651712641119957
c1ccc(cc1)Nc1cccc2c1cccc2,0.4490172863006592
[O-][N+](=O)c1cccc2c1nsc2,0.9399802088737488
O[C@@H]1OC(=O)C=C1CCl,0.9712589383125305
Nc1[nH]nc(n1)N,0.31544506549835205
Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8749594688415527
OCc1cc2ccccc2c2c1c1ccccc1cc2,0.5630778074264526
[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.9638322591781616
[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9897732734680176
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.9590848684310913
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9925994873046875
OC(=O)C[C@H](C(=O)O)O,0.06936152279376984
CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.8752428889274597
OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.010767191648483276
O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.6608906984329224
O=NN(c1ccccc1)COC(=O)C,0.8970235586166382
COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.030587464570999146
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.455410897731781
O=C1C=CC(=O)C=C1,0.2741706967353821
O1C[C@@H]1Cc1ccccc1,0.9620122909545898
COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.0006280835950747132
O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.04881460592150688
Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9483532905578613
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9597439765930176
Nc1ccc2c(c1)cns2,0.9680944681167603
C1CCCCNC1,0.15934446454048157
O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.8706921339035034
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9960772395133972
CCCCC/C(=C\c1ccccc1)/C=O,0.08028039336204529
C[C@H]1CS1,0.11778505891561508
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.0035232503432780504
c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8478679656982422
OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.00046219181967899203
[O-][N+](=O)c1ccccc1C(=O)C,0.743107259273529
S=C(NC1CCCCC1)NC1CCCCC1,0.3131302297115326
O=C/C(=C/c1ccccc1)/Br,0.7995705008506775
CC(CNc1snc2c1cccc2)C,0.06872359663248062
Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.21922433376312256
CC(=O)N(c1ccc2c(c1)cccc2)O,0.7406116724014282
OC(=O)CC(C(=O)O)O,0.06936152279376984
Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.9549410939216614
[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.9756571054458618
CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.000988550717011094
OCC(=O)Nc1c(CC)cccc1CC,0.08121418207883835
c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.8898999094963074
Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.929702639579773
CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.9946197271347046
ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9986515045166016
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.0955420732498169
Nc1nc2c(s1)cccc2,0.6081531643867493
NC(=N)S(=O)O,0.36175304651260376
O=NN1CCCC[C@H]1C,0.966850757598877
O=CCC(CCC=C(C)C)C,0.12312625348567963
OC(=O)c1cccc(c1)C(=O)O,0.044703856110572815
O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.820253849029541
Nc1ccccc1N,0.6720970869064331
OCC(CBr)(Br)C,0.2216232717037201
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9986451268196106
CCCCOP(=O)(Oc1ccccc1)OCCCC,0.04176044091582298
OC(=O)c1ccc(c(c1)N)C,0.5696496963500977
Nc1ccccc1c1ccccc1,0.7986894845962524
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,0.006438369397073984
CCc1cccc(c1N)CC,0.19895991683006287
COc1cc2nc3cc(N)ccc3nc2cc1N,0.9866143465042114
Cc1ccc(c(c1)C)[N+](=O)[O-],0.6668763756752014
C/C=C/c1ccc2c(c1)OCO2,0.19965870678424835
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.9951422810554504
Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.7510522603988647
Nc1cn[nH]c(=O)c1Cl,0.25829124450683594
Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.9706063270568848
Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8248916864395142
Nc1cccc(c1)[N+](=O)[O-],0.9770017862319946
O=C1OC(=O)c2c1cccc2,0.2071138620376587
ClCC(=O)c1ccccc1,0.7813359498977661
OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.9114145040512085
Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7173416614532471
Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9863726496696472
ClC(Br)Br,0.368074893951416
Fc1ccc(c2c1ccc1c2cccn1)F,0.7831423878669739
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.42992764711380005
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.006386139430105686
Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9940276145935059
CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.34663933515548706
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9937072992324829
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,0.004837636835873127
CC(=O)c1ccccn1,0.7069270014762878
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.06741447746753693
C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9192186594009399
CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7099573016166687
CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9975361824035645
BrC(C(Br)Br)Br,0.36799129843711853
Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8587120771408081
CC(OC(=O)C(=C)C)C,0.19318637251853943
OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,0.12354815006256104
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.9987314939498901
O=CC1C=COC=C1,0.4562920033931732
COc1nncc2c1cccc2,0.15167956054210663
C1=C[C@@H]2[C@H](C=C1)O2,0.21605411171913147
CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.011293304152786732
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.42548951506614685
Nc1ccc(cc1)/N=N/c1ccccc1,0.8476875424385071
Nc1nc(nc(n1)Cl)NC(C)(C)C,0.012250607833266258
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.9901849627494812
Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.024468831717967987
O=C/C=C\c1ccccc1OC,0.7165364027023315
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,0.001488649402745068
O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9997094869613647
O=C(C1OC1)Nc1ccccc1,0.96037757396698
OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.6644572615623474
O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.022903691977262497
Cc1ccc(c(c1O)C)C,0.15648140013217926
COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9946931600570679
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,0.7013868093490601
COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.9550786018371582
Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.9944454431533813
CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.09197081625461578
ONc1ccccc1,0.8386822938919067
CCCN(CCCCO)N=O,0.980197548866272
OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.6395716667175293
CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.05070596933364868
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9896509051322937
[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9480379819869995
CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.29849863052368164
[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8091127276420593
Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.993015468120575
CNC[C@H](c1cccc(c1)O)O,0.008618141524493694
Oc1cccc2c1cccn2,0.5640732049942017
[O-][N+](=O)c1c(C)cccc1C(=O)O,0.33680230379104614
Cc1cc(C)cc(c1)C,0.3024233281612396
[O-][N+](=O)c1cncn1C,0.9189450144767761
Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.1730712354183197
Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.9522894024848938
ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.8297895193099976
[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7150932550430298
[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.998217761516571
c1ccc2c(c1)oc1c2cccc1,0.6238795518875122
BrC(C=O)CBr,0.9503051042556763
Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9807599782943726
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.1370534598827362
COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6864842176437378
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.06610439717769623
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.7347609400749207
CN(c1ccc(cc1)N=Nc1ccccc1)C,0.7765363454818726
Nc1ccc2c(c1)cccn2,0.948359489440918
CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.9948619604110718
O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.03337179869413376
O=C=Nc1cccc2c1cccc2N=C=O,0.9363930821418762
CCOc1ccccc1[N+](=O)[O-],0.5065730810165405
ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.955265998840332
Cc1cc2ccccc2c2c1c1ccccc1cc2,0.855292022228241
NNc1nnc(c2c1cccc2)NN,0.9249804615974426
CCCC(=O)OCCC(C)C,0.018435586243867874
ClCc1ccc(cc1)OC,0.6027995347976685
O=c1ccoc(c1O)C,0.5611697435379028
[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.9874647259712219
O=NN(CC(=O)O)CC(=O)O,0.6770442128181458
Oc1nc(Cl)nc(n1)Cl,0.1597677767276764
ClCC(=O)Nc1snc2c1cccc2,0.9406096339225769
C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.7918745279312134
OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.12119247764348984
O=C1c2ccccc2C(=O)C1(O)O,0.21628542244434357
Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.2936747670173645
Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.7837603092193604
ClCCC(CBr)Br,0.9579300880432129
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,0.8885489702224731
O=NN(C(=O)N)C,0.975710391998291
ClCCN(C(=O)NCC(=O)N)N=O,0.9984859228134155
CC(=O)Nc1ccc(cc1)O,0.37795940041542053
Cc1ccc(c(c1)N)N,0.4909696578979492
OCCN(N=O)CC,0.9898197054862976
O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9906970858573914
CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.6996585130691528
[O-][n+]1ncc2c(c1)nccc2,0.13644519448280334
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.00034782648435793817
Cc1ccc2c(c1C)c1ccccc1cc2,0.7272528409957886
OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.4333929419517517
CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.45558270812034607
N/N=c/1\sc2c(n1C)cccc2,0.9040386080741882
NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.05143777281045914
Fc1cnc2c(c1)c1ncccc1cc2,0.44688525795936584
OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.09389449656009674
OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.9660753011703491
CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.3591201901435852
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,0.9983550906181335
[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.9524280428886414
OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.18540653586387634
Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.1834365725517273
CC(=O)OCN([N+](=O)[O-])C,0.9428081512451172
c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9892960786819458
CC#N,0.26556289196014404
CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.08929947763681412
[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9280840754508972
CCCN(C(=O)SCC)CCC,0.021086592227220535
OC(=O)CBr,0.2573964595794678
O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.5317972898483276
CC(CC(=O)CC(C)C)C,0.2048090398311615
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,0.9724810719490051
Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.06303597241640091
[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.6293312311172485
c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9600641131401062
O=Nc1ccc(cc1)Oc1ccccc1,0.963003933429718
CC(=S)N,0.36189883947372437
CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.002182090189307928
OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.0040548378601670265
Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9606688618659973
c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8593385815620422
Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8924266695976257
CC([N+](=O)[O-])(Cl)C,0.5045628547668457
O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.9954417943954468
N#Cc1cc(Br)c(c(c1)Br)O,0.140191912651062
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,0.8510071635246277
Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.006218439433723688
CC(=C)C1CCC2(C(C1)O2)C,0.181578129529953
O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.08075038343667984
O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.7661823630332947
CC(=O)Nc1cccc(c1C(=O)O)N,0.3200701177120209
O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.47155600786209106
Nc1ccc2c(c1)nccc2,0.9012072682380676
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,0.00228654476813972
Clc1nncc2c1cccn2,0.09099321812391281
NC(C(=O)O)Cc1ccccc1,0.2871801555156708
CCCCN(CC(c1ccc(cc1)O)O)N=O,0.9002361297607422
CC(=O)CC(=O)C,0.08091660588979721
CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.04213625565171242
OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9897468686103821
CCOC(=O)N(C)C,0.08990788459777832
OC(=O)c1cccc(c1Cl)Cl,0.014353061094880104
Nc1cc2nc3ccccc3nc2cc1O,0.6748450994491577
O=Nc1ccccc1c1ccccc1,0.9011273384094238
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8709880113601685
CCC(=O)C(=O)C,0.9376152157783508
O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.5253564715385437
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.02580951154232025
CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.08211370557546616
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,0.0140410540625453
Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.38766375184059143
c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.996112048625946
OCN=N,0.5043161511421204
OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.9527286291122437
Nc1cccc2c1cccc2N,0.7555110454559326
CCOC(=O)[C@H](Br)C,0.8441259264945984
OC1C(O)c2cccc3c2c2c1cccc2cc3,0.2619512677192688
Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9653409123420715
CNc1ccc2c(c1C)nc(cn2)C,0.8789626955986023
C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.8041628003120422
CCCCC=O,0.21387715637683868
OCC(CBr)(CBr)CO,0.6463233232498169
OCCNc1ccc(cc1[N+](=O)[O-])N,0.9647964239120483
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.987959086894989
CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.004599526524543762
O=C1NS(=O)(=O)c2c1scc2,0.022818807512521744
OC(CN=N#N)CN=N#N,0.9716744422912598
c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9890791773796082
Cc1cc(ccc1N)N=Nc1ccccc1C,0.9447059631347656
CC(OP(=O)(F)C)C,0.03687124326825142
O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.0029094719793647528
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.6739341020584106
c1ccc2c(n1)C1OC1C1C2O1,0.0572909340262413
COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00024148011289071292
Clc1ccc(cc1)S(=O)(=O)C,0.09693840146064758
C=CC(=O)OCCCCCC(C)C,0.00895792804658413
OCCOCCOCCO,0.09293986856937408
CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.8312597274780273
Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9652770161628723
CCCC(=O)Cl,0.8888312578201294
CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.03317539021372795
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.01611860655248165
[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.8942428827285767
O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.36713722348213196
COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.8978667259216309
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,0.2050870656967163
O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.07318843901157379
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,0.52854984998703
ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.996116042137146
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9424842000007629
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.29439327120780945
COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.024039719253778458
Cc1cccc(c1)C,0.2405659258365631
BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9545019865036011
CCCCOCCCC,0.0869743600487709
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.01315848995000124
Nc1ccc(cc1Cl)C(F)(F)F,0.3439945876598358
CN1CCC[C@@H]1c1cccnc1,0.0314885713160038
CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.041509464383125305
Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.026646990329027176
OCc1ccco1,0.6163798570632935
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.03787196800112724
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7498423457145691
CCCCOB(OCCCC)OCCCC,0.1453407257795334
CC[C@H]1CO1,0.7696234583854675
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,0.3323744237422943
OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.7190366983413696
CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.9985561370849609
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,0.2958604693412781
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.967175304889679
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,0.15209846198558807
O=C=Nc1ccc(cc1)N=C=O,0.7327843308448792
COc1ccc(c(c1)O)C(=O)c1ccccc1,0.8461228609085083
C[C@H](CCC(=O)c1cocc1)O,0.3128071427345276
ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9970208406448364
CCCC[C@H](CN)CC,0.038768041878938675
[O-][N+](=O)c1ccccc1[O-].[Na+],0.3694065511226654
COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.9417840242385864
O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.679885983467102
[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9974006414413452
Cc1cc(nc(n1)N)C1CC1,0.05273778364062309
OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.9660753011703491
CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9995814561843872
Nc1cc(Cl)cc(c1)Cl,0.3800308406352997
[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9854322671890259
C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.9360531568527222
CC(C[C@@H]1NC(=O)CNC1=O)C,0.04621778801083565
C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0.006826844997704029
[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.1183338314294815
CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.06687403470277786
C=CCOC(=O)c1ccccc1N,0.048596274107694626
BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8114733695983887
CC1CCCC1,0.11003585159778595
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.6821545958518982
CC(OS(=O)(=O)c1ccc(cc1)C)C,0.46643194556236267
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.004313272424042225
COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.259778767824173
O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.9135276079177856
Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8933595418930054
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.004023795481771231
c1ccc(cc1)c1ccccc1,0.49187225103378296
O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9390989542007446
O=C1C=CC(=O)c2c1c(O)ccc2,0.794791579246521
O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.34132903814315796
O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.9897568821907043
Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.02124391309916973
CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.8453727960586548
O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.8227460980415344
CNc1ccc(cc1)[N+](=O)[O-],0.8775991201400757
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,0.0006604584050364792
CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.9979289174079895
c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.46175259351730347
Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.0039831544272601604
OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.5506389737129211
[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9216235876083374
COc1nsc2c1ccc(c2)[N+](=O)[O-],0.9914499521255493
CN(N=Nc1ccc(cc1)Br)C,0.5123680233955383
CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.867711067199707
OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.07654163241386414
COc1cc(ccc1OC)CC1CO1,0.9812884330749512
CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.00569380447268486
Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.9678522348403931
N#CC(/N=N/C(C#N)(C)C)(C)C,0.05798082426190376
O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.7358186841011047
O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.8982056379318237
CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.010656538419425488
OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.15443620085716248
OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.07633303105831146
NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.204214408993721
Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9420450925827026
COCCCN,0.5268037915229797
OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,0.005519929341971874
c1ccc2c(c1)Sc1c(N2)cccc1,0.5856468677520752
CC(=CCC1CCCC1=O)C,0.09425320476293564
CCCC(=O)Nc1snc2c1cc(C)cc2,0.12985940277576447
NC(=O)NCC(=O)O,0.7488613128662109
O=C1CC[C@H](N1C)c1cccnc1,0.014630970545113087
CC(=O)O,0.09113780409097672
FC(OC(C(F)(F)F)Cl)F,0.16566459834575653
CC=C,0.2787688672542572
ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.7932865619659424
ClCCN(C(=O)NC1CCCCC1)N=O,0.9957731366157532
C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.03211257606744766
CC(C(C)(C)C)OP(=O)(Cl)C,0.021120253950357437
BrCc1c2ccccc2c(c2c1cccc2)C,0.8039795160293579
BrC(C1=C(Br)C(=O)OC1)Br,0.9685474634170532
CCCCCCCCCCCCCCCCCCO,0.041915714740753174
Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.8601939082145691
CN(/N=N/c1ccc(cc1)Cl)C,0.7754413485527039
c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.3229883909225464
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8774088025093079
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)cccc1,0.7881146669387817
COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.970189094543457
O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.4578174650669098
N#C[C@@H]1COCC[N@]1[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,0.4044337272644043
N#CC(c1cccc(c1)Oc1ccccc1)O,0.08022177219390869
OCC1OC(CC1O)n1cc(I)c(nc1=O)N,0.027136672288179398
O=C1NCC(=O)N1,0.6772274971008301
CCCC[C@@H](C(=O)O)CC,0.017696084454655647
Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.946160614490509
[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.8936862945556641
c1ccc2c(c1)cc1c3c2cccc3C=C1,0.980934739112854
Cn1cnc2c1ccc1c2cccn1,0.6905121803283691
O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.005159356165677309
[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.6112011671066284
NCc1cccc(c1)CN,0.12504950165748596
CCCCCCCCCCCCc1ccccc1,0.04250292107462883
C=CCc1ccc(cc1)O,0.0951823964715004
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.004994142800569534
O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.14861240983009338
O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.4102092385292053
O=c1[nH][nH]c2c1cccc2,0.10736601054668427
C/C=C/C1OC(=O)C=CC1O,0.5101242065429688
c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.7796258926391602
Brc1cccc(c1)[N+](=O)[O-],0.422218382358551
Clc1ccc(c(c1)Cl)O,0.03153504803776741
O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.5287483334541321
Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.9411450624465942
CNCC(c1ccc(c(c1)O)O)O,0.030503327026963234
OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.030389901250600815
CC1CCC2CC1C2(C)C,0.3126499056816101
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.3059956431388855
Fc1ccccc1,0.26938360929489136
COc1ccc(cc1)CN(N=O)C,0.957506000995636
Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.6747334599494934
C=CC(=O)NCCCN(C)C,0.24379220604896545
Clc1ccc(cc1)CNC1CCCC1,0.014772782102227211
BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.8154864311218262
COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.5505322813987732
CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.3144407868385315
CCCCCCCCCCCC(=O)C,0.006571930833160877
BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8205529451370239
OCCOCC,0.048095665872097015
Brc1cc(Br)c(c(c1)Br)O,0.07926739007234573
Cc1nnc(c(=O)n1N)c1ccccc1,0.9046136140823364
Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9767061471939087
O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.7925261855125427
CC(C#N)O,0.265312135219574
OCc1ccnc2c1cccc2,0.061572570353746414
O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.0075768218375742435
O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.1631793975830078
CC1=CC(C)(C)Nc2c1cccc2,0.10244645178318024
CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.003861271543428302
c1ccc2c(c1)snc2,0.7956889867782593
Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.03657440096139908
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.025446170940995216
ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.006636636797338724
O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.06058599427342415
Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.9644901156425476
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.0011857261415570974
Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6733991503715515
O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.16597053408622742
CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.7407774925231934
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.6396105885505676
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.931479811668396
COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9864886999130249
S(Cc1ccccc1)SCc1ccccc1,0.1636263132095337
Nc1ccccc1SCCSc1ccccc1N,0.7958067059516907
COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.16035018861293793
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.8679794073104858
O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.7192386388778687
C[C@H](CN)O,0.08549971133470535
O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.496633917093277
C=CC(=C)Cl,0.5630334615707397
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,0.03387831896543503
O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.024952802807092667
CC(C#N)C=C,0.09875350445508957
O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,0.8461845517158508
COc1ccc(cc1)C[C@@H]1OC1,0.9850853681564331
Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11169970035552979
CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.6789047122001648
NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.12087532132863998
c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8411523103713989
CCN=[N+](C)[O-],0.22879178822040558
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,0.019521508365869522
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.054045163094997406
C=CC(=O)OCC(C)C,0.04652096703648567
O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.005242272280156612
COCN(c1c(CC)cccc1CC)C(=O)CO,0.5562288165092468
Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.8787148594856262
CC(=O)C=C,0.401506245136261
CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.8341846466064453
CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.06839053332805634
Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9845744967460632
ClCC(=C)Cl,0.8171404600143433
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.013385298661887646
c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9957767724990845
CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.8113033175468445
c1ccc(cc1)c1nc2c(o1)cccc2,0.07914932072162628
CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5086624026298523
NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.03500575199723244
ClCc1cccnc1,0.1501198559999466
OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.07098664343357086
O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9962809681892395
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.04898324981331825
BrCC(=O)N(Cc1ccccc1)C,0.04997403547167778
[O-][N+](=O)CCC(=O)O,0.14139291644096375
Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.0019170349696651101
[O-][N+](=O)[CH-]C,0.31827670335769653
O=Nc1n(C)cnc1c1ccccc1,0.9117329716682434
CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.04214561730623245
Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.5029787421226501
COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.0445563830435276
Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.9374402165412903
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.049167029559612274
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,0.9153324961662292
Clc1cc(N)c(c(c1)C(=O)O)Cl,0.08648313581943512
COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9861591458320618
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.002508552046492696
Nc1cccc2c1nc1c(N)cccc1n2,0.9356307983398438
OC1C=Cc2c(C1O)c1cccnc1cc2,0.3072224259376526
Nc1ncnc2c1cnn2CC(CN=N#N)O,0.9922386407852173
OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.00047601907863281667
C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.01132978592067957
c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.995895266532898
CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.32074683904647827
CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9698007702827454
OCC1=CCN2[C@H]1[C@H](O)CC2,0.13213443756103516
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.028963163495063782
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.980178952217102
CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.02259434014558792
NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.37877607345581055
FCC(F)(F)F,0.26723718643188477
Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0012012432562187314
O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9949720501899719
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8711076974868774
C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.8104476928710938
CNC(=O)Nc1ccc(cc1)C(C)C,0.016330968588590622
[O-][N+](=O)c1ccc(c(c1)C)N,0.9177838563919067
OC(CN=[N+]=[N-])CN=[N+]=[N-],0.9391860961914062
c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.6514692306518555
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)c1ccccc1,0.09619753062725067
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.8423471450805664
Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9807599782943726
Oc1ccccc1c1nc2c(o1)cccc2,0.256390243768692
COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.7818487882614136
O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.8659795522689819
[O-][N+](=O)c1cnc(s1)N,0.9385684132575989
ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.994532585144043
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.023127194494009018
O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.1941778063774109
c1cnc2c(c1)C1OC1C=C2,0.41889721155166626
CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.5332303643226624
O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.8952314257621765
Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.6940010190010071
Cc1cnc2c(c1)cccc2,0.3536873459815979
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.009419840760529041
CCOC(=O)C(=C)C#N,0.26255932450294495
O=S1(=O)CCCO1,0.9603209495544434
C=C[C@H](c1ccc2c(c1)OCO2)O,0.10567475855350494
CC12OC1C1CCCCC1c1c2cccc1,0.019530123099684715
CCCCOCCOCCOCCCC,0.09875331073999405
COC(=O)c1oc(c(c1Cl)Cl)N,0.6429523825645447
CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.03176982328295708
OCC([N+](=O)[O-])(CO)Br,0.4670048654079437
O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,0.960480809211731
CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.5858863592147827
O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.05084812641143799
Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.9768945574760437
c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.5469934344291687
OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.122408427298069
CCOc1ccccc1N,0.837003231048584
NC(=N)NC#N,0.3277592360973358
CC1(OC1)c1ccccc1,0.8458715677261353
Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9031559228897095
Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6647437810897827
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.9814753532409668
Cc1ccc2c(c1)ccc(=O)o2,0.41083812713623047
O=c1n(CC2CO2)sc2c1cccc2,0.9754633903503418
OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,0.48156294226646423
[O-][N+](=O)[C@@H](CO)C,0.3059599995613098
CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9744657278060913
CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.9803606867790222
OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.018054615706205368
COP(=O)(OC=C(Cl)Cl)OC,0.3119199275970459
ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9692287445068359
CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.01579480804502964
ClCc1c2ccccc2c(c2c1cccc2)Cl,0.829825222492218
Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.17219975590705872
Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.022064190357923508
Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.5780441164970398
BrC/C=C\CBr,0.6596784591674805
C[C@H](C(=O)NCc1ccccc1)Br,0.9662758708000183
CCCCCCOC(=O)C=C,0.005046905018389225
COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.003322047647088766
CN(N=O)C[C@H](O)C,0.9783600568771362
O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.016024697571992874
CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.31958499550819397
ClCC=CCCl,0.7902570962905884
ClCC(C(Br)(C)C)Br,0.45503395795822144
CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.5045071840286255
Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.811607837677002
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.003932490944862366
Nc1ccc(c(c1)C(F)(F)F)Cl,0.11929173767566681
C[N+]1=CC=C(CC1)c1ccccc1,0.6870762705802917
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.8348814249038696
CC([N+](=O)[O-])(Cl)Cl,0.4993690550327301
CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.9447689056396484
CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.9020067453384399
[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9950854182243347
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,0.8746468424797058
O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.21921086311340332
N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9197008013725281
c1ccc2c(c1)ccc1c2cccn1,0.8622047305107117
C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.3131374716758728
Nc1ccc(c(c1)O)C,0.6054458618164062
Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9982330203056335
CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.9984532594680786
Nc1cccc2c1-c1ccccc1C2,0.7420064806938171
OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9907204508781433
Clc1ncccc1Cl,0.09093219041824341
COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.059283770620822906
Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8929360508918762
Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.9673370122909546
[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9606989026069641
O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.9941964149475098
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9803673028945923
Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.48458132147789
Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9568977355957031
CCCCN([C@H](OC(=O)C)CCC)N=O,0.9504896402359009
CCCCCCCCC=C,0.06109602376818657
CCOc1snc(n1)C(Cl)(Cl)Cl,0.43459272384643555
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.8227065801620483
Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8823951482772827
COc1cc(N)ccc1N,0.9699551463127136
CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.022976746782660484
CC(=C)C#N,0.15200018882751465
CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.06392629444599152
Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9930915832519531
O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8972955942153931
[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.9679619669914246
CNC(=O)CSP(=O)(OC)OC,0.6532778143882751
CC[C@@H](CN)O,0.14496631920337677
N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.9617083668708801
COc1ccc2c(c1)C1CCCCC1C=C2,0.8583120107650757
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9891098141670227
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.057395089417696
CC(N=C=NC(C)C)C,0.2698272168636322
c1ccc2c(c1)Sc1c(O2)cccc1,0.21546760201454163
CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.1356394737958908
COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,0.010059496387839317
Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9802327156066895
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9890745878219604
Oc1cccc(c1)O,0.25477972626686096
Clc1ccc(c(c1)Cl)Cl,0.09068559110164642
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.3533601760864258
O=Cc1cccc(c1)[N+](=O)[O-],0.7037363052368164
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9552488327026367
O=C([C@]1(C)OC1)Nc1ccccc1,0.8819870948791504
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.8910859823226929
C[C@H](C=O)CC,0.07302653044462204
CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.0016920525813475251
OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.8800816535949707
Brc1ccc(cc1)c1ccccc1,0.1078166514635086
CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.0633624866604805
Fc1cccc2c1c1cccnc1cc2,0.7641247510910034
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9978456497192383
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.0033928542397916317
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.03970576077699661
ClCCNCCCl,0.8630979657173157
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.7914129495620728
CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.27878284454345703
Cc1cccc2c1ccc1c2cccc1,0.8079096078872681
Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.03457334637641907
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.1333729475736618
CCOP(=S)(OCC(C)C)SCCl,0.01691858470439911
OC(=O)c1ccc(cc1)Cl,0.04437767714262009
O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9576823115348816
Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.7065079808235168
OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.898213267326355
[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9955734014511108
COc1cc(ccc1O)CC1CO1,0.9847785234451294
CS(=O)(=O)C,0.22611203789710999
Oc1ccnc2c1cccc2,0.6578162312507629
[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.9474499821662903
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.9964542388916016
Cc1ccc2c(c1)cccc2C,0.6618432402610779
Oc1ccc(cc1O)C(C)(C)C,0.05995676666498184
OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.13406677544116974
OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.023804794996976852
COc1nsc2c1ccc(c2)N,0.9843401908874512
COc1cc(ccc1N)[N+](=O)[O-],0.991329550743103
[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9912668466567993
CC/N=[N+](/CC)\[O-],0.03161381557583809
c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9042161703109741
CCOC(=O)c1ccccc1C(=O)OCC,0.06921134144067764
COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.9440833330154419
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.9926266670227051
CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.06668753921985626
CC(OC[C@@H]1OC1)C,0.9223228693008423
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,0.0017630818765610456
[O-][n+]1c2ccccc2nc2c1cccc2,0.551170825958252
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.19187235832214355
O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.96306312084198
CCNS(=O)(=O)c1ccc(cc1)C,0.41498416662216187
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.9584016799926758
CO[P@](=O)(NC(=O)C)SC,0.03601863980293274
CN[C@@H]([C@H](c1ccccc1)O)C,0.0325629822909832
O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9967554807662964
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.1896974742412567
Cc1ccccc1N.Cl,0.7246508598327637
[O-][N+](=O)c1nccn1C,0.8878068923950195
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.04273805767297745
BrCCSCC(C(=O)OC)NC(=O)C,0.9460331201553345
CC(=O)/C=C/c1ccccc1,0.1545611321926117
O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.6086845397949219
O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.11920835822820663
Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.0023932154290378094
[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.5625542402267456
COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.02027279883623123
CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.0020478572696447372
Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9913007020950317
CC(=C)C(=O)OC[C@H]1CO1,0.9663025736808777
CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7796996235847473
CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.35692495107650757
ClC[C@](CBr)(Br)C,0.2624557912349701
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9858936071395874
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.0038857287727296352
O=C(C(C)C)Nc1snc2c1cccc2,0.5479862093925476
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.27616652846336365
CCCC(=O)Nc1snc2c1cccc2,0.15192165970802307
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.006959183607250452
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9858936071395874
Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7120556831359863
CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.004809117875993252
Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8787542581558228
O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.16589407622814178
COC(=O)C(=C)Cl,0.7581807374954224
ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9819096326828003
Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.010437470860779285
C=C,0.36590591073036194
Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.023121703416109085
[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9144313931465149
OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.9084911346435547
ONc1ccc(c(c1)Cl)Cl,0.6358469724655151
[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.9108712077140808
Nc1ccc2c(c1)s[nH]c2=O,0.9786224365234375
C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.43307217955589294
CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.7077024579048157
COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.9193774461746216
CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9773584604263306
O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.6247420310974121
Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.9577232599258423
OCCN(CCO)CCO,0.3259360194206238
O=NN(c1ccncc1)C,0.6678547859191895
OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.004905420355498791
OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.23349258303642273
CC(c1cc(ccc1N)c1ccccc1)C,0.546628475189209
[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.9475461840629578
COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9969866871833801
Cc1cc(nc(n1)O)C1CC1,0.03544611483812332
OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.022614464163780212
[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.06872418522834778
C=CC#N,0.19705651700496674
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,0.00035997366649098694
[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9899559020996094
Nc1ccc(c(c1)[N+](=O)[O-])C,0.9573591351509094
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.9979766011238098
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.022255662828683853
Fc1ccc2c(c1)sc(n2)C(=O)C,0.5585982799530029
CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.039713770151138306
CCC12OC2O1,0.030107999220490456
O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.38972845673561096
C1COC1=O,0.25086817145347595
CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.13126380741596222
OC(=O)O.N.N,0.05040856450796127
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9928817749023438
COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9936582446098328
Nc1cc(Cl)c(c(c1)Cl)Cl,0.3851071298122406
Cc1nc(N)nc(n1)N,0.1187267079949379
OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.10624055564403534
N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.7054756283760071
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9696723222732544
CN(c1[nH]cnc2-c1ncn2)C,0.3634905219078064
Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6236449480056763
CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.41034460067749023
O=c1oc2cccc3c2c2c1cccc2cc3,0.5556550025939941
OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.8132176399230957
CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.9953612089157104
c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9955539703369141
NNc1nncc2c1cccc2,0.9353731274604797
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9128328561782837
Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9595509767532349
c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.9467981457710266
CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,0.07807444036006927
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,7.489405106753111e-06
NC(=N)c1ccccc1,0.03892504796385765
c1cc2cccc3c2c(c1)CC3,0.8966612815856934
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,0.020413795486092567
CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.9869805574417114
c1ncc[nH]1,0.3370888829231262
CCCCCCCC/C=C/CCCCCCCC(=O)O,0.02122638188302517
Clc1cc(Cl)c(c(c1)Cl)O,0.03690008074045181
OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9229695200920105
OCCN(c1ccc(cc1)C)CCO,0.13294224441051483
c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.9961787462234497
[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.9963420033454895
OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.6730684638023376
CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.1105063185095787
[O-][N+](=O)C1CCCC1,0.08407305181026459
OCc1ccc(cc1[N+](=O)[O-])N,0.786551833152771
CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.9448620676994324
S1CCSCC1,0.475795179605484
CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.00015433643420692533
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]3[N@@](CC2)CC=C1)CC)[C@]1(C[C@H]2C[N@@](CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,0.009315555915236473
COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.007177706807851791
CC(C[C@H](O)C)C,0.12638065218925476
[O-][N+](=O)c1ccccc1C(=O)O,0.5558665990829468
F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.012875626794993877
CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.07047499716281891
ClC/C=C\Cl,0.9574248194694519
OC(C1CO1)CO,0.8722705841064453
Nc1ccc(c(c1)N)O,0.8698030710220337
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.11864940822124481
[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.03125926852226257
O=C1C=CC(=O)c2c1cccc2,0.6247612237930298
c1ccc[nH]1,0.1924687623977661
Oc1cccc(c1)Cl,0.05275024101138115
Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.3400978446006775
NC(=O)CI,0.529873788356781
COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.7068296670913696
Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.18748167157173157
CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.3117796778678894
CNC(=O)Nc1ccccc1,0.08747132867574692
Nc1nc2c(n1C)cc1c(n2)nccc1,0.6823495030403137
N#Cc1ccccc1[N+](=O)[O-],0.6703809499740601
CCNc1cc2oc(=O)cc(c2cc1C)C,0.06771179288625717
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.9899805784225464
Cc1ccc(c(c1)N)O,0.209870383143425
NCC(=O)Nc1ccccc1.Cl,0.6191118955612183
COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.9041741490364075
Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.7918228507041931
Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9081956744194031
Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9139263033866882
CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.0014682975597679615
OC1CC[N+](CC1)(C)C.[Cl-],0.10355539619922638
CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.0046773203648626804
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,0.7760714292526245
O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.9893587827682495
OCCC#N,0.190616637468338
Cc1cccc(c1)[N+](=O)[O-],0.5884910821914673
Cc1cccc(c1)O,0.12393315136432648
COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5941583514213562
CCCCCC[C@@H]1OC1,0.3418605923652649
[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.8662525415420532
CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.005332755856215954
Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.1131816953420639
Nc1cc2ccccc2cc1N,0.8301955461502075
[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.0829910859465599
O=C(C1OC1)NCc1ccccc1,0.9890899658203125
CCCCCN(N=O)CCCCC,0.9397290945053101
Cc1nc2c(nc1C)ccc(c2C)N,0.9717710614204407
OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.005292308051139116
CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.02585126832127571
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.9980411529541016
SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.008627863600850105
[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.6444071531295776
COCCN(c1c(C)cccc1C)C(=O)CCl,0.49669885635375977
Oc1ccc(cc1)c1ccc(cc1C)N,0.613955020904541
C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.11909397691488266
Cc1cc(C)nc(n1)Nc1ccccc1,0.05342009663581848
O[C@@H]1COC(=C(C1=O)O)C,0.8565758466720581
CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.9405325055122375
CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.005912739783525467
CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.3513448238372803
ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9883818626403809
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8131628036499023
[O-][N+](=O)c1cccc(c1Cl)Cl,0.7386196851730347
Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.0064010159112513065
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,0.0650283545255661
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.6639779806137085
CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.1580464392900467
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.018523959442973137
[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.7053120732307434
COP(=S)(OC)OC,0.4618392586708069
O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.002793519524857402
OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.9355308413505554
[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9398479461669922
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.9869181513786316
CC(=C)C1CO1,0.919750988483429
CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.05680075287818909
OC(=O)CCCCC1SCC2C1NC(=O)N2,0.018571842461824417
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,0.018985766917467117
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.08404859155416489
ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.7488080263137817
COC1=C(OC)C(=O)C(=CC1=O)C,0.10230594873428345
C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.8977906107902527
Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.5144973397254944
C=Cc1ccc(cc1)C,0.10719899088144302
CCCCON(C(=O)c1ccccc1)OC(=O)C,0.9797390103340149
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.9925476312637329
O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.009318070486187935
SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.008627863600850105
CSc1ccc(cc1)Cl,0.04886481910943985
COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.19607284665107727
C/N=N/O.[K+],0.8872494697570801
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.013197203166782856
O=C(n1cncc1)n1cncc1,0.2119104564189911
OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.032441191375255585
CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.007093604654073715
Cc1ccc(cc1)Cc1ccccc1,0.20399367809295654
Cc1ncc2c(n1)CCC2,0.2235698252916336
CC(=O)OCN(N=O)CCCl,0.9924308657646179
O=Nc1nccn1C,0.921747088432312
OC[C@@H]1SCCN1N=O,0.3979392945766449
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.8774842023849487
CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.0014462809776887298
Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.912983775138855
O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.0328088104724884
ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.9599800109863281
CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.033961404114961624
C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.21378035843372345
CC(=O)Nc1ccc(cc1)c1ccccc1,0.621783435344696
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)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,0.6519770622253418
BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.1557181179523468
O=C1C=C(O)c2c(C1=O)cccc2,0.6048949956893921
C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.2509329915046692
O=C(c1ccccc1N)OC1CCCCC1,0.07449281960725784
O=Cc1c2ccccc2cc2c1cccc2,0.5119128227233887
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,0.5118995308876038
CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9179630279541016
CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.7883321046829224
CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.2451259344816208
CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8218771815299988
CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.8168908953666687
COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.1050693541765213
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.9352288246154785
Nc1cccc2-c3c(Cc12)cccc3,0.9204444885253906
Cc1cc2-c3ccccc3Cc2cc1C,0.7728257775306702
CCOC(=O)CNC(=O)C(Br)(C)C,0.016809189692139626
OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.10863561928272247
Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.5168184041976929
[O-][n+]1cnc2c(c1N)[nH]cn2,0.76616370677948
Nc1ccc(cc1)Cc1ccc(cc1)N,0.6954860687255859
CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.9323631525039673
COc1cc(N)ccc1C,0.7494596838951111
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.7847030758857727
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.03672178089618683
CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.0010963431559503078
CN(c1nc(C)c(c(n1)O)C)C,0.04789448529481888
ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.8111703991889954
N#C/C=C\C#N,0.1169353574514389
c1scc(n1)c1nc2c([nH]1)cccc2,0.174783855676651
BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9743322134017944
CC(CCON=O)C,0.9387415051460266
CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.03687196969985962
CCCC(=C)C=O,0.5055364370346069
[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.9973897933959961
OC1=C(C)CCC1=O,0.24100616574287415
C/C=C/CC#N,0.09046714007854462
CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.853476345539093
Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9318557977676392
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,0.02168712206184864
CCC(=C)C=O,0.418771892786026
Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.003788489382714033
Nc1cccc2c1snc2Cl,0.9678460359573364
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.43828439712524414
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5250003337860107
Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.02578446827828884
CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.007771067321300507
CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,0.0019163715187460184
OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.9175779223442078
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.014764909632503986
O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.017078524455428123
Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.843084454536438
CC1=CC(=O)CC(C1)(C)C,0.06518848240375519
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)ccc2,0.9556064605712891
N#Cc1ccccc1,0.18629860877990723
C=CC(=O)OCCCCCCOC(=O)C=C,0.017193710431456566
NCCNC(=O)c1ccc(cn1)Cl,0.06846475601196289
O=C1c2ccccc2Cc2c1cccc2,0.21485546231269836
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.0018832121277227998
O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9394451379776001
CC(Oc1ccc(cc1)Nc1ccccc1)C,0.3074643611907959
O=Nc1c(CC)cccc1CC,0.2961363196372986
FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.8715523481369019
Nc1ccc(cc1)F,0.7170568108558655
CC(=O)Nc1cccc(c1)N,0.8565025329589844
OCCCCCCC/C=C/C=C/C,0.427006334066391
O=Nc1cccc(c1)c1ccccc1,0.9760513305664062
CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.6378918290138245
COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.9449040293693542
NCCNCCNCCNCCNCCN,0.43662452697753906
COP(=O)(N1CCOCC1)OC,0.3883029818534851
O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.010983426123857498
NC(C(=O)O)CCCCNCC(C(=O)O)N,0.07047081738710403
Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.9791505932807922
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9923475980758667
NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.04787714406847954
CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.005379190668463707
C/C=C\c1cc(OC)c(cc1OC)OC,0.38634419441223145
OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.7987732291221619
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.863408088684082
[O-][n+]1c[nH]c2-c(c1N)ncn2,0.76616370677948
Nc1ccc(cc1)N.Cl.Cl,0.7062098383903503
CCCCCCCCCCO,0.03774069622159004
CC(=O)/C=C\c1ccccc1,0.2080368548631668
OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.010295959189534187
CCSCCSP(=S)(OC)OC,0.2402222603559494
C=CS(=O)(=O)C,0.35007065534591675
[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.7184911966323853
ONc1c(C)cccc1C,0.5418625473976135
CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.0028887444641441107
CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.08678443729877472
OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,0.11810044944286346
ClCCN(c1cnc(nc1O)O)CCCl,0.2850630283355713
[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9567015767097473
COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.6746824979782104
CNC(=O)ON,0.8702024221420288
CC(=O)OCc1ccccc1[N+](=O)[O-],0.6055914163589478
CC(CC1NC(=O)CNC1=O)C,0.03284541890025139
Oc1ccc2c(c1)cccc2O,0.43944406509399414
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.02470354177057743
ClCCC(=O)N(c1snc2c1cccc2)CC,0.4190610945224762
CCNc1nc(NCC)nc(n1)Cl,0.017963211983442307
S=C(Nc1ccccc1)Nc1ccccc1,0.37956273555755615
Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.018108244985342026
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.06110570952296257
O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.9674245715141296
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.994645893573761
O=Nc1c(O)ccc2c1cccc2,0.5226753354072571
[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.8036397099494934
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.20550575852394104
OC(=O)O,0.089420385658741
Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.10368870198726654
Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.0030758902430534363
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.9846014976501465
NC[C@H](N)C,0.16540703177452087
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.14587117731571198
OCCc1ccccc1,0.3607192635536194
COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.289196252822876
O=c1[nH][nH]c(=O)c2c1cccc2,0.11127636581659317
CCNCC,0.21602407097816467
OCc1ccc(cc1)O,0.08648747205734253
Clc1cccc2c1cc1ccccc1c2,0.8161329030990601
COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.3190477192401886
Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.012543253600597382
OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.5183618068695068
Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.7873047590255737
Cc1ccc(cc1NCC)O,0.11907283216714859
BrCC(c1ccccc1)Br,0.8287835121154785
c1ccc2c(c1)[nH]nn2,0.08980663120746613
N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.22048600018024445
[O-][N+](=O)CC,0.5484867095947266
CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.009776690043509007
N[C@H](C(=O)NCC(=O)O)CS,0.8272731900215149
Nc1ccc(c(c1)N)N=Nc1ccccc1,0.989087700843811
Nc1ccc(cc1)Br,0.36799532175064087
ONc1ncnc2c1ncn2C,0.9942635297775269
NC(C(=O)O)CS/C=C/Cl,0.15028369426727295
Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.025703877210617065
CNP(=O)(N(C)C)N(C)C,0.05388887599110603
[O-][N+](=O)NC(=N)NC,0.15620216727256775
OC(=O)CC[C@@H](C(=O)O)N.[K+],0.046885740011930466
O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9809356927871704
O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.28605860471725464
OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.023519396781921387
Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7469751238822937
CCc1ccc(nc1)C,0.08464463800191879
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,0.04898868501186371
NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.08884124457836151
COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.03665401414036751
CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.08243512362241745
Cc1cncc(n1)C,0.08545184135437012
O=CN(c1cccc(c1)Cl)O,0.28177255392074585
N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0.5988951325416565
CCOC(C(=O)C(O)O)C,0.3998946249485016
Cc1ccc(c2c1cccc2)C,0.5113340020179749
COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.9286791086196899
c1ccc(cc1)/C=C/c1ccccc1,0.6507644653320312
[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9939982295036316
Cc1ccc(cc1)Br,0.07798174768686295
[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],0.03603813052177429
Nc1ccc2c(c1)cccc2,0.8798044919967651
CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.01450900174677372
CC1(OC1)c1ccc(cc1)Cl,0.7291356325149536
O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.9862838983535767
COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9969866871833801
O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,0.8661743402481079
ClC[C@H](O[C@@H](CCl)C)C,0.8330527544021606
C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.03980120271444321
CC(CCOC(=O)CC(C)C)C,0.06612960249185562
c1cnc2c(c1)CCC1C2O1,0.1823795735836029
ClCC=C,0.8227370381355286
COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.9984076619148254
O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.0037039052695035934
ClC(=C)C#N,0.31200942397117615
C/C(=C/COC(=O)C)/CCC=C(C)C,0.006691516377031803
ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.12976108491420746
CC(=C)C(Cl)C,0.25193873047828674
Oc1nc2c(o1)cccc2,0.1653473824262619
CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.48553353548049927
Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.02101304568350315
CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.2256922423839569
ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.1284066140651703
[O-][N+](=O)c1ccccc1C,0.6527019739151001
[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.9606316685676575
NCCCNCCCCN(N(N=O)O)CCCN,0.7658237814903259
CSc1ccc(cc1C)OP(=S)(OC)OC,0.031352460384368896
Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.991898238658905
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.9616489410400391
OC(=O)CCCC[C@H]1SSCC1,0.024963676929473877
NS(=O)(=O)c1ncn[nH]1,0.039528559893369675
COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.12318664789199829
CCOCC=O,0.09098956733942032
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.030465900897979736
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,0.40070876479148865
OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.01215954776853323
C[C@H](C(=O)NCC(=O)O)S,0.3321012556552887
COc1nncc2c1nccc2,0.14376790821552277
O1CCOCCOCCOCCOCCOCC1,0.3666626811027527
COC(=O)C(CSCCCl)N,0.9506291151046753
Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.021328115835785866
Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.9715072512626648
CCCCOC(=O)/C=C\C(=O)OCCCC,0.02571965754032135
CCCCCCCCCCCCCCCCCCCC,0.06762891262769699
CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.9773176908493042
OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.8789388537406921
ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7606711387634277
ONc1[nH]cnc2-c1ncn2,0.9664009213447571
CNP(=S)(N1CC1)N1CC1,0.21542009711265564
CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.2047261744737625
Nc1scc(n1)c1ccccc1,0.6043234467506409
OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,0.9566609263420105
[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9880901575088501
CN.Cl,0.12825754284858704
OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,0.0003286170249339193
OCCI,0.40683889389038086
CCNc1snc2c1cccc2,0.028951004147529602
CCCCCCCCCCCCCC=C,0.06637269258499146
Oc1cc(O)c2c(c1)oc(=O)cc2C,0.28927135467529297
COc1ccc(cc1)C=O,0.223636195063591
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,0.9624749422073364
N#Cc1cccc(c1)[N+](=O)[O-],0.7203061580657959
CC/C=C\C#N,0.12197120487689972
Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.7422352433204651
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)c1ccccc1,0.00036943418672308326
OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.8965861201286316
[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9659929275512695
Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.21102149784564972
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9872924089431763
CCc1ccnc2c1cccc2,0.15809623897075653
OC/C=C/c1ccccc1,0.6644308567047119
CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.0025360840372741222
Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.8541944622993469
ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.03341038525104523
O=Nc1ccc(cc1)O,0.8193961381912231
O=CC(=O)C,0.5364435911178589
Clc1ccccc1S(=O)(=O)N,0.009684255346655846
O=NN(Cc1cccc(c1)C)C,0.7273125648498535
CSCCC=O,0.2530801594257355
COCC=O,0.1086234450340271
Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9889793395996094
Clc1nncc2c1cccc2,0.2902069687843323
COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.7076760530471802
OCCNc1ccc(c(c1)O)C,0.5331522226333618
CC(c1ccccc1)C,0.10493843257427216
BrCC(=O)Nc1ccc(cc1)C,0.1589578092098236
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.9306162595748901
O=Cc1ccc(o1)[N+](=O)[O-],0.9986183047294617
ONc1ncnc2c1ncn2Cc1ccccc1,0.9956199526786804
C1CCC2(CC1)CO2,0.2788987159729004
Fc1ccc2c(c1F)nccc2,0.7769216299057007
COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.3041260242462158
CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.61217200756073
O=C(Nc1ccc(cc1)C)CC(=O)C,0.031054019927978516
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.0648721307516098
ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9147138595581055
Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9497241973876953
O=C1c2ccccc2C(=O)c2c1cccc2,0.5613111257553101
CCCCOC(=O)c1ccccc1N,0.028023410588502884
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.005502822808921337
Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.565673828125
OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,0.005265182349830866
CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.7907348871231079
COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.9797465205192566
ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.026225294917821884
OCCCCl,0.31181925535202026
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.02848660945892334
Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3324507772922516
OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,0.06163240596652031
Oc1ccc(c(c1Cl)Cl)Cl,0.03554009273648262
COc1cc(C=O)c(cc1OC)OC,0.2566430866718292
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,0.0007150585879571736
ClC(=O)c1ccccc1F,0.9480190277099609
Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.30170950293540955
COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9924825429916382
BrCC(=O)c1ccc(cc1)Br,0.11252547800540924
CNc1ccc2c(c1C)ncc(n2)C,0.8955839276313782
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.027215778827667236
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,0.9890834093093872
COc1nsc2c1cccc2OCC1CO1,0.9956790804862976
ONS(=O)(=O)c1cccc2c1nccc2,0.19977152347564697
Clc1cccc(n1)Cl,0.24078574776649475
c1ccc2c(-c3ccccc3C3C2O3)c1,0.8584855198860168
CSCCC(C(=O)O)N,0.09407017379999161
CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.2979976534843445
[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9904034733772278
COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9606863260269165
Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.6935663223266602
C[C@H]1CCOS(=O)(=O)O1,0.9081791043281555
C[C@H]([C@@H](CCl)Br)Br,0.923514187335968
OC1CC(C)(C)N(C(C1)(C)C)O,0.38387754559516907
ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.39579468965530396
Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.9945851564407349
C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8711441159248352
CNC(=O)Oc1ccccc1,0.6625562906265259
CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9908466339111328
CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.010227316990494728
OC[C@@H](CI)O,0.31532007455825806
Cc1cccc2c1ccc1c2ccc2c1cccc2,0.756462037563324
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.9515608549118042
Nc1ccc(cc1)Sc1ccc(cc1)N,0.8591264486312866
Cc1cnccn1,0.06394695490598679
O=C(C(Br)(C)C)Nc1ccccc1,0.0830940455198288
OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.02379334717988968
[N-]=[N+]=CC(=O)NCC(=O)NN,0.9712660908699036
CC(=O)N[C@H](C(=O)O)CSCCCl,0.9532694816589355
Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.17585712671279907
O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.9884181022644043
OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8711989521980286
Nc1ccc(cc1)Cl.Cl,0.5088163614273071
O=Nc1ccc(cc1)Sc1ccccc1,0.951921820640564
CC1(C)C2CCC3(C1C2)CO3,0.04306167736649513
COC(=O)C(NC(=O)C)CSCC(Br)C,0.9767107963562012
CC(C=O)CC,0.059753406792879105
NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.026529058814048767
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.004843914415687323
O=c1oc2c([nH]1)cccc2,0.21068811416625977
O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.9608327150344849
Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7525956630706787
CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.9466644525527954
Clc1cccc(c1)C(F)(F)F,0.038207437843084335
[Cu].[Cu].O,0.2826414406299591
Nc1nc2c(n1C)ccc1c2nccc1,0.963761031627655
COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.6123256087303162
c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9907960891723633
CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9929645657539368
OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.3106846511363983
OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.010115435346961021
BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9815253019332886
Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.9332867860794067
C/C=N/N(C=O)C,0.7885369062423706
Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.7712621688842773
CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.0035073861945420504
Cc1ccccc1S(=O)(=O)N,0.12474067509174347
Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.0036601468455046415
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9570516347885132
Nc1ccc(cc1)Oc1ccccc1,0.8476278185844421
CC(=O)OCC=C,0.0797443836927414
CCCC[C@H](COC(=O)C=C)CC,0.026826420798897743
COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.03275839239358902
CCCCCCCCCCCCCCCC[C@H]1CO1,0.3418605923652649
OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.011882682330906391
CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.1403619945049286
ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.1284066140651703
COC(=O)c1ccco1,0.1340896636247635
Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9192438125610352
Clc1c2ccccc2cc2c1cccc2,0.8454383611679077
O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.8152221441268921
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.05372864753007889
Nc1n[nH]cn1,0.6443933844566345
OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.8182176351547241
C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.03548547998070717
O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.7855240106582642
CNC(=O)N(c1ccccc1)c1ccccc1,0.40345531702041626
OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.12313543260097504
CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.7759045958518982
N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.9676271677017212
OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,0.01526795607060194
Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.9121198654174805
Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.0007853037677705288
Nc1cccc2c1nc1cccc(c1n2)N,0.7745798230171204
COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4750295579433441
Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9580210447311401
C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.0022606521379202604
O=NN(c1ccccn1)C,0.18443520367145538
CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.9666302800178528
COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.1263132244348526
CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.00025223963893949986
C/C=C(/C=O)\Cl,0.9395114183425903
OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.8091965913772583
Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.7438219785690308
OCCCN=N,0.7212210893630981
CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.9031757116317749
O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.0021192673593759537
Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.11338391155004501
COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.9274638295173645
c1ccc2c(c1)[nH]cc2,0.5853988528251648
N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.7831236124038696
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,0.16656602919101715
Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.09512098878622055
COP(=O)(OC)OC,0.1644395887851715
Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8523237109184265
O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.9244238138198853
c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.6989799737930298
Clc1cccc(c1)[N+](=O)[O-],0.7971646189689636
O=C(Nc1ccccc1C)CC(=O)C,0.0166325643658638
OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6793963313102722
O=NN(Cc1cccc(c1)C(F)(F)F)C,0.36266833543777466
N#C/C(=C\c1ccco1)/C(=O)OC,0.06745263189077377
Nc1ccc2c(c1)cc1c(n2)cccc1,0.9715057611465454
Clc1nnc(c2c1cccc2)Cl,0.22096896171569824
CCOc1ccc(cc1N)NC(=O)C,0.8865985870361328
CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9727070927619934
NCCN,0.4962922930717468
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.008342856541275978
OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.10463528335094452
CCCCCc1cc(O)cc(c1)O,0.03121943771839142
OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.3895803987979889
CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9610946774482727
NC(=O)CN1C[C@@H](CC1=O)O,0.12560592591762543
OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.01491276454180479
Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.10134676843881607
c1cnc2c(c1)ccc1c2cccn1,0.7799571752548218
Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.08961325138807297
CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.005060078576207161
O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.6725231409072876
O=NN(C(=O)O/N=C(\SC)/C)C,0.5932430028915405
Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.5759760141372681
Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.009229169227182865
CCNc1cccc(c1)O,0.21529927849769592
ClC[C@H]1CO1,0.9715404510498047
c1ccc2c(c1)c(CCC1CO1)ccc2,0.9567137956619263
O=NN1CCC=CC1,0.9291245341300964
O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.888545036315918
NC(C(=O)O)CSC(C(Cl)F)(F)F,0.20654955506324768
CCc1ccc(cc1)C,0.14001259207725525
O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.4365053176879883
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.8520614504814148
CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.32301682233810425
Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5843394994735718
O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.6864132285118103
ClCC(CCl)(CCl)CCl,0.5153403878211975
[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.9253609776496887
COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.19152721762657166
OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.028947774320840836
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9884351491928101
CCCCCCCCCCCCC=C,0.06637269258499146
c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8280171155929565
CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.7054786682128906
CCCON=O,0.9401507377624512
[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9784293174743652
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9353071451187134
CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.7880679368972778
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.3669506907463074
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,0.0036720545031130314
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8501156568527222
O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.04469452425837517
N[C@H](C(=O)O)CSCCCl,0.9312330484390259
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,0.001010683597996831
SCCc1cnccn1,0.20121526718139648
NCCCCCCN,0.1126316636800766
OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.03726545721292496
CC(=O)N,0.41444262862205505
Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.02598273754119873
Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9989253878593445
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,0.987712025642395
ClC(C1=C(Cl)C(=O)OC1O)Br,0.9911597967147827
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.9803711175918579
CN(c1ccc(cc1)N)C,0.8274739980697632
OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.23406274616718292
CCCCCCCCCCCCCO,0.03774069622159004
OCc1ccc(cc1)OC,0.27699050307273865
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(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)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,0.766454815864563
COc1ccc(c(c1)C)N,0.8873566389083862
CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.20858386158943176
BrCC(Br)(Br)Br,0.5778292417526245
Nc1cccc(c1)C(F)(F)F,0.12689395248889923
NC(C(=O)O)CN=N#N,0.9765440225601196
Nc1ccc(cc1)Oc1ccc(cc1)N,0.873782753944397
NC(=O)c1ccccc1C(=O)N,0.2258109152317047
O=NN(c1cccnc1)C,0.8298345804214478
[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9664987325668335
O[C@H]1C=CC=C[C@@H]1O,0.6450802683830261
Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.11648337543010712
OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.048097915947437286
O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.9455510973930359
CC(=[N+]([O-])[O-])C,0.6387382745742798
Nc1ccc2c(c1)c(Cl)ns2,0.8959062695503235
Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.12791548669338226
c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9874326586723328
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.07111913710832596
Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.9580874443054199
CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.25136598944664
BrCCC(Br)Br,0.769183874130249
NCCNc1cccc2c1cccc2,0.9679723978042603
CCCCOC(=O)CCC,0.018561266362667084
Cc1ccc2c(c1)cccn2,0.618346095085144
c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6843727827072144
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,0.02452598325908184
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+],0.9950484037399292
CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.5814228653907776
CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.14077094197273254
Oc1cccc2c1OC(C2)(C)C,0.03555548936128616
O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.5870020985603333
O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.79899662733078
COc1cc(/C=C/C(=O)O)ccc1O,0.09071977436542511
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,0.000515259220264852
Nc1[nH]ccc2-c1c1ccccc1n2,0.5418021082878113
ClCl,0.3489888310432434
C1CCCCC[C@H]2[C@H](CCCC1)O2,0.13262127339839935
Sc1ncc(c(n1)O)C,0.03352592885494232
CCOC(=O)CC(O)C,0.11593484878540039
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,0.9758516550064087
ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.9768215417861938
[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.9934536814689636
NCC(C)C,0.2703193724155426
C=C[C@H]1CCC=CC1,0.16168026626110077
[O-][n+]1cccc2c1C=CC1C2O1,0.2805839478969574
[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9600231051445007
CCN(c1cccc(c1)O)CC,0.19783742725849152
Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.900141716003418
c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.9859710931777954
CCOP(=O)(N(C)C)C#N,0.03265751525759697
COc1ccc2c(c1)[nH]c1c2CC[N@@]2[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,0.01525417435914278
C/C(=C/C)/C#N,0.04108370840549469
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,0.11186043918132782
CCCCC/C=C\C=C/C=O,0.7695170640945435
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.002336535369977355
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.006943835876882076
COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9511933326721191
CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.027640318498015404
CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.3185485005378723
OCCn1c(C)ncc1[N+](=O)[O-],0.9274557828903198
OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.9404424428939819
Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9200159311294556
CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.05645442008972168
OCc1ccc(cc1)[N+](=O)[O-],0.6672391295433044
COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.21628180146217346
CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6988652944564819
CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.0058069899678230286
[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9972525835037231
CN=C=S,0.35685718059539795
[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.8248154520988464
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,0.4264965057373047
CCC(C)C,0.07388261705636978
NNc1ccccc1.Cl,0.6490808725357056
O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.9498546719551086
OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.5702927112579346
Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.97914057970047
NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.995588481426239
O1C2C1C1N=NC2C2C1O2,0.5823693871498108
O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.9396953582763672
CCOC(=O)C(CS)N,0.6283509135246277
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9159315824508667
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,0.9913848042488098
OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.7961838841438293
O1CCN(CC1)SSN1CCOCC1,0.14004309475421906
O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9852476119995117
OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.024511199444532394
NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.007059100084006786
Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.039922598749399185
CCOC(=O)CNC(=O)C(Br)C,0.8099261522293091
CNc1ccc2c(c1N)nc(cn2)C,0.7272485494613647
CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.8777350187301636
C[C@H](CCl)O,0.5026772618293762
C[n+]1c2ccccc2cc2c1cccc2N,0.987347424030304
CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.013454670086503029
CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.8842470049858093
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9992963671684265
Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8382471203804016
OCC(Cc1ccccc1)CN=N#N,0.8561792373657227
O=C1c2ccccc2-c2c1ccc1c2cccc1,0.6206509470939636
CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.9223728179931641
ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.9169121980667114
S=P(N1CC1)(N1CC1)N1CC1,0.34849467873573303
Nc1nc(nc(n1)O)NC(C)(C)C,0.004280318506062031
CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.2517845034599304
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.0014538633404299617
OCCN(CC(=O)O)N=O,0.6510977149009705
CCCBr,0.6965376138687134
C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.9986250996589661
NNc1nncc2c1ccnc2,0.8097096681594849
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.0020268128719180822
C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.08157306164503098
COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.16311395168304443
COC(=O)c1ccccc1,0.11159167438745499
COC(=O)CC(=O)C,0.022422824054956436
Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8190110325813293
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.0023818586487323046
Br[C@H](CBr)COC(=O)C=C,0.8500558733940125
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.44007164239883423
Fc1cccc(n1)F,0.36097270250320435
[O-][N+](=O)c1ccccc1C(=O)Cl,0.9890836477279663
CCCCN(CCCC)N,0.181983083486557
O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.09450538456439972
CC(c1ccc(nc1)C(F)(F)F)O,0.019916240125894547
C=CC(=O)OC[C@H]1CO1,0.9497572183609009
Nc1ccc2c(n1)n1ccccc1n2,0.9507757425308228
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.9829753041267395
ONc1ccc(c(c1)C)C,0.8012876510620117
BrC(=C)C(=O)C,0.4297856390476227
Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.32584428787231445
Nc1ccccc1C(F)(F)F,0.3528895974159241
NNc1ccc(cc1)[N+](=O)[O-],0.929820716381073
CNCCO,0.1307060569524765
NCCCCC(C(=O)O)N,0.06993822753429413
C=CC(=C)C,0.3665963113307953
c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9782916307449341
OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9283134341239929
O=c1ccc2c(o1)c1ccoc1cc2,0.24211804568767548
ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8421953320503235
NCCc1cc(O)c(cc1O)O,0.3318682312965393
Nc1ccc(c(c1)Cl)Cl,0.6499140858650208
OC(=O)CCC(=O)O,0.11869531869888306
Cc1cccc(c1)N.Cl,0.39819779992103577
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9715989828109741
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.40159496665000916
CC([N+](=O)[O-])C,0.158658966422081
CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.007518609520047903
OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.7206743359565735
NN(c1ccccc1)c1ccccc1,0.8609016537666321
Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.029309242963790894
CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.019523877650499344
OS(=O)(=O)c1cccc2c1nccc2,0.19037990272045135
CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.2123963087797165
OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9098392724990845
CC(COC(=O)c1ccccc1N)C,0.09180532395839691
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,0.19590041041374207
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,0.0026406426914036274
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.015758778899908066
Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.7215853929519653
OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.9283739328384399
CN(C(=O)NC)N=O,0.9452148675918579
OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.028815021738409996
O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.6812030673027039
CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.8051374554634094
Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9996110200881958
Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9969006776809692
BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8337521553039551
CON,0.3502711355686188
C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.9328551292419434
Oc1ccccc1c1ccccc1O,0.47043004631996155
Nc1nc(N)c2c(n1)nc[nH]2,0.16499540209770203
Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9735293388366699
Oc1ncc(c(n1)O)F,0.024410821497440338
[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9797168970108032
CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,9.622224752092734e-05
Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.48942476511001587
O=NN1CCCCCCCCCCCC1,0.9798466563224792
O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.024862322956323624
CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.8414381742477417
OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.03420740365982056
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,0.011099716648459435
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.013485318049788475
OC1C2OC2c2c(C1O)c1cccnc1cc2,0.47963470220565796
Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9056841135025024
C/C(=C\C)/CCl,0.6017028093338013
C[Si](N=N#N)(C)C,0.6687088012695312
CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.012855634093284607
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.020775455981492996
CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.6898062229156494
OC(=O)Cc1ccccc1[N+](=O)[O-],0.24587056040763855
O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.05008246749639511
Cc1ccc2c(c1)ccc1c2cccc1,0.6935663223266602
O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.9455510973930359
C[n+]1c2ccccc2cc2c1cccc2,0.9236318469047546
CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.34742021560668945
CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.8340330123901367
NC(=O)/N=N/C(=O)N,0.4494136869907379
C=CCOC[C@H]1CO1,0.7110191583633423
c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9724851846694946
OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.001081370166502893
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,0.007005702704191208
ClN1C(=O)N(C(C1=O)(C)C)Cl,0.3694932460784912
O=NN(C(=O)Oc1cccc2c1cccc2)C,0.994194507598877
ClOCl.[Cu+2],0.3120468258857727
OCC(CO)O,0.25900405645370483
O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.17277643084526062
O=CN(c1ccc(c(c1)Cl)Cl)O,0.3360733091831207
OCC=C,0.46340879797935486
CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.28022629022598267
CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8890569806098938
COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.44333282113075256
CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.5322167277336121
O=CCC=O,0.3213556408882141
[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.04216398671269417
Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.011404653079807758
Nc1sc2c(n1)c(Cl)ccc2,0.4669498801231384
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.983172595500946
C[C@@]1(CO1)C=C,0.38886117935180664
OC(=O)Cc1ccc(cc1)N,0.23314101994037628
CCN(C(=O)N(C)C)N=O,0.9654925465583801
[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.2774251401424408
Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8304979205131531
CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.0018474019598215818
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,0.0037733535282313824
C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.02255532518029213
Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.008168447762727737
COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.8941494822502136
C/C=C\C=C/C=O,0.8063277006149292
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.25100037455558777
c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.07330833375453949
C[C@]12CC[C@H](CC1)C(O2)(C)C,0.2814263105392456
OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.028842907398939133
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9803025126457214
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7749508023262024
CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.03311926871538162
OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.9742118120193481
OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.04169122129678726
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,0.04434378817677498
C=O,0.36884111166000366
CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.873791515827179
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.03189057111740112
CCN/N=N/CC,0.9417330026626587
[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9932359457015991
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9761805534362793
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.008786501362919807
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8931019902229309
O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9835187792778015
C=CC1CC2CC1C=C2,0.027823343873023987
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,0.0033950458746403456
c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.6584783792495728
CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.16082344949245453
FC(c1ccccc1)(F)F,0.07900776714086533
OC(CO)CN=N#N,0.9829723238945007
BrC(C(=O)O)Br,0.29468590021133423
Br/C=C/Br,0.397601842880249
COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.06425429880619049
CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.059023045003414154
CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.1165069192647934
O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.11600331962108612
Cc1ccc(cc1)N(C)C,0.46814948320388794
Cn1nc(c(c1)C(=O)O)C(F)F,0.01268498320132494
Nc1cccc2c1nc1ccccc1n2,0.7638854384422302
Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.983241081237793
COc1cc(OC)[nH]c(=O)n1,0.050912559032440186
CCCC[C@H](COS(=O)(=O)O)CC,0.20275703072547913
CCCCCCCC/C=C\CCCCCCCCN,0.032074008136987686
OS(=O)(=O)c1ccccc1,0.05214158818125725
[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.31394845247268677
CCC/C=C(\C=O)/CC,0.14336737990379333
COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.14276012778282166
C[C@H](CBr)O,0.7492464184761047
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.00039915493107400835
OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.015514415688812733
O=NN1CCN(CC1)N=O,0.9593607187271118
O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.3806202709674835
[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9532591700553894
O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9827437400817871
[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.6220771074295044
O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9560282826423645
FS(=O)(=O)F,0.3614191710948944
C1OC(=O)C=C1,0.1559200882911682
O=C1C=CC(=O)C(=C1)C,0.10191979259252548
ONc1ccc(cc1)Sc1ccccc1,0.9149223566055298
C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.9759548902511597
COc1ccc(cc1)C(C=C)O,0.1244078055024147
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,0.009414279833436012
CC(=O)Nc1cccc2c1ncc(c2)F,0.17083555459976196
CC(OC(=O)Cc1ccccc1)C,0.09905131161212921
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9834775924682617
COCCOC,0.4305320680141449
[O-][N+](=O)c1ccc(c(c1)C)C,0.6832390427589417
Oc1ccc(nn1)O,0.11170251667499542
ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.5659329295158386
Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.9848357439041138
O=C1C=C(N)c2c(C1=O)cccc2,0.5386934876441956
COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.5804530382156372
CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.759915292263031
O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.3657425045967102
Nc1ccc2c(c1)nc(c(n2)C)C,0.8648405075073242
Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.6970463991165161
OC(=O)c1cccc(c1C)[N+](=O)[O-],0.23120716214179993
O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.8886895179748535
CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.002117536263540387
Clc1ccc(c(c1)Cc1ccccc1)O,0.1222722977399826
Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.16678747534751892
ClCc1ccccc1CCl,0.30138760805130005
NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.017591442912817
O=C(C(Br)C)NC(C)(C)C,0.9159201383590698
COP1(=S)OCc2c(O1)cccc2,0.8470250964164734
CCOC(=O)CC(=O)CCl,0.11185778677463531
C=CC(=O)OCCCCCOC(=O)C=C,0.02396768145263195
O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9029685854911804
C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.09796921908855438
CNCCS(=O)(=O)O,0.0629073977470398
Nc1ccc(cc1)S(=O)(=O)N,0.18831868469715118
C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.9024925231933594
[O-]S(=O)(=O)[O-].[Fe+2],0.31211966276168823
O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.879270076751709
CCOC(=O)CBr,0.3126789629459381
ClCCCCN(COC(=O)C)N=O,0.9967634081840515
Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.959044337272644
[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9848440885543823
[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8936944007873535
O=C1C=CC(=N#N)C=C1,0.5417575240135193
OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.9476320147514343
O=C(C(=O)O)C(=O)O,0.17938102781772614
Cc1cnc(c(n1)C)C,0.41522860527038574
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.0016826596111059189
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,0.990086555480957
CC/C=C/1\OC(=O)c2c1cccc2,0.25585106015205383
Oc1cc(O)cc(c1)O,0.25357070565223694
O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.5863375663757324
Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.013884293846786022
O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.10497291386127472
CC(Cl)C,0.6713790893554688
CCCCCCCCCCCCCCCCCCN,0.03820401430130005
N#CC(Cl)(Cl)Cl,0.1935216188430786
[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.9493207931518555
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.9236809611320496
C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.016969794407486916
[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.15457430481910706
CC1CCc2c(C1)occ2C,0.1871187835931778
O=C1CCC(=O)O1,0.06475307792425156
OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.03201264515519142
Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.5981448888778687
O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9719316363334656
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.028463277965784073
O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.01960335299372673
CCOP(=O)(SC(CC)C)SC(CC)C,0.0333080030977726
N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.1128159910440445
Clc1ccc(c(c1)C(=O)O)O,0.09979759156703949
CCCCOCCOCCSC#N,0.01748088374733925
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.005562583915889263
NC1CCCCC1,0.05499197915196419
Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9920151829719543
OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.35890260338783264
CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.015119602903723717
CCCCCCCCCCCl,0.11394353955984116
O=c1nc[nH]c2c1cccc2,0.09965439140796661
Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.8868594169616699
ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9942509531974792
c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9988611340522766
O1CC1COc1ccc(cc1)Cc1ccccc1,0.9474924802780151
OC(=O)c1sccc1S(=O)(=O)N,0.008301342837512493
Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9764860272407532
NC(=O)Nc1ccc(cc1)Br,0.08582870662212372
O=Cc1ccc(c(c1)Cl)Cl,0.0680273026227951
Cc1ccc(c(c1)[N+](=O)[O-])N,0.8158053159713745
OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.046307407319545746
CNc1ccc2c(c1N)cccn2,0.9124054908752441
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9966896176338196
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.213709756731987
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.003249283181503415
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.8070648908615112
ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8778554797172546
COC(=O)C1=C(CC)C(OC1=O)C,0.33438539505004883
Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8791667819023132
c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.32194551825523376
COC(=O)c1ccc(cc1)C(=O)OC,0.13070663809776306
OC(=O)CCCc1c[nH]c2c1cccc2,0.14851774275302887
CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.006565714720636606
Cc1c(N)ccc(c1C)N,0.734587550163269
Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.9783707857131958
CCN1CCN=N1,0.9270660281181335
Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.05447959154844284
CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.9894292950630188
CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.9116981625556946
COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6726657748222351
CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9795417785644531
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,0.8708930015563965
O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.23210158944129944
COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9722530245780945
[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.996285080909729
NCCS(=O)(=O)O,0.08577023446559906
Nc1ccc2c(c1)c1ccccc1cc2,0.962419331073761
COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.6961754560470581
CCOc1cccc(c1)N,0.6057825684547424
O=NN(c1ccccc1)C,0.3515240550041199
OOC(C)(C)C,0.8875304460525513
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,0.9810266494750977
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.5125478506088257
COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7155886292457581
O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.052917081862688065
CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.8099386096000671
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,0.0016031938139349222
CCCCCCCCCCCC(=O)NCCO,0.04338030889630318
O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,0.8426505923271179
Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5733022689819336
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,0.6300390362739563
[N-]=[N+]=NCCC(C(=O)O)N,0.9624612927436829
ClCCOC/C(=C\Cl)/Cl,0.9596782922744751
BrCC(=O)NCc1ccccc1,0.5785149931907654
SC(=N/C=C/N=C(S)S)S,0.36899861693382263
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9611144065856934
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.992447555065155
Cn1c(N)nc2c1cc1ccncc1n2,0.19128644466400146
COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.8914480209350586
Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.4933527112007141
O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.6510297656059265
COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9935609698295593
OCCOCCOCC,0.06427357345819473
Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.00849316269159317
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,0.022091621533036232
CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.02076237089931965
ClCCN(C)C,0.7216366529464722
BrC[C@H](c1ccccc1)Br,0.7741697430610657
Nc1ccc2c(c1)scn2,0.8005566596984863
CC(C(=O)O)N,0.21529047191143036
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.6901412606239319
O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.972978413105011
O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.0027392306365072727
Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.0577935092151165
Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.9519246220588684
OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.5033162236213684
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.21788248419761658
CC(=O)C1(CCNCC1)c1ccccc1,0.15936610102653503
ONc1nc(N)nc2c1[nH]cn2,0.9401786923408508
COC(=O)c1ccccc1CS(=O)(=O)N,0.16886505484580994
CC1CCN(CC1)N=O,0.9862104654312134
Oc1ccc(c(c1)O)C(=O)O,0.10795847326517105
[N-]=[N+]=NCCc1ccccc1,0.9107993841171265
COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.008636761456727982
S(Cc1ccccc1)Cc1ccccc1,0.12936840951442719
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,0.9709663391113281
CC(CC(C)(C)C)(CC(C)(C)C)S,0.3229091465473175
C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.9744971394538879
CNC(=O)ON(C(=O)NC)C(=O)NC,0.6926959156990051
NC(=O)C[C@H]1CO1,0.8474006652832031
Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6153467297554016
CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.940606415271759
c1ccc(cc1)N=Nc1ccccc1,0.5796509981155396
N#Cc1ccc(cc1)[C@]1(C)OC1,0.8553595542907715
ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8676994442939758
C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.016091400757431984
OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.009748673997819424
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.11015363037586212
O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9119834899902344
COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.9709830284118652
[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.9784437417984009
OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.04077921062707901
Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.04234346002340317
COc1ccccc1N,0.8899351358413696
CN(C(=S)SNCCNSC(=S)N(C)C)C,0.6004582047462463
CCCCCCCCCCCCCCCCCC(=O)O,0.01746630109846592
O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7440882921218872
c1ccc(cc1)/N=N/c1ccccc1,0.5796509981155396
OCNC(=O)CCl,0.5443087816238403
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9870409965515137
CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.01840607263147831
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.9321070909500122
Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.6945117712020874
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9190104603767395
CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.4884079098701477
[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9928922653198242
Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.04293191060423851
NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.4366488456726074
[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.9984389543533325
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9912567138671875
OP(O)O,0.3014875054359436
[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9858942031860352
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.01118017639964819
OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.006222806870937347
O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.014837652444839478
CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.013627809472382069
N=C(Nc1ccccc1)Nc1ccccc1,0.48611003160476685
OC(=O)c1ccccc1C,0.07306265830993652
Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.9280079007148743
C1CCC2C(C1)c1ccccc1CC2,0.04128407686948776
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.09859161078929901
OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8073055148124695
Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8962554931640625
Clc1cccc(c1)NC(=O)N(C)C,0.14845626056194305
[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.917308509349823
OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8433135747909546
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,0.13221600651741028
CC1=C(C)C(=O)C(=C(C1=O)C)C,0.06579188257455826
ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.05545185133814812
O=Cc1ccccc1Cl,0.17676690220832825
CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.956706166267395
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.05843247100710869
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9960013628005981
C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8793268203735352
OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.8245892524719238
ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9982005953788757
CCNC(=S)NCC,0.395503431558609
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,0.1028592586517334
OC(=O)C1(N)CCCC1,0.07709743827581406
Clc1ccc(cc1)CC[C@@H]1OC1,0.7501998543739319
CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.010234028100967407
CC[C@H]([N+](=O)[O-])[C@H](O)C,0.22499117255210876
CCc1ccc(nc1)C(F)(F)F,0.01798119768500328
CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.016197267919778824
CCC(OS(=O)(=O)C)C,0.9477275013923645
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,0.05497727915644646
CC(C(=O)Nc1ccccc1)Br,0.8540735244750977
COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.9806625247001648
COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.6498833894729614
CC1CCCO1,0.5683336853981018
CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.1535167247056961
Nc1c2CCCCc2nc2c1cccc2,0.9607343673706055
CC(CC(=O)C)C,0.03300250321626663
CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.02153852954506874
OC(=O)CCc1ccccc1,0.0696251168847084
Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.002849407261237502
Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8619512319564819
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.06248975917696953
CC(C(=O)NCc1ccc(cc1)Cl)Br,0.9654151797294617
CCCCCCCCn1sccc1=O,0.16498994827270508
CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.3198619484901428
Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.2865050435066223
BrC[C@H](Br)C,0.9341607093811035
OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.3437449336051941
COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9900134801864624
Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.992725670337677
OC(=O)CCc1c[nH]c2c1cccc2,0.05714668706059456
CCN(c1ccc(cc1)[N+]#N)CC,0.9460498094558716
COc1cc(ccc1O)C[C@H]1CO1,0.9746944308280945
Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7598681449890137
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.02995891310274601
Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8525460958480835
COc1cc(F)ccc1[N+](=O)[O-],0.8130092620849609
OC(=O)COc1ccc(cc1Cl)Cl,0.018881607800722122
[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.08446216583251953
COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.9193660616874695
O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.08200530707836151
CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.9212435483932495
Oc1ccccc1O,0.33786076307296753
ClC(=O)c1ccccc1Cl,0.9307395815849304
BrC[C@H]1CO1,0.9960192441940308
OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,0.021076571196317673
ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9959554672241211
Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.028094392269849777
O=NN(C(=O)N)C[Si](C)(C)C,0.9145134091377258
Oc1cccc2c1cccc2,0.4976890981197357
COc1nsc2c1cccc2OC[C@H]1CO1,0.9958227872848511
O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.9639433026313782
Clc1ccc(cc1)C(=O)Cl,0.9172228574752808
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,0.0012856867397204041
Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.7132480144500732
CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.933506190776825
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.9825255274772644
O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.020854318514466286
OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.9606897234916687
COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.9340499639511108
Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0022198923397809267
O=Cc1ccc2-c1cocc2COC(=O)C,0.8441110849380493
CSCNc1ccccc1C(=O)C,0.5933403968811035
CC1(OC1)c1ccc(cc1)Br,0.7371479272842407
N=c1nc[nH][nH]1,0.18889804184436798
COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6547650098800659
O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.7078127861022949
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9815433621406555
Cc1c2ccccc2c(c2c1cccc2)C,0.6558782458305359
CCCCCCCCCCCCCCCCCC(=O)N,0.03867005556821823
c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.12782791256904602
CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.0008806536206975579
CCC(=O)O,0.1034780889749527
CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.10117627680301666
O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9983381032943726
ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9110709428787231
O=CNc1ccccc1,0.8496443629264832
c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.4229734539985657
O=C1NOCC1(C)C,0.3662188649177551
O=c1cc(n(n1c1ccccc1)C)C,0.14588765799999237
O=C/C=C\c1ccco1,0.33198586106300354
CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7170296907424927
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.9243974685668945
NC(C(=O)O)CSCCCl,0.921249508857727
COC(=O)C(=C)C#N,0.03685261309146881
C/C(=N\O)/C(=O)C,0.12307892739772797
COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9951426386833191
ONc1ccccc1C,0.7461858987808228
Nc1ccc(cc1)c1ccc(cc1)Cl,0.7051881551742554
O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.7706323862075806
Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.045463044196367264
OCc1cccc(c1)[N+](=O)[O-],0.36550265550613403
OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,0.015092398039996624
CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.011171659454703331
COc1ccc(cc1N)N,0.9803529977798462
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.1321132481098175
CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9930844306945801
ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.09970791637897491
CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.8054801225662231
OCCNC(=O)N(CCCl)N=O,0.9979991912841797
[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.3316552937030792
CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.9899479746818542
N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8798100352287292
Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.96058589220047
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)cccc1,0.7105322480201721
NC(C(=O)O)CSC(C(Br)Br)(F)F,0.14777395129203796
C1OCCO1,0.522743821144104
OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.1422155350446701
CCCCCCc1ccc(cc1O)O,0.028043139725923538
Nc1ccc(c(c1)N)C,0.9593253135681152
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,0.9913169741630554
Cc1cccc2c1cc1ccccc1c2,0.7648971080780029
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.04115549102425575
[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.8491606712341309
O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.9295414686203003
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,0.6639820337295532
OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.505278468132019
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,0.14276893436908722
OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.4326969087123871
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.9190461039543152
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.08523868769407272
CCN(C(=O)Cc1ccccc1)CC,0.15065784752368927
S=c1scc(s1)c1ccccc1,0.30944451689720154
COc1nncc2c1ccnc2,0.06006557494401932
N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.008048959076404572
C[C@@H]1CCC(=C(C)C)C(=O)C1,0.27179154753685
Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.5098663568496704
O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.027098828926682472
O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.0020902235992252827
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.40436020493507385
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.8649213910102844
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9760940670967102
ClC#N,0.36814063787460327
CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.07841236144304276
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,0.07779563218355179
CC=O,0.368674635887146
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9756709933280945
Oc1cccc(c1)N(C)C,0.36588308215141296
CC(C(=O)NCc1ccccc1)Br,0.9811862111091614
C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.9115912318229675
C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.020418252795934677
CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6200876235961914
N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.44170522689819336
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,0.011642317287623882
Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.17867086827754974
Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.3280564844608307
c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9120031595230103
CCCCOC[C@H]1CO1,0.7504280805587769
COc1ccc(cc1N)NOS(=O)(=O)O,0.9776939153671265
CCOCCOC(=O)C,0.21030792593955994
Clc1ccc2c(c1)oc1c2cccc1,0.3742891848087311
ClCc1ccc(cc1)C(F)(F)F,0.14200614392757416
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9760940670967102
CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.710077166557312
CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.014817453920841217
O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.5968946218490601
CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7744317054748535
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,0.048443280160427094
O[C@@H](c1ccccc1)[C@H](N)C,0.02958727441728115
O1CCOCCOCCOCCOCCOCCOCC1,0.3364943563938141
c1ccc(cc1)Oc1ccccc1,0.5351941585540771
Cn1c(O)nc(nc1=O)NC(C)(C)C,0.053703673183918
OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.9757976531982422
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.930419921875
N#CCc1cn(c2c1cccc2)N=O,0.720302402973175
OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8522617220878601
O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.003548912238329649
CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.5849441885948181
Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.08579164743423462
Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9232743382453918
CC1=Nc2c(C1(C)C)cccc2,0.5008746385574341
NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17119476199150085
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.8530493974685669
CC(N(C(C)C)N)C,0.5041134357452393
O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.9615996479988098
Cc1cc(cc(c1)C)[N+](=O)[O-],0.5618055462837219
COc1ccc(cc1)CCC1OC1,0.931721031665802
CCNC(=N)N([N+](=O)[O-])N=O,0.8419917821884155
O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.009268981404602528
ONc1ccc(cc1)N=Nc1ccccc1,0.926002025604248
C1CCC(CC1)NC1CCCCC1,0.08467480540275574
ClC(=O)c1ccccc1C(=O)Cl,0.8366805911064148
CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.039680130779743195
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.9658429026603699
NC(=O)N=NC(=O)N,0.46934109926223755
CCOc1ccccc1OCC1CNCCO1,0.1539701223373413
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9715068936347961
COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9979560971260071
CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.00018176910816691816
c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.9745119214057922
CCSCC[C@@H](C(=O)O)N,0.1690203696489334
O=C1c2cc3ccccc3cc2-c2c1cccc2,0.8092458844184875
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.9849921464920044
[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.6185535788536072
[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9982842206954956
COS(=O)(=O)C(F)(F)F,0.7861000299453735
COc1ccc(cc1N)[N+](=O)[O-],0.9950079917907715
OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.27801522612571716
ClCCCC(=O)N(c1snc2c1cccc2)CC,0.3026381731033325
[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9916030764579773
C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.15237903594970703
ClC(=O)c1cccc(c1)[N+](=O)[O-],0.9984947443008423
CCN(C#N)N=O,0.8376282453536987
COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.480806440114975
CCN(CCCC(=O)O)N=O,0.9804351925849915
CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.9068180918693542
OCCNC(=O)[C@H](O)C,0.5204665064811707
CSc1nnc(c(=O)n1N)C(C)(C)C,0.023379765450954437
O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9787662625312805
O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.014267233200371265
OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.7057864665985107
OC(=O)CCC(=O)CC(=O)C,0.008705677464604378
COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.9355483055114746
O=C1CCCO1,0.17327359318733215
BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.963322639465332
O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.9465566873550415
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]3[N@@]4C[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,0.00011120429553557187
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.08826588839292526
N#N=NCCC(c1ccccc1)c1ccccc1,0.9635908007621765
C[C@H]1CO1,0.7488095760345459
CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.022386202588677406
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.9304141998291016
CCN=NC(OO)(C)C,0.9918605089187622
Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.8544141054153442
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9957815408706665
COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.6337376236915588
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,3.12573611154221e-05
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.0018674694001674652
C=CCOC(=O)C=C,0.15613336861133575
C/C=C/C=C/C=O,0.7735854983329773
Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.9914965629577637
O=Cc1ccccc1[N+](=O)[O-],0.6980798840522766
OCCN(N=O)CCO,0.9754641652107239
O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.8704463243484497
CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.013510753400623798
CNCC(=O)O,0.03813587874174118
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]21,0.005687978118658066
COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.899331271648407
Cc1cnc2c(n1)c1ncn(c1cc2)C,0.6022854447364807
Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9714342951774597
OCC12OOC2(C)c2c(O1)cccc2,0.8459855914115906
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,0.9770997166633606
COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.5188199281692505
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.07375315576791763
ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9697803258895874
OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.7588364481925964
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.28523364663124084
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.8808339238166809
CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.0306982584297657
OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.5351853370666504
ClCC(=O)OC(C)C,0.1302526891231537
[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9942157864570618
[O-][N+](=O)NC(=N)NC,0.9006603360176086
CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.2005026787519455
[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9760940670967102
ClC(=O)c1ccc(cc1)C,0.9470365643501282
OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.19136324524879456
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,0.0020896971691399813
CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.7019857168197632
ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.9342379570007324
C=CCN=C=S,0.31428250670433044
CCN=NO,0.9560484886169434
CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.3253490924835205
Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.13573169708251953
c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.9494274258613586
O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.020345479249954224
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,0.007417558692395687
C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.9141550064086914
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.001966830575838685
ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.903481125831604
Nc1ccc2c(c1C(C)(C)C)cccc2,0.5866569876670837
Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9391021728515625
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9801729917526245
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.22758392989635468
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.961460292339325
COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.36065131425857544
[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9796649813652039
Clc1ccc(c(c1)C)O,0.15149596333503723
OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.014864589087665081
CCC(=O)NCc1ccccc1,0.660622775554657
Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.873957633972168
Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5478307604789734
COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9934512376785278
Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8232545852661133
O=Nc1ccc2c(c1)cccc2,0.95635586977005
N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.25541165471076965
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.2011517584323883
OCC(CO)(CO)CO,0.20490112900733948
CCn1c2ccc(cc2c2c1cccc2)N,0.9919636845588684
Clc1ccc(c(c1)N)O,0.3002539575099945
CCNc1ccccc1,0.690169632434845
CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.20137877762317657
OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.809742271900177
O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.0341251976788044
c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.3899696469306946
C1CC[C@H]2[C@@H](C1)O2,0.12206462770700455
CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.15011242032051086
Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.8604900240898132
OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9662200808525085
OCC(Cl)(Cl)Cl,0.3133169710636139
OC[C@H]1CCCO1,0.44452396035194397
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,0.011530180461704731
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.997654139995575
C/C=C/C=O,0.7864507436752319
CC(OC)CCO,0.28873324394226074
OCC#CCO,0.561363160610199
OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.0038015232421457767
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.004916212987154722
O=NN1CCOCC1,0.9488603472709656
OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],0.9365251660346985
c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.9232808947563171
c1cnc2c(c1)C1OC1CC2,0.30135583877563477
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.0011336018797010183
S=C1SSC2=NCCN12,0.6455321907997131
O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.024966862052679062
Oc1cc2ccccc2c(c1)O,0.5217009782791138
Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9765084981918335
C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.16107329726219177
c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.9524116516113281
OCC1OC(C(C1O)O)n1ccc(nc1=O)N,0.24047167599201202
CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.024749362841248512
O=CN(N=O)C,0.9346272349357605
Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7413647770881653
OC(=O)C(Cc1ccc(cc1)O)N,0.23169589042663574
C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9370152354240417
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,0.6993325352668762
ClC([N+](=O)[O-])Cl,0.5248008370399475
OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.041298408061265945
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.437039315700531
CC(=O)Nc1cnc2c(c1)cccc2,0.6101640462875366
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,0.9945985674858093
CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.0029081839602440596
CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.9338238835334778
C[N+]1(C)CCOCC1.Cl,0.03134046867489815
C/N=N/O,0.9376460909843445
Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.9554712176322937
CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.2619256377220154
CC1CCCC2(C1(O)CCCC2)C,0.048132818192243576
OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8644396066665649
Cc1cccc2c1cccc2,0.6051801443099976
Cc1ccc(cc1)/N=N/N(C)C,0.8706073760986328
CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.05497727915644646
Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.311027854681015
CCOC(=O)C(C(=O)C)Cl,0.034115858376026154
OCNC(=O)NCO,0.17324598133563995
OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9634121060371399
O=C/C(=C\c1ccccc1)/C,0.24977438151836395
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.8809157609939575
NC(=O)N,0.3963414132595062
COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.5253281593322754
ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.32272058725357056
O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.9390938878059387
COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.33438539505004883
[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9896548390388489
ON1C(C)(C)CCCC1(C)C,0.4520495533943176
O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.9741498231887817
BrCc1ccccc1,0.16340288519859314
O=C1NC(=O)c2c1cccc2,0.4392423629760742
ClC1=C(Cl)C(=O)OC1,0.9122734069824219
CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.2629086673259735
CN=NO,0.9376460909843445
Cc1ccc2c(c1)cccc2,0.48510342836380005
O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.9580248594284058
ClCC(=O)c1ccc(cc1)NC(=O)C,0.720561146736145
CCCC(C(=O)O)CCC,0.023948093876242638
O=Cc1cccc2c1nccc2,0.17241200804710388
ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9053818583488464
O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.05245815962553024
OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.716886043548584
OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.29253020882606506
c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9752039909362793
OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.1808212399482727
ON(c1ccc(cc1)Br)C(=O)C,0.4659959375858307
Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.9133437871932983
CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.9008623361587524
FC(=C(F)F)F,0.43605750799179077
COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.1981988400220871
CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.07601380348205566
Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9955657720565796
OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9963001012802124
Clc1ccccc1C(F)(F)F,0.026627162471413612
Clc1ccnc2c1cccc2,0.422797828912735
CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.169068843126297
CCCOc1ccc(cc1N)N,0.8858858942985535
CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.004936225712299347
ClNc1ccc2-c3c(Cc2c1)cccc3,0.6386076807975769
N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.007108171936124563
Sc1nc2c(s1)cccc2,0.08445842564105988
CCCCCN(CCCC)N=O,0.9220307469367981
N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9875814318656921
CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9819738268852234
Clc1cc(N)c(c(n1)C(=O)O)Cl,0.07237683236598969
O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.8454345464706421
O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9996128082275391
NCCCN(CC)CC,0.20204515755176544
NCC[C@H](N)C,0.02330734208226204
Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.3286471366882324
CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.028587307780981064
C1CCC[C@H]2[C@@H](CC1)O2,0.12206462770700455
OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.007456653751432896
ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.6970722675323486
OC(=O)C(CC(=O)c1ccccc1N)N,0.2445814609527588
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.056866563856601715
NC(=S)Nc1cccc2c1cccc2,0.43202686309814453
OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.7924798727035522
Cc1cc(O)nc(n1)S,0.038144007325172424
COc1cc(ccc1OC)C[C@H]1CO1,0.9715594053268433
OC(=O)C(Cl)(Cl)Cl.[Na+],0.08172833174467087
Cc1cc2cc3ccccc3cc2c2c1cccc2,0.936844527721405
c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9670713543891907
NCCCNCCCN,0.25809311866760254
O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.08571778237819672
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.03486497700214386
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.07573001831769943
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.886568546295166
Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.17480728030204773
CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.011833054944872856
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,0.03860603645443916
O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.9762651324272156
FC(C(F)(F)F)F,0.08769823610782623
CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.005482478532940149
CCNC(=O)CC[C@@H](C(=O)O)N,0.09917990118265152
CCOCCOCC,0.14850865304470062
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.003705546259880066
O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.07833993434906006
NC(C(=O)NCC(=O)O)CS,0.8483250737190247
C=COC(=O)C=C,0.07823562622070312
OCCP(=O)(O)O,0.1365084946155548
OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.9731498956680298
N#N=NC(c1ccccc1)c1ccccc1,0.8280023336410522
OC(=O)CP(=O)(O)C,0.06125430017709732
[O-][N+](=O)NC(=N)N(N=O)CCCC,0.9810281991958618
Cc1cccc2c1c1cc3ccccc3cc1cc2,0.8654961585998535
[O-][N+](=C1CCCC1)[O-],0.683326244354248
Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.18089072406291962
O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.046307407319545746
CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.9794535636901855
Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.9616676568984985
c1ccc2c(c1)cncc2,0.4306620955467224
Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.23806194961071014
ClC1=CC(=O)C(C1=O)(Cl)Cl,0.5704654455184937
COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.03836343437433243
OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.0096085574477911
CCc1ccc(cc1)[N+](=O)[O-],0.7406989932060242
ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9866671562194824
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.23386426270008087
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.05872070789337158
Oc1ccccc1/C=N/c1snc2c1cccc2,0.8318134546279907
OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.0022883755154907703
c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9953635334968567
CCCSC(=O)Cl,0.03032066486775875
COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7987386584281921
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.4706922471523285
OC1C2OC2c2c(C1O)ccc1c2cccc1,0.6893170475959778
CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.4420417249202728
OC(=O)/C=C/C(=O)O,0.07004290074110031
COC(=O)C12OC2(C)C(OC1=O)C,0.945173442363739
COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.005512291565537453
CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.6288781762123108
[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9634017944335938
CCCCc1cc(C)cc(c1O)CCCC,0.04644722118973732
ClCC(=O)N(c1snc2c1cccc2)C,0.8551698923110962
Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.9576595425605774
N1CCN(CC1)c1ccccc1,0.2507362365722656
OCc1ccc(cc1)NNC(=O)C,0.8898172378540039
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.00046734148054383695
OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.2794386148452759
COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9848707318305969
O=C1N(C)CCCN1C,0.31265994906425476
O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.7513982653617859
ClCCSCc1ccccc1,0.5997126698493958
Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9386045336723328
CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9509441256523132
Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.06640012562274933
Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.016199186444282532
Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.011622341349720955
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,0.955512523651123
CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.01840607263147831
CCOc1ccc(cc1)NO,0.7680009007453918
N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.0013814857229590416
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,0.000600679311901331
OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.1273944079875946
CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9107270240783691
Oc1c2ccccc2nc2c1cccc2,0.6453091502189636
CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.9753525853157043
CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.6288781762123108
CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.008868569508194923
COc1cccc(c1)/C=C/c1ccc(cc1)N,0.8999285697937012
CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.09751474857330322
ONc1cc2c([nH]1)cccc2,0.919643759727478
Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.000506557640619576
OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.010856401175260544
O=NN(C(=O)c1ccccc1)C,0.9309850931167603
CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.5187088251113892
Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.5416026711463928
O=Cc1ccc2c(c1)OCO2,0.13436873257160187
O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.15787655115127563
Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.9780583381652832
[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.08805201947689056
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.32476723194122314
CNc1nc2c(n1C)ccc1c2cccn1,0.9631478190422058
Sc1ccc(cc1)[N+](=O)[O-],0.6788769960403442
Cc1cccc(c1N)C,0.4568536877632141
CCCCCOC(=O)C=C,0.006192096509039402
Nc1ccccc1SCSc1ccccc1N,0.8783868551254272
Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.8342739939689636
ClCCN[P@]1(=O)OCCCN1CCCl,0.9875273704528809
COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.01024587731808424
CCOC(=O)CNC(=O)CBr,0.2974260747432709
CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.22975817322731018
CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.01569652184844017
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.0007802826585248113
Brc1ccccc1c1ccccc1,0.3147028386592865
CC(=O)OCc1ccco1,0.3561667501926422
C1C/C=C/CCC2C(CC/C=C\1)O2,0.16107329726219177
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,0.30647361278533936
COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.017613913863897324
CC(N)(C)C,0.23835261166095734
[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9957057237625122
O=Cc1cccnc1,0.06901097297668457
Cc1cccc2c1nccc2,0.687194287776947
N#CCc1ccccc1[N+](=O)[O-],0.1482207328081131
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.0005119151901453733
CCON(C(=O)c1ccccc1)OC(=O)C,0.9889945983886719
ClCc1ccc(cc1)C#N,0.2793811857700348
COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.972454845905304
[O-][N+](=O)c1ccccc1Cl,0.7592945694923401
CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.364717572927475
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.993156909942627
O=C(C(=C)C)OCCOC(=O)C(=C)C,0.17619140446186066
CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.06634890288114548
Oc1ccccc1,0.17012295126914978
O=NN(C(=O)N)CCCC(=O)O,0.9297800064086914
CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8737837672233582
FC(C(F)(F)F)(Cl)F,0.049106620252132416
CC(=O)NC(C(=O)O)CSCCCl,0.9431144595146179
CNC(=O)Oc1ccccc1OC(C)C,0.10813580453395844