Oc1ccc(N2CCNCC2)cc1 66007
Cc1n[nH]c(C)c1CCN 316939
C[C@H](C(=O)O)[C@H](C)C(=O)O 388422
CSCCCN 1529637
COC(=O)c1cc(C=O)ccc1O 2513886
CC(C)(N)C(=O)N1CCCCC1 19672337
N[C@H]1CCCC(=O)C1 21986272
NC(=O)CCOc1ccccc1N 32625241
Cc1ncc(CO)s1 36379766
CC(C)n1cncn1 39281346
COC(=O)c1cc(N)cc2cn[nH]c12 40448493
C[C@H](c1cnn(C)c1)n1nccc1N 44500775
C[C@@H]1CCS1(=O)=O 45069824
COCCOc1cnc(N)cn1 71787940
CNc1cnc(C)cn1 114529166
N=C(N)c1scc2c1OCCO2 238613354
C[C@@H]1COC[C@@H](C)N1CCCN 335257080
N[C@](CO)(C1CC1)C(F)(F)F 714093696
COC[C@H](N)[C@]1(O)CCS[C@H]1C 958528151
CCN(CC)C(N)=O 409175
CCc1nsc(N)n1 2506771
NC(=S)Nc1cnccn1 2538964
Cc1nn(C)cc1/C=C/C(=O)O 2755721
CC(C)NC(=O)C1CCNCC1 4615208
O[C@@H]1CCCCC[C@H]1O 4786850
CC1=N[C@@H](C(=O)O)CC1 5964646
O=C1NC(=O)N2CCCC[C@H]12 7814924
Cc1nc[nH]c(=O)c1F 8462040
CC(C)NCCC(=O)O 12505518
CC[C@@H](CN)C(=O)O 13507029
Cc1nc2nc(C)c(C(=O)O)cn2n1 14988568
CC(C)c1nc(CCN)no1 15417224
COc1nc(C)cc(N)n1 25491744
COC(=O)[C@@H]1CCCN[C@H]1C 38338400
CC[C@](C)(N)c1nc(C)no1 86798067
CCN[C@@H](C)C(=O)OC 89221211
CC(C)[C@H](C(=O)O)[C@@H](C)N 113966807
CCOC(=O)[C@H]1C[C@@H](O)CCO1 238267487
C[C@@H](N)c1cnccc1O 238803236
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)O)[C@@H]4[C@@H]3[C@@H]12 238853560
C1COC[C@H](C2CC2)CN1 253181859
O=C(O)c1cnnn1C1CC1 258597562
CCn1ccc(C(=O)OC)cc1=O 260858959
O=C(N[C@@H]1C=CCCC1)c1cnn[nH]1 334210867
CO[C@H]1C[C@H](N2CCC(=O)NC2=O)C1 706586770
COc1c(N)ccn2nccc12 953039197
NC[C@H]1C[C@@H](n2ccnn2)C1 1857779146
C[C@@H]1N[C@H](C(=O)O)CS1 39480
NCc1noc(-c2ccco2)n1 8729398
CN(C)CCN(C)CCN(C)C 19366286
Cc1[nH]cnc1CN1CCN(C)CC1 22594876
Nc1cccc2[nH]c(=O)[nH]c12 34434730
CCc1ccc[nH]c1=O 39213072
O=C(O)CCN1C[C@H]2CC[C@H]1C2 100011295
NC(=O)[C@]12CCC[C@@]1(C(=O)O)C2 139935695
CC1(C)Cc2ccc(N)cc2B(O)O1 204981424
O=C1N[C@@H](C2CC2)[C@]12CCCO2 238854780
Cn1cc([C@H]2NC(=O)C23CCC3)cn1 238854962
CN1C[C@H]2C[C@H](N)CC[C@H]2C1 250653603
C[C@@H]1CCNCC[C@]1(C)O 253612739
C=CC(=O)N[C@@H]1CCC[C@]1(C)O 1875374617
COc1ccccc1OC[C@H](O)CO 353
OCc1ccc2c(c1)OCO2 157455
NC(=O)c1ccc(F)cc1 407004
CC(C)[C@@H](C)N 2034504
COC(OC)c1ccnc(N)n1 2563808
COc1ncnc(N)c1OC 5319078
N[C@H](CC1CC1)C(=O)O 8076534
COc1ccc[nH]c1=O 8626369
CNNCc1ccccc1 19167414
C[C@H]1CN(C)[C@H](C)CN1 32915050
COCCn1cc(C=O)cn1 39062568
Cc1[nH]cnc1CN 54793415
CC[C@@H](C)[C@@H](N)C(=O)OC 56963145
CN1C[C@]2(CCCNC2)CCC1=O 67425160
OC[C@]1(C(F)(F)F)CCNC1 83300746
O[C@H]1CC[C@@H]2C[C@@H]1CC[C@@H]2O 100663952
COC[C@]1(C(=O)O)CCOC1 135096497
NC(=O)c1cccc(N)c1F 143396771
O=C(O)[C@@H]1CC[C@@H]2CCC[C@H]2N1 210183615
CCCNC(=O)N[C@H]1CC[C@@H](N)C1 307007589
C=CC(=O)NCc1cc(C)nc(C)n1 820437468
Cc1cc(N)n2nc(C)cc2n1 208676
C[C@H](CC(=O)O)C(=O)O 391200
CN(CCO)c1ccc(C=O)cc1 2571460
CNS(=O)(=O)Nc1ccccc1 3164836
O[C@H]1CCCO1 5134452
O[C@@H](c1ccncc1)[C@@H]1CNCCO1 16125300
Nc1nc(NC2CC2)c2nc[nH]c2n1 31819411
NCc1ccc(F)cn1 39050203
O=C(O)[C@@H]1CCNC[C@@H]1F 76577303
Nc1nc2ccc(=O)[nH]c2s1 84225529
CCOC(=O)C(=O)[C@@H]1CCCC1=O 100042980
Cc1cc(N2CCNCC2)cc(=O)o1 138031013
COCOC/C(C)=C\CO 216604866
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2[C@H]1O 245228380
COC(=O)[C@@]12[C@H]3[C@@H]4C[C@@H]([C@H]5[C@@H]4[C@@H]51)[C@H]32 247823067
CN1[C@H]2C[C@H](O)[C@H]1[C@H]1CC[C@H]2C1 257357969
N[C@H](C1CCC1)[C@@]1(O)CCCOC1 958528134
CC[C@]1(CO)C[C@H]2CC[C@@H]1N2 1800413837
Nc1cc(O)cc(C(=O)O)c1 968065
COC(=O)[C@H]1CCCNC1 1605230
NC(=O)N1CCCCCC1 3886443
C[C@H]1[C@@H](O)C2CCN1CC2 4787694
C[C@@H](CO)CN(C)C 6036517
N[C@@H](CCO)c1cccc(O)c1 12649989
C1CC1CN1C[C@H]2C[C@@H]1CN2 19796090
C[C@@H]1CCC[C@]2(C1)NC(=O)NC2=O 22170121
NC1CCN([C@H]2CCCC[C@@H]2O)CC1 37690845
CC(C)(C)[C@H]1NCC(=O)N1 38250954
COC(=O)c1ccc(F)c(NN)c1 40449904
CCNC(=O)Cn1ccnc1 41391547
C1CO[C@H](C2CC2)CN1 57218944
CN1C[C@@]2(CCCNC2)OC1=O 71372396
C1C[C@]2(CCO2)CN1 72194283
O=C1OCCCCO1 113034077
COC(=O)CCc1cnn(C)c1 144481544
O=C(O)c1ccncc1-n1cccn1 162499334
C[C@H](C(N)=O)C(=O)c1ccncc1 224070407
CCOC(=O)[C@@H]1[C@H]2CC(=O)C[C@H]21 242547850
C=CC(=O)NCC[C@@H](O)C(F)(F)F 585091384
CC(F)(F)CCCS(N)(=O)=O 642882207
CC(C)[C@@H](N)[C@]1(O)CCOC1(C)C 958527706
N[C@@H](CCC(F)(F)F)C1(O)COC1 958528287
C[C@@]1(C(F)F)CNC(=O)C1 1775955168
O=C(O)c1cc2cccn2c(O)n1 1775956472
FC(F)C1=NO[C@H]2CNC[C@@H]12 1857779419
CNC(=O)c1cccc(N)c1 39702
O=C1CCCCN1C1CCNCC1 2577365
CCOC(=O)[C@H]1CCC(=O)C1 4416645
C[C@H](Nc1ncccn1)C(=O)O 13536167
NCCCNc1ccccn1 19433035
c1cc([C@@H]2CCCNC2)[nH]n1 19685964
Nc1noc(-c2cccnc2)n1 20357601
CCn1cc([C@H](C)O)cn1 26546687
CCOC(=O)N1CCC[C@@H](CO)C1 35248106
Cc1cc(CC(=O)O)nn1C 41167204
CC[C@H](N)c1ccn(C)n1 82410427
O=C1CC(c2cccs2)=NN1 100497359
CC1(C)CCNCC[S@]1=O 238854038
C/C=C/CC(=O)N1CCO[C@@H](CN)C1 308387798
CC(C)(C)[C@@H](N)C1(O)CCNCC1 958528762
O=C(O)C[C@@H]1CNC2(CCOCC2)C1 1775954805
O=C1CCCC[C@@H](O)CNCC1 1857783347
Cc1cc(=O)n2ccc(N)c(O)c2n1 435489
C[C@H](O)C(F)(F)F 2040700
CC(=O)CC(C)(C)NC(=S)NN 5601907
CNC(=O)NCc1ccncc1 9875631
CCc1nc(CCN)no1 15417221
CNC[C@H](C)CN1CCCC1 19088061
c1ccc([C@@H]2CNCCO2)nc1 19686862
O=C(O)CNCc1ccccn1 21953256
N[C@H]1CN(Cc2ccccc2)C[C@@H]1N 23361502
COc1cc(C=O)cnc1OC 34244770
Nc1cccn2ccnc12 34551954
C[C@@H]1C[C@H]1N 36379812
COc1ccnc(C(=N)N)c1 61814506
Cc1c[nH]nc1[C@H]1CNCCO1 82402494
CCOC(=O)c1nn2c(c1C)OCC2 257173091
COC(=O)[C@@]12CC[C@@H](N1)C(F)(F)C2 261506853
O=C(O)[C@H]1C[C@H](F)C1 307677434
Cc1cc(F)cnc1N1CCNCC1 953065049
NC[C@@H]1CO[C@H](C(F)(F)F)C1 1857783342
FC1(F)[C@@H]2CCNC[C@@]21F 1875347818
NC[C@@H]1COC2(CCC2)CO1 1875350489
O=C(O)[C@@H]1CCCC[C@H]1C(=O)O 122702
CCOC(=O)COC 153349
O=C(O)[C@H]1CCCC[C@H]1O 392566
Cc1c(C)n(O)[n+]([O-])c1C 404997
CC[C@H](CO)NC(C)C 2044804
CN1C(=O)COc2ccc(N)cc21 3884430
Cc1ccc([S@](=O)NN)cc1 5683825
CCN1N=C(C)CC1=O 8339557
O=C(O)CNCc1ccco1 20216488
COC(=O)c1cnc(OC)nc1OC 34446530
Cc1cc(N)c(=O)[nH]c1C 38522622
COc1ncncc1N 39053610
OCCOc1ncc(Cl)cc1O 66054418
CC1(C)CCN[C@@H]1C(=O)O 66055012
Nc1ncccc1CCO 69943952
O[C@@H]1CC[C@H]2CNC[C@H]2C1 95635176
CCOCC1(N)CC1 98213452
CN(C)[C@@H]1CC[C@@H]2CNC[C@@H]21 204284848
N[C@@H]1CC[C@H]1CC(=O)O 211856382
C[C@H](F)CCN1C(=O)CN(C)C1=O 306528974
C1OC[C@@H]2[C@@H]1[C@@H]1CNC[C@@H]21 521399601
CC1(C)COC[C@@H](CC(=O)O)O1 685944369
NCCn1cc([C@@H]2CCOC2)cn1 1535642494
C=CC(=O)N[C@H](C)c1cnnn1C 1875366595
O=C1C=C[C@@]2(CC[C@@]23C=CC(=O)O3)O1 1609645
N[C@H](CCO)C1CC1 2530266
O=c1cc(O)[nH]c(C(F)(F)F)n1 4396989
Nc1cc[nH]c(=S)n1 4528739
CC[C@H](O)CC(=O)O 4975458
CCNC[C@@H]1CCN(C)C1 19091631
CCC[C@@H]1SC(N)=NC1=O 26806608
COc1nc(Cl)ncc1N 40538008
NC[C@H]1CC1(F)F 68577141
CNC(C)(C)C[C@H](C)O 71773002
O=C1C[C@@H](c2ccoc2)CN1 85133750
CC[C@H]1CC(=O)NN1C 96027579
CCCN1C[C@@H](C(=O)OC)CC1=O 113466527
CCOC(=O)Cn1nccc1C=O 148298260
NC(=O)c1cc(Cl)ncn1 166978675
O=C(O)c1nc(Cl)ncc1F 205632191
C=CC(=O)N[C@]1(C)CCO[C@@H]1C 235696179
COC1(OC)CC(C)(CO)C1 238360241
COCc1cc(C=O)on1 258519140
COc1nccc2c(O)nc(O)nc12 261507030
C=CC(=O)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@@H]2C1 888098992
COC[C@H](N)[C@@]1(O)CCC(C)(C)C1 958528474
CSc1nc(C)nc(N)n1 76642
O=C(O)c1c(O)cc(O)cc1O 389778
CCN(CC)C[C@@H](C)O 404357
O=C(O)CCCCC(=O)O 1530348
CCSC1=C(Cl)C(=O)NC1=O 3130402
CNC(=O)c1ccc2c(c1)OCCO2 7813502
CCOC(=O)c1cc(N)[nH]n1 12397772
CN1CCC(NC(=O)C2CCC2)CC1 16604963
O=S1(=O)C[C@H]2C=CC=C[C@H]2C1 34075785
Oc1nnc(C2CCNCC2)o1 40380563
CN(C)CCCN(C)[C@@H]1CCCNC1 71707804
CCC(N)(CC)C(=O)OC 95619266
Cn1nc(Cl)cc1N 95708229
C[C@@H]1CNC[C@@H]1F 107263045
CCOC(=O)/C=C(\N)CC 140136718
CN[C@H](CC(F)(F)F)C(=O)O 218389500
OCCN1CC[C@@H](CF)C1 219505962
CC[C@H](C(=O)O)n1ncnc1Cl 223250368
CC1(C)CC(=O)N(CC(=O)O)O1 257831987
C[C@H]1CC[C@@H](C)N[C@@H]1C(=O)O 669385174
N[C@@H](c1ccsc1)[C@]1(O)CCOC1 958527666
N[C@@H]1CCOCCC1(F)F 1535421463
NCc1ccc(O)cc1 153933
C[C@H]([C@H](N)C(=O)O)C(F)(F)F 1580830
CN1CC=CCC1 1693919
N[C@@H](Cc1cscn1)C(=O)O 2568081
O=C1CCC(=O)CC1 3860985
O=C(O)[C@@H]1CCC=CN1 12650414
Nc1ncnc2[nH]ccc12 13518237
O=C(O)CCCCCP(=O)(O)O 13525538
CC(C)CN1CCN[C@@H](C)C1=O 19088703
COC(=O)C12CC(C(=O)OC)(C1)C2 34224337
OCC12CCC(CC1)CN2 35330213
CCOC(=O)CS(=O)(=O)C(C)C 37684807
C[C@@H]1CC(=O)C[C@@H](C)N1 40539473
OC[C@H](O)CCC1(O)CCCC1 44126884
c1ccc(C[C@@H]2CNCCN2)cc1 89222916
NC(=O)[C@H]1NCc2ccccc21 116027311
COc1c(C(=O)O)cc[nH]c1=O 142379246
COC[C@]1(C(=O)O)CCCNC1 160587212
CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238899740
Cn1ncc(C2CC2)c1CN 257822229
O[C@@H]1CCN[C@@]12CCSC2 258145594
N[C@@H](C1CC1)[C@@]1(O)CCCOCC1 958527712
COC(=O)c1ccoc1CNN 1535645062
CC(=O)NCC[N@@]1NC12CCCC2 1857524839
C[C@](CN)(CC(=O)O)C(F)(F)F 1857781005
CN(C)n1cccc1 407100
N=C(N)Cc1ccccn1 1442801
Clc1cccn2nnnc12 1590218
COCC(C)(C)O 2509901
O=Cc1ncco1 2530178
O=C(O)COc1ccc2c(c1)OCO2 4201318
CC(=O)c1c(C)nn(CC(=O)O)c1C 4243116
NCCC[C@@H](N)c1ccccn1 6732094
COC(=O)C(=O)C(C)C 13525876
O=c1c[n+](-c2ccccc2)[nH]o1 15767329
c1ncc2c(n1)CCNC2 20383433
C[C@](N)(C(=O)O)c1ccco1 34111585
COCCSCC(=O)OC 35083777
CCc1nc[nH]c(=O)c1Cl 40435022
CCOC(=O)[C@H](F)C(=O)CC 100004053
CCOC(=O)C(=O)[C@H]1CCCC1=O 100042983
CC(=O)N[C@H]1C(=O)Nc2ccccc21 100709559
O[C@@H]1C[C@H]2CCCCN2C1 101724920
FC(F)[C@@]1(F)CCNC1 156412993
CC(=O)N[C@@H]1CCn2ccnc2C1 169798139
COC(=O)c1cccc2c(N)n[nH]c12 202032002
CCOc1nccnc1NN 203690455
NC12CCC(CO)(CC1)C2 215059643
O[C@H]1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2[C@H]1O 245228068
CN1CC[C@@H](N2CCC=C(F)C2)C1=O 335445027
CNC1CCS(=N)(=O)CC1 685939191
CC(C)C1(C(=O)NC2CC2)COC1 929192851
O=C(O)c1c(O)cccc1O 388545
CC(C)CC(=O)C(=O)O 1532578
COCCC[C@H](C)O 2172227
NCc1ccc2c(n1)NCCC2 2527505
O=c1cc[nH]cc1F 2599064
CC[C@@H]1CNCCO1 12769423
COc1ccncc1C(=O)O 14507811
COCCOC1CCNCC1 14631862
OCc1cnc(C(F)(F)F)nc1 26423807
CCc1c(C)cc(C(=O)O)c(=O)n1C 29865951
OCc1nc(-c2cccnc2)no1 29866001
COC(=O)[C@@H](N)C1CCSCC1 35629963
COc1ccc(N)nc1OC 38537221
NC1CN(Cc2ccccc2)C1 64033790
CCc1nc(N)no1 82411800
O=C(O)C[C@H]1CCNCC1(F)F 214196327
C[C@]12O[C@@]3(O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 253591221
O=C(O)c1cn2c(n1)CCCN2 1857784850
c1cc2nonc2c2nonc12 328553
COc1cncnc1N 331862
O=c1cc(-c2ccccc2)c1=O 1665559
OCCCNCc1cccnc1 1692504
C1=COCC1 1752336
COC(=O)C[C@@H](C)C(=O)OC 2039401
COC(=O)[C@H](O)C(F)(F)F 4269247
O=C(O)c1cccc(-n2cnnc2)c1 4414263
C1=CCNCC1 4758252
c1cc(N2CCOCC2)ccn1 5380419
COC(=O)c1cccc(N)c1O 15020342
Cc1ncc(C=O)o1 20443735
CN(C)c1ccc(O)cn1 34638620
COC(=O)c1nccc(C)n1 39057578
OC1C[C@@H]2CCC[C@H](C1)N2 39205616
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O 100181154
Cc1csc2[nH]c(=O)oc(=O)c12 115688487
Cc1nn(C)c(C(=O)O)c1S 125856962
CN1CCN[C@@H]2CC[C@@H]21 211635036
CN1Cc2cc(CN)ccc2C1=O 219480910
O=C1COc2cc(F)cnc2N1 222558370
O=C(O)c1ccc(O)nc1F 238672043
O=C(O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 306901200
OC[C@H]1COC2(CCC2)C1 953119843
Nc1nc(N)nc(-c2ccccn2)n1 547386
C=CC(=O)O 895281
NC(=O)[C@@H]1CCCC[C@@H]1O 1081409
CCCCC[C@H](O)CO 2386044
OCCCn1cccc1 2556835
COC[C@@H](C)NC1CCN(C)CC1 2897665
N=C(N)SCCc1c[nH]cn1 5425255
OCc1ccsc1CO 12404744
C1CC2(C1)CNC2 20380901
CC1(C)C[C@H](CO)O1 72267059
CCOC(=O)[C@@H](N)C(=O)C(F)(F)F 113197912
CCOC(=O)C1(CO)CCOCC1 143436682
C[C@@H]1CCC[C@H]1CS(N)(=O)=O 226776138
NC(=S)c1nccnc1Cl 958528005
O=C1C[C@@H](CC(F)(F)F)C(=O)N1 1776002701
CNC(=O)c1ccnc2nccnc12 1875321881
CC[C@H]1CNCC[C@H]1CC(N)=O 1875336893
COc1cccc(C(=O)O)c1N 389612
COc1cc(C(=O)CO)ccc1O 394315
COc1cccc([C@@H](O)C(=O)O)c1 403030
O=C1CCC(=O)C1 3861294
CC[S@@](=O)CCSC(=N)N 4141709
CN1C(=O)N[C@@H](c2ccccc2)C1=O 4213994
NC1=NC(=O)c2ccccc21 4528689
O=C(O)C1CC(C(=O)O)C1 5133268
c1cnc2nccn2c1 12350100
NNC1CCCC1 19168297
NC1=NCCNC(c2ccccc2)=C1 19909419
Cc1cnc(CNC[C@H](C)O)s1 22862427
Cc1nccnc1CO 32150348
N=C(O)c1cocn1 66352180
O=C1NCCc2ccc(O)cc21 71477129
O[C@H]1CNCCC12CC2 84309744
CC[C@@]1(C(=O)O)CC(F)(F)CN1 96028440
CN[C@H]1CC[C@H](O)CC1 100025489
COC(=O)[C@H]1CC[C@@H](O)CC1 114194888
CCCCC[C@H](N)C(=O)NC 147195054
CCN1C[C@@H]2CCNC[C@@H]2C1 204369956
NCCN1CC[C@@]2(CCOC2)C1 306526084
O=C1CCNCCC1(F)F 409436745
CC(C)(C)C[C@@H](N)C1(O)CNC1 958528395
O=C1C[C@H]2[C@H](CN1)C2(F)F 1535543656
O=C(O)C(F)(F)CCn1ccnn1 1772715620
O=C(O)C1(Cc2cnn[nH]2)CCCC1 1772716056
Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1 71341
NC(=O)c1ccc(Cl)nc1 163243
COc1ccc(OC)c([C@@H](O)CN)c1 2001181
CC(C)OC(=O)NCCOC(N)=O 2031582
N[C@H](C(=O)O)c1ccccn1 4202360
CC[C@@H]1COC(=O)N1 4783278
CCCc1cc(O)n2nc(N)nc2n1 6752701
Cn1cncc1CC(=O)O 12496497
CC1=NO[C@H](C(=O)O)C1 13483713
C[C@H](CCN)N1CCOCC1 19092016
NC(=O)Cc1ccc(F)c(F)c1 65731417
Cc1c[nH]c(=O)cc1N 71255548
Cc1ncc(N)n1C[C@H](C)O 100202653
CCOC(=O)[C@H](N)[C@@H]1CCCCO1 116673923
CCOC(=O)c1cn(C(C)=O)[nH]c1=O 167236106
CC1(C)NC(=O)CC[C@@H]1N 225392113
Nc1ccnc2c1CCO2 238660175
C[C@H]1C[C@@H](N)CN1CCF 306739677
CN1C(=O)OC[C@@H]2CNC[C@@]21C 407947240
COC(=O)[C@@]1(C)C[C@H](N)CCO1 642885466
C=CC(=O)NC[C@H]1CC(C)=NO1 952878645
C1CO[C@@H](C[C@H]2CNCCO2)C1 1535631950
O=C(O)[C@H]1C[C@H]2CC[C@H]1CNC2 1775955870
CO[C@H]1[C@H](N)CC12CCC2 1857782939
COC(=O)c1ccccn1 158231
C[C@H](N)C(=O)CCCCCC(=O)O 1532843
CCCC[C@@H](N)CO 1694091
CC(C)(C)c1cc(N)n(CCO)n1 12505436
O=c1[nH]c2c(F)cccc2c(=O)o1 12648999
Fc1ccc2nncn2c1 18555998
N[C@@H]1CCc2c[nH]nc2C1 18560336
c1cnn(C2CNC2)c1 19091772
COC(=O)[C@@H](N)Cc1ccc(O)cc1 19735707
FC[C@@H]1CCCN1 40449172
COC(=O)C[C@H](N)c1ccccn1 57353614
NCc1ncc(Br)cn1 64033805
CNC1=NC(C(F)(F)F)=NOC1 70461107
C[C@H]1CC[C@H](CO)CN1 82164206
CN(C)[C@H]1CCCC[C@@H]1N 95079627
C[C@]1(O)C[C@H](CN)C1 103539734
O[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@H](C3)[C@H]12 104310714
NCCc1cncc(O)c1 170687942
O=C1N[C@H]2C3CCC(CC3)[C@H]12 238664984
CCCC(=O)CC(=O)N1CCOCC1 526056097
Cn1nccc1C12CC(CN1)C2 1772770456
COC(=O)C1=C(F)CNCC1 1775954898
O=C1CCC(=O)N1c1ccccn1 104018
O=C(O)c1ccc(CO)cc1 135484
O=Cc1cc(CO)ccc1O 1854627
CCCN[C@@H]1CCS(=O)(=O)C1 3866510
COc1ccccc1NCCC(N)=O 3888973
CCOC(=O)Cn1nc(C)cc1N 4298921
O=C(O)O 6827693
C[C@H]1CN(CCCN)C[C@H](C)O1 12505389
COc1cc(CN)ccn1 12505591
COCCNCC1CC1 19093337
CC(C)[C@@H](N)C(=O)N1CCCCC1 19518969
Cc1cc(=O)cc(C2CNC2)[nH]1 19686518
NC[C@@]1(O)CCOc2ccccc21 20398358
CCC[C@@H](N)C(=O)OC 35402152
CON(C)C(=O)[C@@H]1CCOC1 39065317
Cn1nc2c(c1N)CSC2 39136870
CB1NN=C([N+](=O)[O-])c2sccc21 169872795
C=CC(=O)N[C@@]1(C)CCCOC1 235700751
COc1ccc2c(n1)N[C@H](C(=O)O)C2 1535645608
O=C(NC/C=C/Cl)c1cnc[nH]1 1636909344
OCc1cc(C2CCNCC2)no1 1772715652
NC[C@@H]1CC[C@@]12CCCO2 1775954924
CC(C)(C)[C@@H](N)CO 162614
C[C@H]1CCOC1=O 388118
NC(=O)c1ccc(O)cc1O 1690428
CCOC(=O)[C@@H](C)F 2379402
O=C1NCCN1c1nccs1 6119203
O=C1CCC(O)CC1 13542642
CN1CCC2(CC1)NC(=O)N=C2O 19230096
NC(=O)c1cn2ccccc2n1 37388917
CNC[C@@H]1CCCOC1 38045928
CCNC(=O)c1ccc[nH]1 45795752
N[C@@H](CC1CCOCC1)C(=O)O 52172988
C1CC2(CCOCC2)N1 72266680
CNc1cnccc1C(=O)O 84426683
CN1CCCC12CNC2 95643100
O=C(O)c1ccc2cn[nH]c2n1 98091103
N[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 100061102
CO[C@H]1C[C@@H](N)C1 100102956
COc1cccn2c(C(=O)O)nnc12 238379404
O=C(O)c1cc2n(n1)CCCNC2 238636301
CCn1cccnc1=N 334138561
CCOC1(CO)CCC1 521399038
COC[C@@H](N)[C@@]1(O)CCCSC1 958528841
COC(=O)[C@H]1[C@H]2CCCC[C@@H]2[C@H]1N 1775955778
CNC1CCC2(CC1)COCCO2 1875324499
COC[C@@](C)(CO)C[C@@H](C)CO 1577175
NC(=O)[C@H](CO)c1ccccc1 1577588
N[C@H]1CCC[C@@H](C(=O)O)C1 3882829
Sc1nnc([C@H]2CCCO2)[nH]1 12505152
CCC(=O)N1CCC(N)CC1 19093233
CCCNCC(=O)OCC 20056622
CCC[C@H]1SC(N)=NC1=O 26806613
O=C(O)c1csc2nc[nH]c(=O)c12 36226172
NC1CCN(C(=O)C(F)(F)F)CC1 39055216
CCc1ncc[nH]1 84843279
COC(=O)C1(c2cnccn2)CC1 95742929
N[C@@H](CC1CC(F)(F)C1)C(=O)O 117357432
N[C@H](CC1CCCC1)[C@@H](O)C(=O)O 170615433
COC(=O)c1cnsc1 204287854
O=C1C[C@@H]2CCC(=O)[C@@H]2O1 238630335
Cn1cncc1C(=O)NC(C)(C)CF 335751502
C[C@H]1CC[C@@H](N2CCC(=O)CC2)CN1 669382992
COC[C@@H](N)[C@]1(O)CCC(C)(C)C1 958528473
O=C(O)[C@H]1CCC2(CCOCC2)NC1 1857781161
COC(=O)CCC(=O)O 152993
COC(=O)c1ccc(CO)nc1 289111
Cc1cc(C(=O)O)nc(N)n1 1689925
CC(C)OCCOCCOCCO 2517012
O=C1CC2(CCCC2)CC(=O)N1 4031903
Nc1nnc([C@@H]2CCCCN2)s1 4234707
CC(=O)NCC[C@H]1CCCCN1 4312820
Cc1cc(NC(=O)[C@@H]2CCOC2)no1 16623128
Cc1nn(C)c(C)c1CCO 19090604
COCCN1CCC(N)CC1 19388601
CCOC(=O)c1ccc(N)nn1 21304746
CCOC(=O)c1cnc(N)n1C 22000747
O=Cc1cnc(Cl)nc1 22113854
N[C@@H](CO)c1ccc(F)cc1 34384614
CC1(N)CC1 39348465
NCc1c[nH]c(=O)c(Cl)c1 83339690
COC(=O)[C@@H]1CS[C@@H](C(C)C)N1 95221311
CCOC(=O)CC(C)=O 96014346
O=C1[C@@H]2[C@H]3C[C@H]4[C@H]2C(=O)[C@H]2[C@H]1[C@@H]3[C@@H]42 100437730
CCO[S@](=O)CC 113293721
N#CN1CCC[C@H](CO)C1 168168152
COC(=O)[C@@H]1CCCCN1C#N 168225921
CN1C[C@@H](C(=O)O)C(F)(F)C1 213864510
Nc1nc2cc(F)ccn2n1 238608765
COC(=O)c1nnc(C2(C)CC2)o1 261331495
C[C@H](NC(=O)c1cccnc1)[C@@H](C)O 306751156
C=CC(=O)NCC1=CCOCC1 306940838
NC[C@@H](O)c1ccc(O)cc1 558
c1cc[n+]2c(c1)-c1cccc[n+]1CC2 43472
Cc1c(CN)cnn1C 333395
COC(=O)c1nccnc1C(=O)OC 1101990
N[C@H](CC(=O)O)C(F)(F)F 2168540
NC[C@H]1CCCC[C@@H]1O 2517003
Nc1cnc2ccccn2c1=O 2575407
Cc1cc(CN)n(C)n1 4298933
NC(=S)NNc1ccccc1 5933796
Nc1nnc(C2CC2)o1 12804032
FC(F)(F)c1nnc2n1CCNC2 16158473
Sc1ccncn1 16990582
NCCc1noc(C2CC2)n1 19682101
CN1CCN([C@@H]2CCSC2)CC1 22586943
CC(=O)c1cc(C)ncn1 26895340
Cc1cnc(N2CCNCC2)s1 26898768
CC(=O)c1ccnc(N)n1 34099693
Cn1nnc(-c2ccc(N)c(N)c2)n1 39339350
CNC(=O)c1ccc(N)c(F)c1 39434789
CCc1nc(=O)[nH]cc1C 42383879
CC1(O)[C@H]2CC[C@H]1CNC2 118588009
COCc1ccnn1C 169152089
O[C@@H]1CCCN([C@@H]2CCCNC2)C1 223125440
COC(=O)[C@H]1CC[C@H](C(N)=O)CC1 255188459
CCOC(=O)CC(=O)[C@@H]1C[C@H]1F 261508741
C[C@H]1C[C@H](N)CN1CCF 306739676
O=C1CC[C@@H]([C@H](O)C(F)(F)F)CN1 1775955962
CC(C)[C@@H]1CN2C[C@@H](N)C[C@H]2CO1 1800411754
COc1cccc(C(N)=O)c1OC 398787
OCc1ccc(CO)cc1 404295
NC[C@H](O)c1cccs1 1593001
O=C(O)[C@H](O)c1ccccc1F 2525446
CCOC(=O)[C@@H](O)C(F)(F)F 2548173
COC(=O)C1=CC[C@@H]2O[C@@H]2C1 32214307
Nc1ncc(F)s1 34179225
CC1(C)CCC(=O)N1 34925175
NCc1ccc(N2CC[C@H](O)C2)nc1 42783585
COC(=O)[C@@H](N)C(C)C 54954741
NCc1cncc(Cl)n1 85224518
C[C@H](C(=O)O)n1ccnc1 95923565
O=C1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2 196474914
c1nc(N2CCC2)c2[nH]cnc2n1 197371642
O=C1CCC[C@@H](n2nccn2)C1 238589757
OCc1cccc2ncnn12 238727557
O=C1CCC(=O)N(CC2CC2)CC1 252497661
CC1(C)[C@@H](O)N(O)C=C[N+]1=O 334139184
N[C@@H](c1ccsc1)C1(O)CNC1 958527900
COC(=O)c1cncc2c1CC(=O)N2 1537810994
COCc1nc2c(o1)CCNC2 1857782918
COC(=O)c1ccc2n[nH]nc2c1 71469
N[C@@H]1C=CC=C(C(=O)O)C1 968069
COC(=O)c1n[nH]nc1Cl 1235058
CSC(C)=O 2004049
NC(=O)c1cc(N)ccc1F 2243177
O=C(O)CN1CCSCC1 2513804
O=c1[nH]c2ccc(O)cc2c(=O)o1 2569655
O=C(O)[C@H](O)Cc1cccnc1 4899904
Cc1n[nH]c(N)c1Cl 12356776
COC(=O)[C@@H](N)c1ccc(OC)cc1 20247045
C1C[C@@H]2NCCO[C@H]2C1 20262965
OCc1ccnc(F)c1 35570002
CCOC(=O)c1ccnnc1O 39216093
COC(=O)c1cnnc(Cl)c1 40448871
CC(=O)c1cnc(NC#N)nc1C 66324822
CCOC(=O)[C@@H]1CCC(=O)N(C)C1 96032223
COC(=O)[C@H]1CC[C@H](N)CC1 100007356
O[C@H]1C[C@H]2CCCCN2C1 101724924
C[C@H]1C=C[C@@H](C)[C@H]2NC(=O)[C@@H]12 216345690
CO[C@@H]1CCN(c2cncc(N)n2)C1 234775909
O=C(O)CCC12CC(CN1)C2 584883096
N[C@@H](C1CCC1)C1(O)CCOCC1 958528598
CN1CCCN2CCCN=C12 155035
[O-][n+]1ccc(Cl)cc1 407058
C[C@H](CCC(=O)O)CC(=O)O 1589760
O=C(O)CCCNC(=O)C(F)(F)F 1732852
NC[C@H](C(=O)O)C(F)(F)F 2525243
CC1=C2NC(=O)CCN2C=CC1 2527921
CN(C)CN(C)C 19230186
CCC[C@@H]1CNC(=O)C1 34241959
CNC(=O)Cc1cccc(OC)c1 48312890
NC1(CN2CCCC2)CC1 74934379
NC(=O)Cc1ccc(F)cc1F 78759595
COc1ccc(OC)c(C=O)n1 140640535
CO[C@@]1(c2nccn2C)CCNC1 1536219815
CCC1(Cn2ccnn2)COC1 1614994496
O[C@H]1CCN[C@@H]2CC[C@H]12 1857780009
O=c1oc2c(O)cccc2c(O)c1O 18453
Cc1ccc(O)c(CO)n1 152878
O[C@@H]1CN2CCC1CC2 158082
COC(=O)c1cc(O)ccc1N 336007
C[C@@H]1CCCC(=O)N1 5735600
COc1cncc(C(=O)O)c1 8472463
CCc1[nH]ncc1C(=O)O 8700063
COC(=O)CN1CCC(C)CC1 14193624
CN1CCc2n[nH]c(C(=O)O)c2C1 21952946
COC(=O)[C@@H]1CCc2cncn2C1 38973497
C1CO[C@@H](C2CC2)CN1 57218945
O=c1[nH]nc2c(Cl)cccn12 72264983
Nc1c[nH]nc1Br 80499372
C[C@@]12CNC[C@H]1C2 104608265
COC(=O)[C@H]1CCN[C@H](C)C1 107455881
Cn1nc(C(F)F)nc1N 128231468
CC1(C)C[C@H](CO)CCN1 215152195
C/C(=C\C(=O)O)P(=O)(O)O 224988549
C[C@@]12[C@H]3[C@@H]4[C@@H]3[C@H]3[C@@H](O)[C@H]4[C@@H]1[C@H]32 253596333
O=c1ccn(-c2ccncc2)[nH]1 306278178
Cn1ccnc1-c1c[nH]c(=O)cn1 669378751
C[C@@H](N)C1(n2ccnn2)CC1 1775955364
O=C(O)Cc1ccccc1CC(=O)O 388203
C[C@]1(c2ccccc2)CC(=O)NC1=O 404264
Nc1ccnc(Cl)n1 1595944
CN(C)C[C@@H]1CC[C@@H](CN(C)C)C1=O 1670752
O=C1CC(C(=O)O)C1 4228181
CC(C)(C)[C@@H](N)CC(=O)O 4262585
COC(=O)c1ccnnc1 12359421
Cn1nc2c(c1N)CCC2 12504958
CCOC(=O)c1ncoc1COC 43304321
NCc1cccc2ccnn12 66354402
CC(=O)c1cnc(C)nc1 82410876
O=S1(=O)C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 100991092
CC(=O)[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C 103677193
COCc1cc(O)n(C)n1 116396554
OCc1nccc2c1OCCO2 145222512
C1CCN2C[C@H](c3nn[nH]n3)C[C@H]2C1 521396185
C[C@@H]1C[C@@H](CN)CCS1(=O)=O 1772716933
CN(C)CC(C)(C)CO 1596206
Nc1cc(=S)[nH]c(N)n1 2141058
C[C@H](CN)CCCN 2560382
O=C(O)CC[C@@H]1CCC(=O)N1 4046417
CCNCCNCC 19366278
NC1(CN2CCOCC2)CCCCC1 19727532
CN1C(=O)Cc2cc(O)ccc21 32501222
Cc1ccc(CO)nc1 35570290
Cc1cc2c(cc1N)C(=O)NC2=O 49584998
CCOc1nccnc1C(=O)O 54552782
Cc1nccnc1[S@@](C)=O 66322745
CC1(O)CC(C(=O)O)C1 77028573
FC1(F)C[C@@H]2CNC[C@@H]21 91305859
OCc1ccn(-c2ccc(F)cn2)n1 144652709
CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 261361485
COC(=O)N1C[C@H]2CC[C@H]1[C@H](N)C2 306384657
O=C(O)c1ncc([C@H]2CCOC2)cn1 675069996
C[C@@](N)(CC(=O)O)C(F)F 686862287
C1=C[C@H]2COC[C@H]2NC1 1772715692
C=CC(=O)NCC[C@@H]1COCCO1 1875367851
COc1ccc(C(=O)O)c(OC)n1 389808
CC(=O)CCCOC(C)=O 1587833
CC(C)S(=O)(=O)O 1680418
O=C(O)CNC1CCCCC1 1734295
COC(=O)[C@@H](CO)c1ccccc1 2045519
CN1C(=O)COc2cc(N)ccc21 3884427
COC(=O)c1ncccn1 4099279
NCc1cccc(C(=O)O)c1 4202416
CC(=O)C1CCN(C)CC1 5601891
CN1CCC(O)(c2cccnc2)CC1 6273989
C[C@H](OC(C)(C)C)[C@@H](N)C(=O)O 8575909
Oc1cccnc1O 12243851
CCc1noc(CN)n1 19088028
CNC(=O)c1ccc(CN)cc1 20282339
COc1nc(OC)c2[nH]ccc2n1 33835391
CC[C@H](N)c1nc(C)no1 35411468
OC1(c2ccccc2)CNC1 38915951
COC(=O)c1ccc(N)c(C=O)c1 66325577
C=CC(=O)NCCC(=O)NCC(C)C 158569494
CNC(=O)c1ccc(CC(=O)O)cc1 220777414
Cn1ccnc1[C@H]1C[C@H](N)CCO1 299805188
COC[C@@]1(N)COc2ccccc2C1 306195170
COC(=O)[C@@]1(CN)C[C@H]1C1CC1 601014760
C=CC(=O)NC[C@@H]1CC(C2CC2)=NO1 1875368360
N[C@@H](Cc1ccsc1)C(=O)O 334439
CC(=O)OC1CCC(O)CC1 398362
CCCCOC(N)=O 1555339
CNC(=S)N(C)C 1564460
CCNc1nncs1 1680369
CC1=NCCCCN1 3124797
Cc1ccc(C[C@@H](N)C(=O)O)c(O)c1 4796110
O=C1Nc2cc(O)ccc2C1=O 14455608
O=Cc1cnc2n1CCC2 16124516
C[C@H]1CN(C[C@@H]2CCCN2)C[C@@H](C)O1 20071729
CC(C)CN1CCNC[C@H]1CCO 23093894
N[C@@H]1CCN(C2CC2)C1 31996438
CC(=O)[C@H]1NCCS1 33605538
CCc1n[nH]c(O)c1CCN 34792378
CCOC(=O)[C@H](N)C(F)(F)F 43464572
COC(=O)[C@@H]1CS[C@H](C(C)C)N1 95221310
CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 101365644
COCc1cc(C(=O)O)on1 113429679
COC(=O)C1C[C@H](C)N[C@@H](C)C1 197532475
Cc1c(N)cccc1-n1cn[nH]c1=O 225395280
C[C@@H]1C[C@@]2(CCO1)CNC[C@@H](C)O2 238860540
O[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]2S[C@@H]2[C@@H]1[C@@H]3[C@@H]24 247715193
N[C@@H](C1CC1)C1(O)CCSCC1 958528264
CN(C)CCCCO 1648980
CNC1=N[C@@H]2CCCC[C@H]2O1 1694107
O=C1NC[C@H](C(F)(F)F)C(=O)N1 2584295
O=C(O)CC[C@H]1CCC(=O)N1 4046420
CC1(C)OC[C@H](CN)O1 4716345
O[C@@H]1CCCO1 5134655
Cc1[nH]cnc1CO 6645459
Cc1noc(CCC(=O)O)n1 12505439
CCOC(=O)[C@H](N)CC 13346971
CCc1nc(CN)no1 14628920
COCC[C@H]1CNCCO1 19090941
CC[C@H]1CNC(=O)C1 19091884
CCN(CC)OCCC(=O)O 45069038
OC1(C(F)(F)F)CC2(CNC2)C1 57218918
O=c1ccc2ccc(=O)oc2[nH]1 71774134
c1ccc(CCNC2=NCCN2)nc1 96026929
COC(=O)c1ccc(=O)n2c1NCC2 100027353
FC1[C@H]2CC[C@H]1CNC2 103531768
COC[C@@]1(C(=O)O)CCCNC1 160587339
N[C@@H](CC1CCCC1)[C@@H](O)C(=O)O 170615432
C[C@H]1CN(C)C(=O)CC1=O 196536962
C[C@]1(CF)CCNC1 197134210
Cc1oc(=O)ccc1C(=O)O 214457660
COC(=O)[C@H]1CNC[C@@H]1C(F)F 238333230
CCOC(=O)[C@@H](F)[C@H]1CCNC1 260944079
NC12CC(Cl)(C1)C2 642813701
CC(C)(C)[C@@H]1C[C@@](C)(O)C(=O)N1 1857780614
CNC(=O)Cc1nc2ccccc2[nH]1 290077
COC(=O)CCCCCN 2168183
CC[C@H](C)NC(C)=O 3163200
c1cnc2c(c1)CNC2 4203917
C[C@@H](CC(=O)O)N(C)C 13347096
CS(=O)(=O)Nc1ncccc1O 21953365
C[C@H]1CN(CCO)C[C@H](C)O1 25623964
c1nc2c(s1)CNCC2 36140939
NCC[C@H](O)C(F)(F)F 37179501
CCOC(=O)c1oc(N)nc1C 38537247
C[C@@H]1COC[C@@H]1CO 66054516
CN1C(=O)CO[C@H]2CCCC[C@@H]21 95707333
OC[C@H]1CCc2nccn2C1 116886647
CC(C)(CN1C(=O)C=CC1=O)C(=O)O 167900595
CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1 225473144
CC(C)C(=O)NC[C@@]1(C)CCNC1 238195422
C[C@@H]1C[C@@H](O)c2nccn21 238855248
O[C@H]1C[C@@H]2[C@@H]3[C@H]4[C@@H]5C[C@H](O)[C@@H]([C@H]14)[C@H]2[C@@H]35 247854414
N[C@H]1C[C@@H]2CC[C@H](C1)O2 253496151
CCOC(=O)[C@@H]1CC(C)=NNC1=O 306147551
COC(=O)[C@]1(C)C[C@@H](N)CCO1 642885469
NNCCCCCCCCNN 1535645623
CC[C@@H](CO)NC1=NCCN1CC 1776003766
N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](O)(C2)C3 1857775558
CC[C@H](C)[C@H](NC)C(=O)O 163151
NCCc1cccc(N)c1 2547903
COc1ncc(C)c(OC)n1 2573532
CC1CCN(C(=O)[C@@H]2CCCN2)CC1 4298632
N[C@H](CO)c1ccccc1 6116207
O=C(O)c1ccsn1 12958089
O=c1[nH]cnc2ccccc12 17970819
CN1CCN(CC2CCNCC2)CC1 19442263
Cn1ccnc1C(=O)O 19735770
CN1CC[C@H](CC(=O)O)C1 20438834
CO[C@H](C)[C@@H](C)O 32210940
CCc1cnc(N)cn1 37597631
O=C(O)c1cnn2ccncc12 40435255
O=CNc1ccc(CCOC=O)cc1 44126918
O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 82844125
CCOC1CC(N)C1 84450761
CC(F)(F)c1noc(CN)n1 401186847
CCc1c(C)nn2c1CNCC2 1857783884
C=CC(=O)N1CC[C@@H](C)C[C@H]1C(N)=O 1875366613
Cc1cc(C)n2nc(N)c(N)c2n1 201619
COc1cc(C(N)=O)cc(OC)c1O 393800
c1ccc(C2=NCCN2)nc1 1595963
O=Cc1cnc2ncccn12 1663366
O=C1NC(=O)[C@H](c2cccc(O)c2)N1 1667940
NNc1cccc(S(=O)(=O)O)c1 1847712
O=Cc1c[nH]c2nccnc12 6599358
Nc1cc(F)nc(F)c1 16159832
C[C@H](CC(=O)O)N1CCCC1 19092230
O=C(NC1CC1)C1CCNCC1 19408510
NNc1cccnc1 19737047
NCc1cnco1 20417399
CC(=O)N[C@H](C)c1cn(C)nc1C 20785533
CN(C)[C@@H](CN)c1ccccn1 23093905
COc1ccccc1C[C@@H](O)CO 34529600
C[C@H](N)CNC(=O)OC(C)(C)C 35287404
CC[C@@H]1CCC(=O)N1 39477961
O=C1Cc2cc(O)cnc2N1 44712772
C[C@@H](CCO)n1ccnc1 78691208
Cc1nc(CO)cn1C 114722074
COC1(CO)CCC1 137749340
COC(=O)c1cc(CO)ccc1OC 141048904
N[C@]1(C(F)(F)F)CCNC1 220739670
C[C@@H]1N[C@@H](C(=O)O)CC[C@H]1C 307112418
COC(=O)[C@H]1[C@H]2CCCC[C@H]2[C@H]1N 1775955777
N[C@@H]1C[C@H](C(=O)O)C12CCC2 1857780197
O=C1C[C@H](c2ccccc2)NC(=O)N1 197407
CSc1nc(N)cc(=O)n1C 332674
CCOC(=O)c1c[nH]nc1C 3848345
CC[C@@H](N)Cn1ccnc1 4226688
Cc1nccn1CCN 4453804
Nc1ccc(N)c(C(=O)O)c1 4880181
OCc1cocc1CO 5783858
NC(=O)c1ccnc2[nH]ccc12 19046426
CC[C@H](C(=O)O)N(C)CC 19092809
CN1CCC[C@H](CCN)C1 20439789
C1CC(C2COC2)CCN1 23890759
O=C(O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 38886872
NC1=NN(c2cccc(F)c2)C(=O)C1 82530667
NC1(Cc2ccccc2)COC1 82850705
C[C@H]1CNC[C@@H](C)[C@@H]1O 242722832
C[C@@H](NC1(C(N)=O)CC1)[C@@H]1CC12CC2 888095664
O=C(O)CCC(=O)Nc1cccnc1 72895
C=CC(=O)OC[C@H]1CO1 1608905
CCCOC(=O)CC(C)=O 1675673
COC(=O)CP(=O)(OC)OC 1736750
O=C(O)CCc1cc(O)no1 3883045
Nc1cc(CO)cc(CO)c1 14985598
CCN1C[C@H](C(=O)O)CCC1=O 15635602
c1coc(CN2CCNCC2)c1 19735430
C[C@@H](NCc1cccnc1)C(=O)O 21952447
CCOC(=O)[C@H]1CCCO1 21999889
NCc1ccc(F)nc1 35570030
C[C@@H]1CCOCC[C@H]1OC=O 43761630
CCNC(=O)NC(=O)c1cccnc1 71773843
CC1=NN(c2ccccc2)C(=O)[C@@H]1N 100165671
CCOC(=O)C(=O)[C@@H]1CCCCN1 216643580
O=C(O)CC1(CO)CCC1 238696264
COC(=O)[C@@H]1[C@@H]2CC[C@H]2[C@H]1C(=O)OC 247823051
Cn1nccc1[C@@]12CCOC[C@H]1O2 536947994
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 1857780624
NNc1ccc(C(=O)O)cc1 157417
Nc1ccc(F)nc1 335086
CNc1ncnc2[nH]cnc12 391197
C[C@@H]1CC(C)(C)C(=O)N1 402324
N[C@H](C(=O)O)c1cc(O)cc(O)c1 968043
CCOC(=O)c1cc(N)c[nH]1 1705037
CC1(C)C[C@](C)(O)NC1=O 1721081
C[C@H]1CN(CC(=O)O)C[C@@H](C)O1 4502677
c1coc(C2=NCCN2)c1 4992560
NC(=O)c1ccc2nccn2c1 13207464
CNC[C@H](C)OC 13568037
O=C1CCN(c2cnccn2)CC1 19431771
COC(=O)[C@H]1CCCC[C@@H]1N 20216343
CCNCc1ncc[nH]1 22861352
C[C@@H]1CN(CCO)C[C@@H](C)O1 25623942
N[C@H](CO)c1ccccn1 39050026
CC1(C)C[C@@H](O)CCN1 71186832
CC(C)c1cnc2nc(N)nn2c1 75567446
CCOCC1(O)CCNCC1 83823921
C1CNC[C@]2(C1)CCO2 85221610
COC(=O)c1cc(OC)n(C)n1 113917325
N[C@@H](CC1CCCC1)[C@H](O)C(=O)O 170615430
O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12 254797804
C[C@H](O)CN1CCC=C(F)C1 334567053
CCC1(N2CCOCC2)CCNCC1 536948675
CC1(C)C(=O)C(C)(C)C1O 393008
CO[C@@H]1CCCC[C@@H]1O 403381
CCOC(=O)[C@@H]1O[C@H]1C 2016530
Cc1ccccc1S(N)(=O)=O 2567980
COc1ccccc1OC[C@H](O)CN 4299046
Cc1cc(=O)[nH]c(N2CCCC2)n1 8648768
Cc1ccnn1C[C@H](C)CN 12357757
O=c1cc(C2CC2)nc[nH]1 18899217
Cc1cnn(-c2cnn(CCO)c2)c1 65430635
CC1(C)[C@H]2CNC[C@H]21 68577535
CN1CCC[C@H]2CNC[C@H]21 78131120
Cc1ncnc(C(=O)O)c1C 82407857
OCc1cnn(-c2ccccn2)c1 95919780
CCOC(=O)c1ccc(NC)nn1 150123347
CN1C(=O)CC[C@@H]2CNCC[C@@H]21 161634109
O=C(O)C12C3[C@H]4C5CC([C@H]41)[C@@H]2[C@H]53 216358495
CC12CC(C(N)=O)(C1)C2 223537522
O=C(O)[C@@H]1[C@@H](C(=O)S)[C@H]2C=C[C@H]1C2 226511292
O=Cc1cnnn1C1CC1 258547985
Nc1ncc2c(n1)COCC2 258646775
OC[C@H]1C=CCN1C/C=C/Cl 880483228
NC(=O)C[C@@H]1CC[C@@H]2CNCC[C@@H]2C1 1772795106
CO[C@@H]1[C@@H](N)COC12CCC2 1857783369
O=C(O)CCN1CCCCC1 265638
CNC(=O)c1cccnc1 404444
COC(OC)N(C)C 19230155
c1cc([C@@H]2CCCNC2)ncn1 19686350
COC(=O)c1ccnc(Cl)n1 34936285
OCc1ncc(Br)cn1 39121235
C[C@H](N)c1nnc(N)s1 42384386
C[C@@H](O)C1CCOCC1 68890774
COc1cc([C@H](N)C(=O)O)ccc1F 72191143
Nc1cc(Cl)ncc1CO 82049728
Cn1ccnc1[C@H]1CCCNC1 82522686
O=C(O)[C@H]1CCNC[C@H]1C(F)(F)F 82909820
CCOC(=O)c1scnc1CO 91692608
COc1cccc(C2=NNC(=O)C2)c1 100322594
OC(O)CCC(F)(F)F 138763158
N[C@@H]1Cc2ccc(C(=O)O)cc2C1 140907870
CCOC(=O)[C@]1(C)CCCNC1=O 196109274
O=C1N[C@@H]2[C@@H]1[C@H]1C=CC=C[C@H]2C1 230110277
Nc1nc(Cl)ncc1CO 238653447
BrC1=NO[C@@H]2CNC[C@@H]12 253623239
O=C(O)c1cccc(C=NNO)c1 257353565
OC1CC2(CCCNC2)C1 606302268
CC(C)[C@H](C)C(=O)N1CCC(=O)N1 675070047
CC(C)[C@H](N)[C@@]1(O)CCOC1(C)C 958527709
O=C(O)C1CCNCC1 156973
CS(=O)(=O)NCc1cccnc1 361852
COc1cc(OC)ncn1 730492
O=C(O)C[C@H](O)C(F)(F)F 2046191
O=Cc1ccc(OCCO)cc1 2556832
C[C@@H]1CNC(C)(C)CO1 11950126
Cn1cc(Br)c(CO)n1 12370764
CSc1ncc(CN)n1C 21953282
O[C@H]1C=C[C@@H]2CC[C@@H]21 43761643
COC(=O)N(C)[C@H](C)C(=O)O 54052955
O=C(O)[C@@H]1CCNC[C@H]1F 76577306
Cn1nc(C(=O)O)c2cc(N)ccc21 169805347
C[C@H](CO)[C@@H](C)N(C)C 228752094
C=CC(=O)Nc1ccc2ncnn2c1 863970680
C[C@](O)(C(=N)NO)C(F)(F)F 958527992
N[C@H](C(=O)O)c1ccccc1 154475
OCCn1nnc(-c2ccccc2)n1 340445
Cc1n[n+]2cccnc2s1 391038
CCO[C@@H](C)CCO 393342
O=C(O)[C@H](O)c1ccc(O)cc1 395645
O[C@@H]1Cc2ccccc2[C@H]1O 2037698
CC(C)(C)N1C(=O)C=CC1=O 2556981
Cc1nn(C)c(C)c1[C@@H](N)C(=O)O 4207340
CCCCNC(=O)[C@H](C)N 11957321
COC(=O)C1=CCNCC1 14724547
CNC[C@@H]1CCCCO1 15635417
CCN(C)[C@@H](C)CO 19092671
Nc1nc(-c2ccc(O)cc2)n[nH]1 19277137
CC(C)CNCCN1CCOCC1 19954029
Nc1nc2ncccc2o1 20136404
Cc1cnn(C[C@H](C)C(=O)O)c1 37677033
NC1(c2cnccn2)CC1 54404889
OCc1cnc(Cl)nc1 72267037
C[C@@H]1CCNC[C@H]1F 95218378
OC1C[C@H]2C[C@@H]2C1 100037434
CNC(=O)c1ccncc1NC 157951685
CC(=O)N1C[C@H](C)OC1=O 196866531
NC[C@]1(C(=O)O)CC12CCOCC2 213195487
O=C(O)[C@@H]1CC[C@@H]2OCCN[C@H]2C1 259923334
CC1=C(C)[N+](=O)C(C)(C)[C@@H](O)N1O 334139182
OC1(c2ncc[nH]2)CCC1 757122667
CC[C@@H](N)C1(O)CCOCC1 958528094
C[C@@H]1NCCN[C@@H]1C(F)(F)F 1772799669
C=CC(=O)N1CC[C@@H](n2ccnc2)C1 2325898862
OCc1ccc(-n2cncn2)cc1 158903
Cc1cc(N)cc[n+]1[O-] 331892
NNc1ccccc1 388099
CCC12COC(OC1)OC2 1696092
Cn1sccc1=O 1849933
CCSc1n[nH]c(N)n1 1939756
CC(=O)NC1CCC(=O)CC1 2510356
CCOC(=O)CNC(=O)c1ccco1 2568854
CCOC(=O)[C@@H]1CCC[C@@H]1N 2570069
C1CCN(C[C@@H]2CNCCO2)CC1 4129030
Cc1[nH]cnc1C=O 4807266
NC[C@@H]1CCCC[C@@H]1N 5842565
COC(=O)Cn1nc2ccccc2n1 5914597
COC(=O)c1ccn(C(C)=O)c1 15446246
CNCc1nnc(C)o1 19093448
C[C@@H](CCN)N1CCCC1 19673612
CCC1(C(=O)NC)CCNCC1 62847515
OCC1(F)CCNCC1 79017081
CN1[C@H]2CC[C@H]1CC(N)C2 100000530
N[C@H]1CC[C@H](C(=O)O)CC1 100004961
N#CN1CCC2(CC1)OCCO2 145802965
CC(C)(O)[C@@H](F)CN 149560160
COC(=O)C12CCC(C(=O)O)(C1)C2 196704036
CC(=O)O[C@H]1C(=O)O[C@@H]2C=CC[C@@H]21 214483111
CN(C)CCCN1CCN(C)C1=O 259229238
O=C1C[C@@H](O)CC2(CCC2)N1 299805642
c1nncn1C[C@H]1CNCC12CCC2 693699556
N[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)O 1857778947
CC(C)(C)[C@H]1C[C@](C)(O)C(=O)N1 1857780615
O=C(O)c1ccc(F)cn1 2599027
Cc1[nH]cnc1CCN 3605034
O=C1CN(Cc2ccccc2)CCN1 3880918
c1cncc([C@@H]2COCCN2)c1 15020771
COC(=O)c1ncccc1OC 15446213
COC(=O)N[C@@H](C(=O)O)C(C)C 19815890
CCC1=NO[C@H](C(=O)OC)C1 34122924
CN1CC2(CCNCC2)OC1=O 38523161
C[C@H]1[C@H](N)C2CCN1CC2 39078636
CC1=NNC(=O)[C@@H](O)C12CCC2 66055247
C[C@@H]1CNCCC[C@@H]1O 76572428
Cn1ncc2cc(N)cnc21 82408754
C[C@@H]1C[C@H](C(=O)O)CCN1 82409497
CCOC(=O)c1c(Cl)n[nH]c1N 91692838
NC(=O)C12CC3C[C@@H](C1)C(=O)[C@@H](C3)C2 100146459
O=C(O)[C@@H]1NCC[C@H]2C[C@H]21 211742581
C=CC(=O)N1CCC[C@@H]2COC[C@@H]21 690367009
C[C@H](O)/C=C/c1cccc[n+]1C 161851
CNCc1ccncc1 161991
CC[C@@H](C)[C@@H](NC)C(=O)O 163154
CCN(CC)C[C@H](C)O 404358
O=C(O)c1csnn1 967389
N[C@H](Cc1ccco1)C(=O)O 2385769
CC(=O)N[C@@H](CO)c1ccccc1 2391134
NC(=S)c1cncnc1 2546144
NC(=O)CCNc1ccccc1N 5799720
CN1CC=C(CO)CC1 5966256
O=C(O)[C@@H]1CCCOC1 12363034
OCc1cccnc1CO 19721410
NCC(=O)OCc1ccccc1 34676246
Cc1n[nH]c(C)c1CO 37461728
CC1(O)CCOCC1 39212281
COC(=N)c1ccc[nH]c1=O 40451287
CCOC(=O)c1cncn1C 42684228
CCCOC1CNC1 44137170
FC(F)[C@H]1CCNC1 72295230
CC[C@H]1N[C@@H](C(=O)OC)CS1 95221308
CC(C)(C)OC(=O)N1C[C@@H]2C(N)[C@H]2C1 100005216
CNC(=O)NC[C@@H]1CCCCN1 125166448
COc1ccc2[nH]c(=O)ccc2n1 149670550
CS(=O)(=O)c1cccc(F)n1 202827740
C[C@@H]([C@@H]1CCNC1)N1CCOCC1 238431164
CCOC(=O)c1nc(N)[nH]c1Cl 260955048
COC(=O)C12CC(C)(CN1)C2 575493118
CC1(C)CC[C@@H](O)CN1 1772718139
NC(=O)NCc1cccs1 90725
O=Cc1ccccc1OCC(=O)O 562681
NC(=O)c1cccc(O)c1 1590754
CC[C@@H](C)N[C@H]1CCS(=O)(=O)C1 3866508
O=C(O)Cc1occc1C(=O)O 4759560
CCC[C@H](NC(C)=O)C(=O)O 4763049
O=C(O)C1CCN(C2CC2)CC1 8699141
O=C(O)[C@@H]1C=CCO1 12649728
OC[C@H]1CC=CC[C@H]1CO 17106837
CNCC1CCN(CCOC)CC1 19088932
N[C@@H]1C[C@H]1F 19616157
CC[C@@H](C)N1CCNCC1 19735214
O=C(O)[C@H]1C[C@@H]1F 34268626
Nc1nncn1Cc1ccccc1 34411564
O=c1[nH]cnn2cccc12 38665143
COC(=O)[C@@H]1CCCNCC1 39088012
CC(C)OC(=O)N1CCNCC1 39113840
CNc1cnn(C)c1 62796692
Cc1cc(F)cnc1CN 95616405
CC(=O)c1nc(Cl)cnc1N 95762195
CCOC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1C 101052810
CN(C)C1(CO)CC1 125876700
C=CC(=O)NC[C@@]1(OC)CCOC1 158997041
N[C@H]([C@@H]1CCCNC1)C(F)(F)F 238608407
O[C@H]1[C@@H]2C[C@@H]3[C@@H]4C[C@H]2[C@H]([C@@H]4O)[C@H]13 254683404
O=C(O)C[C@@H]1CNCC2(CCC2)O1 1772799675
O=C(O)c1cnc2ncnc(O)c2c1 1857779467
COC(=O)[C@@H]1OC(C)(C)O[C@H]1C 391135
COc1coc(/C=C/C(=O)O)cc1=O 480697
O=C1CC(=O)OC2(CCCC2)O1 3882283
NC[C@@H]1CC(=O)N(c2ccccc2)C1 6096778
CC1([C@@H](N)C(=O)O)CC1 13354840
N[C@H](C(=O)NC1CC1)c1ccccc1 34717603
O=C(O)COc1cccc(C(=O)O)c1 39310628
CCc1cc(=O)n(N)c(=S)[nH]1 40450102
COC(=O)CN(C)c1ccccn1 48322226
N[C@H](CO)c1ccncc1Cl 74309835
O=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 100233180
NCCn1ccn2nccc12 137680208
CNCC1(F)CC1 211589066
NC(=O)[C@H]1Cc2cc(N)ccc2O1 238569286
C[C@@H]1N[C@H](C)CC[C@@H]1C(=O)O 306417304
CC(=O)O[C@H]1CNCCC1(F)F 306934300
C=CC(=O)N[C@@H]1CO[C@@H](C)C1 402234511
CCOC(=O)CC12CC(N)(C1)C2 585669976
C[C@@](O)(C(=N)NO)C(F)(F)F 958527985
O=C1CNc2cc(C(=O)O)cnc2N1 1535645004
COC(=O)[C@H]1COC(C)(C)O1 389654
CC(C)(C)NC(N)=O 397497
COC(=O)NC(=O)[C@H]1CCCCC1=O 406281
C[C@](N)(C(=O)O)C1CC1 1671079
CCC1(CC)NC(=O)NC1=O 1692914
C[C@H]1CN(C)CCC1=O 2145025
CC(C)(C)[C@H](O)C(=O)O 4975727
c1cnc(-c2cnccn2)cn1 6119126
COC(=O)[C@H](N)Cc1ccccc1 19720118
C1CCN([C@H]2CCNC2)C1 20135934
CC(C)(C)OC(=O)N1C[C@@H]2N[C@@H]2C1 76628761
Nc1ccccc1N1CC(C(=O)O)C1 95494853
CN1[C@H]2CC[C@@H]1C[C@H](O)C2 100007346
CN[C@H]1CC[C@@H](O)CC1 100007653
CNc1nc(CO)cs1 307098504
O[C@@H]1CCN([C@@H]2CC[C@H]3CNC[C@H]32)C1 585672773
C=CC(=O)NC[C@H](OC)[C@@H]1CCOC1 1335860376
C1C[N@]2C(C3CC3)[N@@]2C1 1857524898
OCCn1ccnc1-c1nccs1 1875245346
NC[C@H](O)Cc1ccccc1 2529132
OCc1cccc2c1OCCO2 4271832
c1ccc(Cc2nnn[nH]2)cc1 4293850
CCOC[C@H]1CCCN1 12955270
CCOC(=O)N1CCCNCC1 19386449
c1ccc(CN2CCOCC2)nc1 19899033
CC(C)(O)CCN 26896713
C[C@H](CO)C1CCNCC1 42384146
COC(=O)C[C@H](N)C(C)(C)C 44139041
C[C@H]1CNC(=O)N(C)C1 49584973
C[C@@H]1C[C@H](F)CN1 107263023
CCO[C@@H]1OC(=O)[C@H](C)S1 196238922
CC(C)C(=O)N1CC[C@]2(CCCN2)C1 211337935
N[C@@H]1CCC(F)(F)[C@H]1O 720714402
CC(C)(C)[C@H](N)C1(O)CCNCC1 958528763
CN1CCNCCC12CCOCC2 1535538950
Cc1ccccc1OCC(N)=O 142308
CCN1CCC(N2CCOCC2)CC1 280483
C/C=C/C(=O)OC 1561844
Cc1ccc(C(=O)O)c(N)n1 2585538
CCCC(=O)CC(=O)OC 5227173
CC(C)CC(=O)N1CCC[C@@H](N)C1 20468447
O=Cc1cccc(C(=O)O)n1 34215766
CN(C)[C@H]1CCC/C=C\C(=O)NC1 43214863
CC1=CCS1(=O)=O 45069573
N[C@H]1CCOC2(CCOCC2)C1 67425200
N[C@@H](CO)c1cc(F)cc(F)c1 72197365
NC(=O)c1cnc(Cl)nc1Cl 77028099
CC[C@H]1N[C@H](C(=O)OC)CS1 95221304
N[C@@H]1CC[C@H]2CCCN2C1 116878219
Cc1cc(N)cc(C(N)=O)c1 125087155
C[C@H]1CC[C@@H](N)CN1 141178622
c1cn([C@@H]2CCCNCC2)nn1 224939193
O=C(O)[C@H]1CC2(CCCCC2)C(=O)N1 238642597
CC1(C)OC[C@@H]2C[C@@]21N 521398931
C[C@@H]1CC[C@@H](N2CCNC[C@H]2C)CN1 669382547
C=CC(=O)N[C@H]1Cc2ccncc2C1 1615051216
O[C@@H]1NCCC[C@@H]1F 1875308664
Cc1n[nH]c(C)c1CN 64910
COC(=O)c1cnccn1 157407
Clc1ccnc(N2CCOCC2)n1 343424
CN1CCC(N)CC1 1529080
C=CC(=O)OCCN(C)C 1577266
Cc1ccn(CCCN)n1 2390455
CC(C)N1C[C@H](CO)CC1=O 11893160
COC(=O)/C=C\C=C/C(=O)O 13536772
CC(C)[S@](=O)O 15444459
Nc1ccc2nccn2c1 18555973
COCCCn1cnnc1[C@@H](C)N 19090555
C[C@H]1NCCN2CCC[C@H]12 22594464
O=C(O)C1(F)CCOCC1 32915128
O=C(O)C1(F)CC1 33961344
CNC(=O)c1sccc1N 39065093
NCc1ccc(N2CC[C@@H](O)C2)nc1 42783586
CCC(=O)NC(C)(C)C(=O)OC 70226201
COC(=O)c1cc2cn[nH]c2cn1 95628555
OC1CN(c2cc(Cl)ncn2)C1 114096994
C[C@@]1(C2CC2)N=C(S)NC1=O 133312888
CC(=O)O[C@@H]1CCCN(C(C)=O)C1 201739879
CCC[C@@]1(C(=O)NC)CCCN1 233319695
CC(C)(C)n1cccc(C(N)=O)c1=O 238923907
OC[C@@]12CCNC[C@@H]1C2(F)F 307387750
CCO[C@H]1CCN[C@H]1C 601012360
CC[C@@H](N)[C@]1(O)CN2CCC1CC2 958527581
Cc1cc(N)ccn1 139435
COC[C@H]1CCCN1C=O 388701
CC(=O)O[C@@H]1CN2CCC1CC2 492792
CC(C)(C)OCCN 2507600
CCCn1ccc(N)n1 2537951
CC(C)(C)OC(=O)NCCCN 2557991
COC(=O)[C@H]1CC[C@H](C(=O)OC)C1 3639441
CCN(CC)C[C@H](O)CC(=O)O 4831675
Oc1cn[nH]c1 6091387
COc1ccnc(N)c1 6643273
CCOC(=O)C(=O)CC(=O)C(C)C 12539055
O[C@@H]1CCN[C@H](C2CC2)C1 18879304
NCC1(CO)CCCC1 19091065
O=C(O)[C@H]1NCc2ccccc21 26896687
CCOc1ccc[nH]c1=O 36223289
O=C(N1CCC[C@@H](O)C1)C(F)(F)F 38003867
COC(=O)C[C@H](N)C(C)C 44139022
COC(=O)C1=CC[C@@H]2CC[C@H]1N2C 53223985
NNc1ccc(CC(N)=O)cc1 59393499
c1cn2[n+](c1)CCC2 74934376
NNc1nc(Cl)ncc1F 75772050
CNC[C@@H]1CCCN1C 85588039
COC(=O)[C@@H]1CCN[C@H](C)C1 95743130
CC(C)C[C@H](N)C(=O)[C@@]1(C)CO1 113080877
N#CN1CCCC[C@@H]1CCO 168159587
O=C1O[C@@H]2C=C[C@H](O)[C@@H]3CC=C[C@@H]1[C@@H]23 216298447
COCc1ccc(=O)n(C)c1 221393512
O=C1N[C@H]([C@@H]2CCCO2)C12CCC2 225513660
OCc1cc2cccnn2c1 238682009
O=C(O)c1cn(CC(F)F)cn1 300719352
CCc1n[nH]cc1N1CCNC[C@H]1C 685948345
Cc1n[nH]c(C)c1N 39481
Cn1cnc2nc3n(c2c1=O)CCC3 208885
COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC 389692
COC(=O)CCSC 1707856
CC(C)CC(=O)N1CCNCC1 2578523
Cc1cc(O)cc(=O)o1 4273393
CCC(=O)NC[C@H]1CCCNC1 4312804
O=C(O)c1ccc(-n2cnnc2)cc1 4343291
CC(=O)O[C@H]1C=C[C@@H](O)C1 4521100
CCCC[S@](=O)C[C@H](O)COC 4948605
C[S@](=O)Cn1nnc2ccccc21 5530361
Cc1ccc(N)nc1N 6071281
COCCn1ccc(C(=O)OC)n1 12396245
CCc1c(C)nc(NC#N)[nH]c1=O 16884249
CN(C)C[C@H]1CCCCN1 19365274
COC(=O)CC[C@@H]1CCC(=O)N1 27557279
CCS(=O)(=O)C1CCNCC1 58256137
C=CC(=O)NCN(CC)CC 96026607
CN1CC(C(N)=S)=C(N)C1(C)C 101101010
COCCOC1CCC(O)CC1 128491310
C[C@H](N)CCC(=O)N[C@@H](C)CCO 133262378
O[C@@H]1C2C[C@@H]3C[C@H](C2)CN1C3 196228056
CCOC(=O)c1n[nH]c2c1CNC2 204381738
O=C1N[C@H]2C[C@H]1[C@H]1C[C@@H]21 212109799
N[C@@H]1COC[C@@H]1Oc1ccccc1 218679044
CC(C)NC(=O)N[C@@H]1CC[C@@H](N)C1 259247901
N[C@]1(c2ncccn2)CCOC1 306540637
OCC12CC(CO1)C2 536949972
CN(C)C[C@H]1C[C@@H]2CNC[C@@H]2C1 601012345
O=C(O)C[C@@H]1CNC2(CCC2)CO1 1772716192
O=C(O)COCC12CCN(CC1)CC2 1775987941
C=CC(=O)N=c1cc(CC)o[nH]1 1875366013
Cc1nc(C)c(CC(N)=O)s1 332849
CC[C@H](C)NC=O 396312
Cc1nnsc1C(=O)O 1235059
O=C(O)c1ncco1 2527143
O=c1[nH]c(=S)[nH]c2[nH]ncc12 4353299
CCOC(=O)[C@H]1CSCC1=O 5208282
CC(=O)NC[C@H]1CCCNC1 6856976
COC(=O)c1ccc(CN)cc1 7370593
Cc1cc(CO)on1 12370187
CCN(C)[C@H](C)C(=O)O 19092445
CCOC(=O)c1cc(C(=O)O)ccn1 34478052
CC(C)N1CCC[C@H]1C(=O)O 35300811
CONC(=O)c1ccccc1 39213149
O[C@@H]1C=C[C@H]2C[C@H]2C1 43761770
COC(=O)[C@@H]1CC(C)(C)C[C@H]1O 45071469
O=C(O)C1(c2cnccn2)CC1 66054561
CC(=O)NN1C(=O)CC[C@H]1C 71773356
CN1CCC2(CC1)C[C@@H]2N 76574455
O[C@@H]1C[C@@H]2CCCCN2C1 83255401
O=C1Cc2cc(O)ccc2N1 98176419
CCOC(=O)C1=CN2C=CC=C[C@@H]2N1 101691861
OC[C@H]1C[C@@H]1F 169241837
O=C(O)[C@]12CC[C@H]1CNC2 238854986
NCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 250983023
COC(=O)C1=CN(C)C(=O)CC1 261004186
OC[C@@H]1CCC2(CCOCC2)CN1 521399771
N[C@@H](Cc1ccccc1O)C(=O)O 392004
CC(=O)CCCC(=O)O 901275
CN(C)CCC1CCNCC1 1296263
Nc1ncc(C=O)s1 2577861
COc1ncc(N)cc1C 8698124
C1CC(N2CCSCC2)CCN1 19088579
CC(C)[C@H](N)C(=O)N(C)C 19437691
Cc1nc(CN)oc1C 19726750
c1c[nH]c(C2CCNCC2)n1 26461390
COc1ccc(CO)cn1 35570010
CN(C1CCNCC1)C1CCOCC1 36321370
CC1(C)C[C@H]1N 39947118
Nc1ccnc(-n2cc(CO)cn2)c1 97454903
CC1(C)C[C@H](C(N)=O)C(C)(C)N1[O] 100052307
O=C(O)[C@@H]1CC[C@H]2CCC(=O)N2C1 145414108
CO[C@@H]1CNCC1(F)F 238330174
CSCCC(=O)N1CCC1 306300885
O=C(O)C12CC(CN1C1CC1)C2 1535641183
FC12CNC(C1)C2 1772795212
O=C(O)C[C@H]1NC(=O)c2ccccc21 309653
O=C(O)C[C@@H]1CCCCN1 406088
CCSC[C@H](O)CO 2140975
Nc1ccc(CO)cc1F 2243164
O=C(O)CC[C@@H]1CCOC1=O 5134259
C=C=CCO 5157491
COC(=O)NC(C)C 5909939
O=C(O)C1=NN=C(c2cccnc2)C1 6732081
O=C(O)c1cnc2nc[nH]c2c1 12955779
C[C@@H](Nc1ncccn1)C(=O)O 13536162
COC(=O)[C@H](CN)C(F)(F)F 16159511
COc1ncccc1CC(=O)O 21985010
c1cncc(C2CNC2)c1 23894218
N[C@H]1CCC[C@H]1CO 32099062
CC[C@@H](N)c1cnccn1 37467059
CC(C)=C1C[C@@H](CO)[C@H]1CO 45069381
CN1CCC[C@@]2(CCNC2)C1=O 54956966
OCC1CCN([C@@H]2CCCNC2)CC1 71614538
CCOC(=O)[C@H]1CCNCCC1=O 79017111
NCc1ccc(Cl)nn1 79438415
CC1(C)OCC[C@@H]1N 115940838
CO[C@@H](C)CO[C@@H](C)C(=O)O 134060557
C=CC(=O)NCC(=O)N1CCCCC1 161574185
O=C(O)CCCn1cnc(Cl)n1 223250717
O[C@@H]1CCN(C[C@H]2CCCNC2)C1 238853097
CC(C)[C@@H]1NC(=O)C12C[C@@H]1O[C@H]1C2 521399197
N[C@@H](C1CCCC1)C1(O)CCNCC1 958527534
CCn1cnc([C@H](N)C(C)(C)O)c1 958527632
C=CC(=O)NCC1=NOCC1 1776004319
N[C@@H]1CC2(CCC2)[C@H]1O 1857783135
NC(=O)NOCc1ccccc1 84002
NC(=O)Cc1ccc(O)cc1 157085
Cn1ccnc1C(O)c1nccn1C 1022335
NCCCCCCN 1543408
COC(OC)C(C)=O 1681744
CCOC(=O)CC(=O)COC 3880845
OC1CCSCC1 4087234
Cc1cc(=O)n2ccnc2[nH]1 5503889
C[C@H](CC(=O)O)[C@H]1COCCO1 12383401
COC(=O)c1ccc(C(=N)NO)cc1 14007568
CC(C)(C)[C@H]1CNCCN1 21983636
Oc1cncc(Cl)n1 36949546
Cc1c[nH]c(=O)c(C(=O)O)c1 43224389
Oc1nnc(CC(F)(F)F)o1 49584927
O=Cc1cc2c(cn1)OCCO2 49587241
CC(C)n1cnnc1CN 54498219
O=C(O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 100844308
O=C1NC(=O)[C@@H]2CCCCC[C@H]12 147762774
COc1ccnc(C=O)c1OC 166197853
COC1(OC)CC(CCO)C1 169795862
CC1(C)NCC[C@@H]1N1CCOCC1 205361505
Oc1cccc2ncnn12 238726980
CC1(C(=O)N2CCC[C@@H](N)C2)CC1 306173240
Nc1cnc2cc(C(=O)O)cnc2c1 584907068
C=CC(=O)NC1(c2ncc[nH]2)CC1 2325890167
NC(=O)c1c(N)cccc1F 154077
CC(=O)O[C@H](C)C(=O)O 389740
CC(=O)c1ncccc1N 1420799
CCOCCOCCO 1600621
CN(C)C[C@H]1CC[C@H](CN(C)C)C1=O 1670753
NC(=S)c1cscn1 2527456
O=C(O)[C@H]1CNc2ccccc2O1 3888759
C[C@H](N)C(=O)Nc1ccccc1 6425593
CC(=O)[C@H]1CN(C)CC[C@]1(C)O 13510264
C=CC(=O)N1CCCC[C@@H]1C(=O)O 19515655
Nc1ccc(F)nn1 30678112
CCOC(=O)c1nn(C)cc1C 34781642
COc1nn(C)c(C)c1N 42384049
O=Cc1ccc2c(n1)OCCO2 49587243
O=C(O)c1n[nH]c2cnccc12 72338612
COC(=O)C1CC2(C1)OCCO2 95644218
Brc1cnnnc1 95831016
C[C@@H]1CC[C@@H](N)CN1 141178449
O[C@H]1CCN(c2cnc(Cl)cn2)C1 238725659
COC(=O)[C@H](N)[C@H]1C[C@H]2CC[C@H]1C2 250370350
C1=CC2(CCOCC2)NC1 687800947
O=C1CC[C@@H]([C@@H](O)C(F)(F)F)CN1 1775955959
O=C(O)CCC(=O)Nc1ccncc1 332836
CC[C@H](O)CC(=O)OC 391095
C[C@@H](CC(=O)O)[C@H](C)C(=O)O 394318
CC(C)(C)OC(=O)N1CC[C@@H]1CO 2506654
C[C@@H]1CC=CCC1(CO)CO 4578676
Cn1cnc(Br)n1 6072435
Cc1ncc(C=O)c(N)n1 11919726
CNC(=O)c1cc(C)n(C)n1 13466585
COC(=O)C1CC2(CC(N)C2)C1 32628931
O=c1nc2cc3c(cc2c[nH]1)OCO3 34135998
Cc1nc(CN)co1 36533178
COc1cc(Cl)nnc1N 75772241
C[C@H]1CC[C@@H](CO)CN1 82164207
CNC(=O)[C@H](N)c1ccccc1 95634791
OCC[C@H]1CN(CC2CC2)CCN1 205361577
O=C(O)c1ccc2c(n1)CCO2 214893912
Cc1nnc(O)c(CO)c1C 225517018
C[C@H]1CN(C)CC[C@H]1N1CCNCC1 242728127
CCOCn1cnc(Cl)n1 252527550
NC1CC2(CC[C@H]2O)C1 688161047
N=C(N)c1nccn2nccc12 1857779927
O=C(O)C1(c2ccno2)CC1 1857781215
N=S1(=O)CCC(N)CC1 1875280754
O[C@H]1CCC[C@H](O)C1 394653
O=C(O)[C@@H](O)C(Cl)(Cl)Cl 1596322
Cc1cccc(P(=O)(O)O)c1 3086388
OCCCN1CCCC1 3622806
CC1=NNCC1 5192009
CN1CCOc2cc(C(=O)O)cnc21 12370688
Nc1ncnc2[nH]c(=S)[nH]c12 18125321
CN1CCN(C(=S)S)CC1 19701962
CC(C)(C)OC(=O)CON 39340639
Cc1cnc(C)c(N)n1 39436852
CC1(C)COC(=O)C(C)(C)N1 54008310
CCOC(=O)[C@H]1CCC(=O)N(C)C1 96032224
N[C@@H]1C[C@H]2CC[C@@]1(N)C2 113205817
Nc1ccc2c(c1)CC(=O)NC2 117976795
COC(=O)C[C@@H]1CNCC[C@H]1C 260976885
C=CC(=O)N(C)[C@@H](C)C[S@](C)=O 307946273
OC[C@@H]1[C@@H](CO)C1(Cl)Cl 77623
CN[C@H]1CCCCC1=O 541952
CCCNC 1648987
Cc1cc(=O)[nH]c(O)c1C 2546977
NCc1cn2cccnc2n1 3887194
CC(C)(C)OC(=O)N1CC(N)C1 4203658
C[C@@H]1[C@@H](O)C2CCN1CC2 4787691
CC(=O)C[C@@H]1C[C@@H](C)C(=O)O1 4973103
CC[C@H](O)C[C@H](C)O 5923051
CC[C@@](C)(CN)N1CCOCC1 19413945
NC(=O)c1cncs1 33606455
COP(=O)(CO)OC 34617617
O=C1CCC2(CCNCC2)O1 36533249
CN1CCNC(=O)[C@H]1c1ccccc1 65731440
O=C(O)c1c[nH]nc1Cl 66345516
C1CNC[C@]2(C1)CCOC2 70063807
O[C@H]1C[C@@H]2C=C[C@@H]1C[C@H]2O 104300235
COC(=O)[C@H]1CNCC12CCOCC2 164952482
CSC1=NC(C)(C)NN1C 196189542
NC[C@@H]1C[C@H]1C(F)F 219143762
C[C@H]1C[C@H](O)C[C@@H](C)N1 238853059
COC(=O)[C@]12[C@H]3[C@H]4C[C@H]([C@@H]5[C@H]4[C@H]51)[C@H]32 247823069
COC1(C(=O)C2CC2)CCNCC1 306726260
CC(C)(C)NC(=O)N[C@H]1CC[C@@H](N)C1 307384740
C[C@@H](C(=O)N1CC=CC1)n1cncn1 910006055
NCc1cc2cc(C(=O)O)cnc2[nH]1 1775955958
NC(=O)[C@H]1C[C@H]1C1CCOCC1 1775965337
CC(C)[C@H]1CN2C[C@H](N)C[C@H]2CO1 1857690560
NC[C@@H]1CCCC2(CC(C(=O)O)C2)O1 1857783015
CCOC(=O)c1cccc[n+]1C 401406
N[C@H](Cc1cccnc1)C(=O)O 4222894
C[C@H]1CCCOC1=O 6037547
O=C(O)C(=O)NC1CCCCC1 11535759
OC1(CN2CCCC2)CCNCC1 19093120
C[C@H](N)C(=O)N1CCCC[C@H]1C 19436297
CN(C)[C@@H]1CCCCNC1 19947715
CN1C(=O)COc2cc(O)ccc21 36260763
CC(C)c1nnc(CO)o1 42383616
CN1C(=O)Cc2ccc(C(=O)O)cc21 44682244
CCOC(=O)[C@H]1CC[C@H](N)C1 78210733
O=C1C[C@@H]2CC=C[C@@H]2N1 95743057
NC(=O)c1nnn(C2CCCC2)c1N 143998329
CC1(C)NC(=O)CC[C@H]1N 225392080
CS(=O)(=O)N1C[C@H]2CCCC[C@H]21 230113639
CC1(C)CC(=O)CCS1(=O)=O 238179734
O=C1CCC[C@H]2CN[C@@H](C(=O)O)[C@@H]12 238638065
COC(=O)[C@H]1C[C@@H]2CNC[C@@H]2C1 250361982
C[C@]1(N)CCO[C@@]12CC2(F)F 1535645635
O=C(O)[C@@H]1CNC2(CCCC2)C1 1775954749
NC[C@@]12CC[C@@H](C1)OC2 1857783268
CN(N)c1cnc2ccccc2n1 165339
CN[C@H](CC(C)C)C(=O)O 403026
CC[C@H](C)[C@H](NC=O)C(=O)O 1576287
NC1CCSCC1 1698091
O=C1OCCO1 1718594
C[C@@H]1C[C@@H]1C(N)=O 1730122
Cc1cnc2c(C(=O)O)cnn2c1 2554044
Cc1cc(CN)on1 9355850
C[C@H]1CNCCC1=O 12650060
Nc1ccc(O)cc1N 13510140
CCn1ccnc1CO 16902430
CN(C)CCCN(C)C1CCNCC1 34928836
CCOC(=O)c1cc(NC(C)=O)[nH]n1 72334134
CC(=O)CN1CC=CCC1 145285035
Cn1ncc2c(NN)ccnc21 156676960
COc1ccc([C@@H]2OCC[C@H]2N)cn1 166914075
C[C@@H]1C[C@@H](CC(=O)O)CN1 220040212
CN1C[C@]2(C)CNC[C@]2(C)C1 238354872
CCOC(=O)[C@@H]1C[C@H](O)CCO1 238796427
O[C@@H]1CCCC[C@@H]1[C@@H]1COCCN1 241383421
O[C@H]1C[C@H]2C=C[C@H]3C[C@@H](O)[C@@H]1[C@H]23 247857363
C[C@@H]1N[C@H](C(=O)O)CC[C@H]1C 307112421
Cc1cn2nccc2c(=O)[nH]1 1536221419
CC(C)(C)[C@@H]1C[C@H](N)C(=O)N1 1772717615
NC(=O)c1ccccc1OCC(=O)O 51262
O=C1c2ccccc2C(=O)N1CO 76113
COC(OC)c1ccn(C)n1 163192
CSC(=S)N1CCOCC1 245635
Nc1cccc(CO)c1N 1435961
Cc1cc(C[C@H](N)C(=O)O)ccc1O 1713866
O=C(O)c1cncs1 2586002
c1cc2nsnc2c2n[nH]nc12 6557481
COC(=O)C(=O)CC(C)C 14592723
CCC(=O)C(=O)OC 14619056
COc1cc2nc[nH]c(=O)c2cc1O 21298339
COCCCN1CCC(N)CC1 34974470
CCOc1ncccc1C(N)=O 58143817
CCCc1cc(=O)n(C)c(=O)n1C 71772988
NNc1nnc(Cl)cc1C(=O)O 95802930
O=C1CCN(c2ncc(F)cn2)CC1 128445401
O=[S@@]1CCNCC12CCC2 140621526
CO[C@H](C(=O)O)c1cnn(C)c1 147859787
C[C@H](O)CNC(=O)Nc1ccccn1 169847225
CCOC(=O)[C@H]1CCC(=O)N[C@H]1C 260179296
O=C(O)C[C@H]1CCNC2(CC2)C1 1535645487
COC(=O)c1c(C)nn2c1CNCC2 1857783416
O=C1CCCc2c1cnc1ncnn21 1389331
CC(C)OCCO 1591818
CN(C)c1cc(Cl)nc(N)n1 1698532
COC(=O)[C@@H](O)Cc1ccccc1 2390922
CS(=O)(=O)n1cccc1C=O 2519477
Cc1nc(C(N)=O)cs1 2559290
C[C@@H](CCCC(=O)O)C(=O)O 2573948
O[C@@H]1CCN[C@H]2CCCC[C@@H]21 4011514
N[C@H]1CCCCC1=O 4722147
C[C@H](F)CO 8698350
COC(OC)C(=O)N1CCCCC1 12336397
Cc1cc(CN2CCNCC2)no1 19230068
C[C@H]1C[C@H]1N 36379813
CCOC(=O)CCN1CCC(=O)CC1 41635257
CC1(N)CCOCC1 62820453
CCOC(=O)[C@H](CC)CN 78724374
O=C1COc2ncc(C(=O)O)cc2N1 83254568
O=C1CCCC(=O)C1 100003028
O=C(O)[C]1[CH][CH][CH][CH]1 100011903
C[C@@H]1[C@H](O)[C@@H]2[C@@H]1C(C)(C)S2(=O)=O 101036152
CC(=O)[C@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C 103677187
CC1(C)CNCc2ccc(=O)[nH]c21 140053151
Cc1cc(C(N)=O)nn1C(C)C 141679696
CC(C)n1cc([C@H](C)O)nn1 162585635
N#CN(CCO)Cc1ccccc1 168195677
CCOC(=O)[C@H]1C[C@@H]2CNC[C@@H]2C1 242592421
COC(=O)[C@]12[C@@H]3[C@H]4[C@@H]5C[C@H]([C@H]43)[C@@H]1[C@@H]52 247823073
OC[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@@H]23)[C@H]1CO 247875880
Cn1ncc(C=O)c1F 259298968
C=CC(=O)N[C@@H]1CCOC[C@@H]1OC 307382959
CC[C@@](C)(N)CNC(=O)NC(C)C 725254987
N[C@H](CCC(F)(F)F)C1(O)COC1 958528286
O=C(O)c1c[nH]c(=O)c2ccncc12 1857783505
Cc1ccnc(SCC(N)=O)n1 419487
Nc1nccc(Cl)n1 967348
CCOC(=O)CNC(C)C 1605229
NS(=O)(=O)c1cc(F)cc(F)c1 2576766
O=CNCc1cccc(CNC=O)c1 3132312
C[C@@H]1CC(C)(C)[C@@H](CN)[C@@H]1N 3861413
Cc1nc(=O)c(CC(=O)O)c(C)[nH]1 5045421
Ic1nc[nH]n1 5204774
COc1ccc(C(N)=O)c(F)c1 12973385
CCNC(C)(C)CO 19093059
COC(=O)[C@H]1Cc2ccccc2CN1 34781416
C[S@](=O)c1ccc(CN)cc1 35287563
COC(=O)[C@@H]1CC(F)(F)CN1 39058486
COc1ccnc(C(=O)O)n1 40448804
Nc1ccc2c(c1)N[C@@H](CO)CO2 40763434
Nc1cc(F)c(C(=O)O)cc1N 125083529
O=C(O)c1cncc(-n2ccnn2)c1 170594083
CN1C[C@H]2CC[C@H]1CN2 218268928
O=C1N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 238854420
N[C@H](C(=O)O)[C@@H]1C[C@H]2CC[C@H]1C2 251520468
C=CC(=O)N[C@@]1(C)CCO[C@H]1C 300363380
COC1(C)CN(c2nccnc2F)C1 402711989
C[C@]1(C(F)F)COCCN1 575576330
CC[C@H](N)[C@]1(O)CCCN(C)CC1 958527963
C=CC(=O)N[C@H](CC1CC1)C(=O)OC 1346091268
Nc1cc(C(=O)O)ccc1C(=O)O 389863
CCCC(=O)O 895132
Cc1ccc(S(N)(=O)=O)cc1C 1865425
Cc1cc(=O)n(C)[nH]1 3199631
NCc1ccccc1C[C@@H](N)C(=O)O 4241966
C=CC(=O)O[C@H]1C(=O)OCC1(C)C 4280601
COC(=O)c1cscn1 4368835
CNC[C@@H](O)c1cccc(OC)c1 5996425
COCCNC[C@@H]1CCCO1 19090251
O=C(O)Cc1cccnn1 20417425
CCCCCNC=O 25695497
OCCC1CCC(O)CC1 34142446
N[C@H]1CCCN(c2cnccn2)C1 40434788
CC1=NNC(=O)[C@@H](O)C12CCCCC2 66055245
NC1(CC(=O)O)CCSCC1 72323998
O=S1(=O)C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1 100991086
Nc1ccc(S(=O)(=O)C2CC2)nc1 147695339
COC(=O)c1ncnc(C)c1C 200968949
O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1 241383423
NCCC1(CO)CCC1 259372288
COc1ccc2c(c1)no[n+]2[O-] 87673
COCCSCCO 2013249
COC(=O)Cc1ccc(O)c(C=O)c1 2539980
CCCCOC[C@@H](O)CO 4284068
CC(=O)CC(=O)Nc1nncs1 5383007
Nc1ncnn2cccc12 8764136
c1cn2ccnc2cn1 12356946
C[P@](=O)(O)CCC(=O)O 20123861
COC[C@H](C)NC(=O)c1coc(C)n1 22538481
Nc1cccc2c1CNCC2 24624354
O=C(O)c1ccc(CO)cn1 34078178
O=C1CCCc2cc(=O)[nH]cc21 39246715
Nc1ncccc1CCCO 39961309
CNc1cc(N)ccn1 43568228
CC(=O)OCc1nnc(C)o1 47844197
Oc1cnncc1Cl 90411160
COC(=O)[C@H]1CC[C@H]2CC[C@@H]1N2 149495514
NNc1ccc(F)c(C(=O)O)c1 218355113
COC(=O)[C@]1(N)CC[C@@H]2C[C@H]21 250433114
C[C@@H]1CCCC[C@]12CC(=O)NN2 521399062
CN1CCCC[C@H](CO)C1=O 521399301
Cc1[nH]n(C)c2nc(=N)sc1-2 585133984
NCc1cc2n(n1)CC1(CC1)CO2 606242798
C=CC(=O)N1CCN(C(C)=O)C[C@H]1C 952887862
O=C(O)c1cc2c(nn1)CCOC2 1857778178
N[C@@H]1C[C@H](CC(=O)O)C12CCC2 1857779993
Cc1cc(C(=O)O)nn1C 158737
Nn1cnc2ccsc2c1=O 160017
COC(=O)c1cc(N)ccc1O 330199
Nc1ccnc(N)c1 1846657
CNCC(C)C 2031652
COCCC(=O)O 2584375
C[C@@H]1CC(=O)CCN1 4343350
O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1O2 4383932
O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 5134554
Cn1ccnc1N 13354637
CN(C)CCNC(=O)c1ccco1 13632893
c1csc([C@@H]2CNCCN2)c1 19772828
CC(=O)Nc1cncnc1 25491104
CCO[C@H]1CN(CC)C[C@@H]1N 33414650
COc1cc(N)[nH]n1 34286700
CCOC(=O)Cc1ncccn1 39121048
COC(=O)CC1COC1 72193731
O=Cc1ncc(C(=O)O)cc1F 238691514
COC(=O)[C@@H]1[C@@H]2C=C[C@H]2[C@H]1C(=O)OC 247808718
Cn1nc([C@@]2(C)CCCNC2)cc1O 252508162
C=CC(=O)N[C@H](C)c1cnn(C)c1 306265768
O=C(O)[C@@]12CCO[C@H]1CCOC2 536959491
C=CC(=O)N1CCO[C@@H](CCF)C1 691996715
COC(=O)C1CC(NC(C)C)C1 725377312
CC(C)(O)CC(=O)CC(C)(C)O 397600
C/C=C/C(N)=O 1718595
N[C@H](Cc1ccncc1)C(=O)O 2385766
O=C(O)[C@@H]1CCC[C@H](O)C1 13548632
COC(=O)C[C@@H]1CCCN1 14684366
CN1CCCC[C@H]1C(CO)CO 15781495
Cc1nc([C@H]2CCCNC2)cc(=O)[nH]1 19093407
O=C(C1CNC1)N1CCCCCC1 19686376
CCc1nc(O)cc(=O)[nH]1 32152830
CCN[C@H]1CCCN(C)C1 40672308
Nc1cc(CO)ccc1O 58003989
O=C1NC[C@@]2(CCCNCC2)O1 67425223
O[C@@H]1C[C@H]2CC[C@H]1NC2 103539024
C[C@]1(CO)CCCNCC1 110916080
O=C(O)c1cc(Cl)cnn1 138715396
O=C1N=CC(F)=C[C@H]1F 208435739
COC(=O)C1(N)CC(C)C1 216161201
Cn1cc(Cl)cc(N)c1=O 216215541
CN(C)[C@H](O)c1ccc(CN)cn1 263639216
C[C@@H]1C[C@@H](N)CN1CCF 306739679
C=CC(=O)N1CCC[C@@H](O)[C@H]1C 307283004
CCCNC(=O)NCC1(N)CCCC1 699648542
CC1(C)C[C@@H](C(=O)O)CNC1=O 1775954782
Cn1ncc(P(C)(C)=O)c1C=O 1875389871
CN(C)C(=O)c1ccc(CO)cc1 3649508
NCc1nnc2n1CCCCC2 4205280
OC[C@H]1CNc2ccccc2O1 4271728
Cc1ccccc1OC[C@H](O)C(=O)O 4344183
OCC(F)F 4716342
O=C1C[C@@H]2CCC[C@H](C1)N2 5134501
N[C@H](C(=O)O)C1Cc2ccccc2C1 6117199
Nc1ncn2c(n1)nc1ccccc12 8651862
N=C(N)NCc1ccncc1 14808570
O=C(O)CSC1=NCCCN1 19735276
CN(C)CCn1cc(N)cn1 19810540
NCc1ncccc1O 20443406
CC1(C)OCC1=O 83428624
C1CS[C@H](c2nnn[nH]2)CS1 86981361
NC(=O)Cc1c(F)cccc1F 87256057
COC(=O)c1cnc(C=O)s1 95743176
OC[C@H]1CNCC(F)(F)C1 96028422
CC(=O)Nc1cnc(C)cn1 118360839
CCOC(=O)C(=O)[C@H]1CCCCN1 216643628
CCCCNC(=O)NCC1(N)CCC1 232971839
CO[C@@H]1C[C@H](N)C12CCC2 307435169
C=CC(=O)NC1(CF)CCOCC1 863970130
COC(=O)[C@@H]1C[N@@]1Cc1cccnc1 1857666566
O=C1N[C@@H]2CC=CC[C@@H]12 160485
CC(C)(C)OC(=O)CCN 402635
CCCCOCCO 1690437
COP(=O)(CC(=O)O)OC 2510620
Fc1ncccn1 6119128
O=c1[nH]nc(-c2ccncc2)[nH]1 6119168
CCNc1ncc(C(=O)O)cn1 8730903
NN1CCCCCC1 19167232
FC1(F)CNC1 19616256
NCc1nc2cccnc2[nH]1 19752665
NCc1cnc2cnccn12 24550529
CN[C@H]1CCC[C@H](O)C1 38889577
COc1ccnc(N2CCNCC2)c1 57218701
Cc1ccnc2nc(N)nn12 67424463
OCCOCC1CCC1 145593237
COC(=O)[C@@H]1C[C@@H]2N[C@@H](C)CC[C@@H]2O1 225388879
COC(=O)C1(C(F)F)CCNCC1 261125817
NCc1ccc(N2CCC2)cn1 307142514
O=[S@]1[C@H]2CCNC[C@H]1CC2 521398844
C[C@](O)(C[C@@H]1CO1)C1CC1 536949507
C=CC(=O)N[C@H]1CC[C@@H](C(=O)OC)C1 1335323238
CO[C@@H]1[C@H](N)[C@@H]2CCC[C@@H]12 1536221866
CNCc1ccn(C2CC2)n1 1848350284
CC(C)(C)[C@@H]1C[C@](C)(O)C(=O)N1 1857780616
O=C(O)[C@@H](O)c1ccccc1 36
COc1nccnc1C 405269
O=Cc1ncccc1O 1494953
CCCCC[C@@H](N)C(=O)O 2035160
CC(=O)[C@]1(Cl)CCOC1=O 5167055
N=C(N)N1CCCCCC1 5375101
NCCNC(=O)c1ccccc1O 22212557
CN(C)[C@@H](CN)c1ccncc1 35287514
NC(=O)c1cnn(-c2ccccc2)c1 37388348
NS(=O)(=O)C1(c2ccccc2)CC1 39054566
CCOC(=O)C1(N)CCSCC1 41048822
CC(C)(O)CCCN 62498391
CC(C)N[C@@H]1CCOC1 70962381
COc1ccccc1CCNC(=N)N 71506361
NC[C@@H](CO)NCc1ccccc1 71606342
O=C1NCc2ccncc2N1 149239384
F[C@H]1CCC12CNC2 238538346
O=C(O)[C@@H]1NCC[C@@H]1[C@H]1CCCO1 238855447
NC[C@@H]1CC[C@H](C2CC2)O1 306500444
Cn1cnnc1[C@@H]1CC[C@@H]1C(=O)O 306856614
O=C(N[C@@H]1C[C@H]1CO)c1cc(F)c[nH]1 336245371
CCCNNc1ccc(C(N)=O)nc1 536954658
COC(=O)[C@@H]1C[C@@H]1c1csc(=N)[nH]1 1857782908
CCOC(=O)[C@@]1(O)CN2CCC1CC2 392755
OC[C@H]1CCCC[C@@H]1CO 406933
CCCOCC(=O)O 1566418
O=C1O[C@H](O)c2ccccc21 5517700
CNC1=NC[C@@H](C)S1 8241866
C1CO[C@H](CN2CCNCC2)C1 19230051
C1CCN([C@@H]2CCNC2)C1 20135930
COC(=O)c1ccc(Cl)nn1 20357993
C[C@H](N)c1cnccn1 37467081
Oc1ncnc2cnc(F)cc12 38540747
O=C(O)c1cc2n(n1)CCC2 40435253
CN1CCC[C@@H]2CNC[C@@H]21 42684205
C[C@]1(C(=O)N2CCCC2)CCNC1 62879026
c1nc(C2CC2)nc2c1CCNC2 84249234
COC(=O)c1c(CO)nn2c1CCC2 96511752
NN1C(=O)C[C@H](c2ccccc2)C1=O 100467482
CNC(=O)c1csc2c1CCNC2 238355372
COC(=O)C[C@H](N)c1ccnc(O)c1 238363306
O=C1[C@H]2[C@H]3C=C[C@H]4[C@H]2C(=O)[C@@H]2[C@@H]1[C@H]3[C@H]24 257346555
O=COC[C@H]1[C@H]2[C@@H]3C[C@H]1[C@@H](OC=O)[C@@H]32 257355811
O[C@@H]1[C@@H]2C[C@@H]3[C@H]4[C@H]5[C@H](C[C@@H]1[C@H]5[C@@H]42)[C@H]3O 257357823
CS(=O)(=O)C[C@H]1CC[C@H](N)CC1 306305127
CC1(C)CNC[C@@]1(F)C(=O)O 306676073
C1OC[C@@H]2[C@@H]1[C@H]1CNC[C@H]12 521399604
NCC12CCC(CC1)O2 536960854
CC(C)(C)N1C[C@H](C(=O)O)CC1=O 151461
Cn1cc(C(=O)O)cn1 1088698
C=COCCN(C)C 1605900
COC(CN(C)C)OC 2539323
CNCC(=O)NCc1ccco1 3434776
Cc1cc(C(=O)O)c(C)nn1 11729632
COc1ccc(N)cc1C(N)=O 20155987
COCc1cc(N)n[nH]1 26511567
CC1(C)OCC(C(=O)O)CO1 34498930
O=C(O)CNC(=O)CC(F)=C(F)F 34512263
COC(=O)[C@H]1CCCN[C@H]1C 39088031
CC1(CC(=O)O)COC1 74938381
Cc1ocnc1CN(C)[C@@H]1CCNC1 128579338
NCCNc1nccn2ccnc12 201339081
O[C@@H]1[C@H]2[C@H]3S[C@@H]4[C@@H]1[C@@H]1[C@@H]2C[C@@H]3[C@H]41 247715189
NC[C@H]1C[C@H](C(F)(F)F)CO1 536956693
CC(C)[C@@H](N)C1(O)CCOCC1 958528945
C1CO[C@@H](C[C@@H]2CNCCO2)C1 1535631953
CC1(C)CN([C@H]2CCNC2)C(=O)O1 1857783684
COc1ccc(CC(N)=O)cc1 156551
Nc1noc2ncccc12 168472
N[C@H](CC(=O)O)c1ccc(O)cc1 170331
Nc1ccccc1CCO 406951
O=S(=O)(O)[C@@H]1Cc2ccccc2N1 2531006
O=C(O)[C@H]1C[C@H]2C[C@@H]1CC[C@@H]2O 2556216
CC1(C)COC=N1 2560515
C[C@@H]1CCC[C@@H](C(=O)O)N1 4015912
NCCC[C@@H]1CCOC1 4344076
CCN(CC)CCOC(N)=O 6382231
NCc1n[nH]c(-c2ccccc2)n1 14808439
Nc1ccc2c(c1)CCNC2=O 16678139
Nc1ccc2c(c1)NC(=O)C2 20446449
NNc1nccc(-c2cccnc2)n1 32223066
O=C(O)C12CC(CCN1)C2 32629367
O=C(O)C(=O)N1CCCCCCC1 34927184
CCc1ncc(N)cn1 34961958
NCc1cncc(F)c1 35570028
C1CN[C@@]2(C1)CCNC2 39343584
COC(=O)c1[nH]nc(C)c1N 72226290
CC(C)(C)OC(=O)N1C[C@H]2NCC[C@@H]21 95630796
CN(C)C(=O)[C@@H](N)c1ccccc1 95864182
O=C1CC2(C1)CC(=O)C2 139913835
CNC(=O)NCc1cncs1 149499977
CC1(C)C[C@](O)(CC(=O)O)CO1 306892703
Nc1cccc2c1[C@H]1O[C@H]2[C@H](O)[C@@H]1O 1857783515
N[C@@H](Cc1ccco1)C(=O)O 2385775
CCn1ncc2nc[nH]c(=O)c21 2785144
OCC1(CO)CCC1 5289839
CC1(C)CC(=O)CC(=O)N1 5734422
OCC[C@H]1CCCCO1 19090618
CC(C)CN1CCNCC1 19230002
COC(=O)N1CCC(=O)[C@H](C)C1 33506184
Nc1ccc2n[nH]c(N)c2c1 76191273
O=C1CC2(CC2)CN1 96300727
CON1CCC(C(=O)O)CC1 147648868
O[C@H]1C[C@H]2[C@H]1[C@H]1C=C[C@H]12 222344219
CN1CCCN([C@@H]2CCC[C@H]2N)CC1 238856194
COC(=O)[C@]1(N)CC[C@H]2C[C@H]21 250433111
CC[C@H](N)C1(O)CCN(CC)CC1 958528187
C[C@H]1CCN=C(NC2CSC2)N1 1776004834
Cc1cc(NN)nc(C)n1 157903
N[C@H](C(=O)O)c1ccc(F)cc1 388691
Cc1ccccc1COC[C@@H](O)CO 394432
COC[C@H]1COC(=O)O1 403207
COC(=O)OCCOC(=O)OC 1627225
CCCCOS(=O)(=O)O 1845398
O=C1NCCS1 3887192
OCc1cn2ccsc2n1 4262675
NNc1ccc2nccn2n1 5374504
CCCCN1C[C@@H](C(=O)O)CC1=O 5487872
COC[C@@H]1CCCNC1 12137845
CC(C)C1=NO[C@@H](C(=O)O)C1 19089210
C[C@@H]1CCCCN1C(=O)C(=O)O 19092846
O=C1CC[C@@H](O)C1 32302942
O=C1N[C@@H]2C=CC=C[C@@H]12 45069898
Cc1ncn(CCN)c1C 51925717
CC1CN([C@@H](C)C(=O)O)C1 86683412
COC(=O)c1cc2cncnc2[nH]1 89223767
CCOC(=O)C1[C@@H]2CC(O)C[C@@H]12 100676290
O=C1CCC(=O)C12CC2 114337857
Cc1ccc(S(=O)(=O)NO)o1 145617689
COC(=O)[C@@H]1NCCC[C@@H]1C 147889272
N=C(N)Nc1nc2ccccc2n1N 407947215
C[C@H]1C[C@@H]1CNC1=NCCCCN1 521396935
COC(=O)[C@@H]1CCN=C(OC)C1 521399628
CC(C)NC(=O)[C@H](CN)C(F)(F)F 685946015
COC1(C(F)(F)CN)CCOCC1 1535639717
N[C@H]1C[C@H]2CC[C@H]1C[C@@H]2O 1875322958
CC1(N)CCS(=N)(=O)CC1 1875384899
NC(=O)c1ncc(F)cc1F 2548103
COc1cc(C(=O)O)cc(OC)c1N 2580750
CCCC(=O)N1CCC[C@@H]1C(=O)O 5819593
CC(C)[C@H](N)C(=O)N1CCCCC1 11958279
NNCc1ccccc1F 19171896
C1CC(NC2CCOCC2)CCO1 26340447
C1CN[C@H]([C@@H]2CCCN2)C1 34249662
Cc1c[nH]c([C@H](C)N)n1 37412393
CN1CCCNC1=O 39319740
CC(C)NC(=O)c1ccc(N)cn1 83964065
CC1([C@@H]2COCCN2)CC1 223040530
Cn1ccnc1/C=C/[N+](=O)[O-] 307628553
COC[C@H]1C[C@@H]2O[C@@H]2C1 521399243
N[C@H](C1CCCCC1)C1(O)COC1 958528603
Cc1nn(C)c(=O)c2noc(C)c12 123571
CN(C)C[C@H]1CCCC1=O 392593
COC(=O)Cc1cnc(N)s1 574159
Nc1ncnc(Cl)c1C=O 2511467
O=C(C1CCNCC1)N1CCCCC1 2513492
C[C@H](c1ccccc1)N1C[C@@H]1C(N)=O 2526515
C[C@H]1CN(CCCCN)C[C@@H](C)O1 6677791
CC(=O)N1CCC[C@@H](C(=O)O)CC1 16696777
CCCCNCC(=O)OCC 20044437
O=C(O)[C@H]1CC(F)(F)CN1 33604897
C[C@@H]1C[C@@H](O)CC[C@@H]1O 34156325
CCNCC(=O)OC(C)(C)C 34569055
NCC12CCCN1CCC2 39147410
CCOC(=O)CCNC(=O)OCC 39331375
c1c(C2CC2)nc2n1CCNC2 68911516
CNC[C@@H](O)c1ccc(O)c(C)c1 84446725
NCc1nccn1CC1CC1 87343276
CN1CCC2(CC1)CC(N)C2 91363949
FC[C@@H]1C[C@H](F)CN1 110915856
C1CNC[C@@H]([C@H]2CCCNC2)C1 114338440
N#CCC(=O)[C@H]1C[C@@H]1F 143982939
CCCc1cc(=O)[nH]c(=O)n1C 238272844
NCC1(C(F)F)COC1 258536008
O=C1C[C@@H]2CC[C@H](C(=O)O)C[C@H]2N1 950756074
N[C@@]12CC=C[C@@H](C1)OC2 1772715752
O[C@@H]1CCCNCCC1(F)F 1857787313
Cn1ncc2c[nH]nc21 1857796573
O=C(O)c1ccnc(C(=O)O)c1 391915
Nc1cc(N)c(O)cc1O 403311
CCNCCCCO 2567300
COc1cc([C@@H](N)C(=O)O)ccc1O 3677006
CN1CCCC1=O 3860621
O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1 4207269
CC(=O)OC[C@@H]1CCCO1 4404468
C[C@@H](OC(C)(C)C)[C@H](N)C(N)=O 6202012
O=C(O)[C@@H]1CC(=O)N(CC2CC2)C1 12879820
Cc1cc(C)c(C(=O)O)c(=O)o1 18194122
CCC[S@@](=O)CC(=O)O 19092319
NCc1ccc2nn[nH]c2c1 32600326
OCc1csnn1 32627325
COC(=O)c1conc1C 33800972
CC(C)c1ccc(=O)[nH]n1 36168307
CC(C)=C1C[C@@H](CO)[C@@H]1CO 45069375
N[C@H]1CCS(=O)(=O)c2ccccc21 54967523
CN1CCNC(=O)[C@@H]1c1ccccc1 65731437
CNC[C@H]1CCCN1C 85588040
CC(C)(C)O[C@@H]1C[C@@H](O)[C@@H](O)CO1 95495854
CCOC(=O)/C=C(/C)N 100014595
OC[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1CO 100526270
[O]N1[C@H]2CCC[C@H]1CC(=O)C2 137636212
COC(=O)c1noc2ncc(O)nc12 143841339
Cc1nc(Br)cc(=O)[nH]1 146687162
N[C@H]1CCc2ncccc2C1=O 212129466
Cc1noc(-c2nc(Cl)n[nH]2)n1 216630000
O=C1OC[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]12 256504638
O=S1(=O)CCN2C=CC=CC2=N1 81241
CN(C)c1ncc(C=O)cn1 299228
NC(=O)c1ccccn1 388048
CCN(CC)CC(=O)O 1596841
CO[C@H](CCC(=O)O)CC(=O)O 1604397
O=C(O)[C@@H](O)Cc1cccnc1 2506585
CCN1CCCC[C@H](N)C1=O 4240226
CC(=O)OCCOCOC(C)=O 5161388
C[C@H](CO)CC(=O)O 6020365
Cc1cccc(NC(=O)CO)c1 11638718
CN(CC(=O)O)C(=S)S 20219901
OCc1ccc2c(c1)NCCO2 36238442
O=C(O)C1(Br)CC1 39319666
CN1CCC2(CCNCC2)CCC1=O 59270569
COC(=O)c1nccnc1OC 91297493
Nc1cc(Cl)[nH]c(=O)c1 91365984
COC1(OC)[C@H]2C=C[C@H]1C[C@H]2O 101081957
CN(C)CCOc1cnccc1CN 162467225
COC(=O)[C@H]1CNC(C)(C)C1 215514834
NC(=O)[C@@H]1C[C@@H]1C1CCC1 306199303
CCCNNc1ccc(C(N)=O)cn1 536952191
O=C1CC[C@]2(CCN1)COCCO2 725378733
COC(=O)C[C@@H]1CC2(CC2)CN1 1535543595
Cc1cc2c(=O)n(N)c(C)nc2s1 59003
O=C(O)CCNC(=O)c1ccco1 235423
C[C@H](C(=O)O)N1CCCCC1 796516
COc1ccccc1C(=N)N 1442740
CC(C)(C)C(CO)CO 1559921
Cc1nn(C)c(C)c1CCCN 4992773
COc1ccc2nn[nH]c2c1 5115788
Nc1ccc(N)c(F)c1 5479668
CS[C@@H](C)C(=O)O 6020174
OCCCCN1CCCC1 12403768
Nc1ccnn1CC1CC1 19090079
C[C@@H]1C[C@H](O)CC[C@@H]1O 34156323
Nc1nccnc1Br 34353743
O=C(O)c1cncc2c1NCCO2 39961389
CNC(=O)Cc1cnc(N)s1 40174768
Cn1nc2cccc(N)c2n1 67425272
CC(C)N1CC2(CNC2)C1 95496185
COCCOc1cnccc1C(=O)O 126706547
CCOC(=O)[C@H]1C[C@H](F)CN1 166099275
CN1CC[C@H]2CCNC[C@H]21 167448084
COC(=O)[C@@H]1C(=O)[C@H]2CC[C@H]1C2 196476997
O=C(O)[C@H]1C[C@H]2CNC[C@H](C2)C1 306384733
Cn1ncc2c1CC(C)(C)CNC2=O 536956721
N[C@@H]1CCNC(=O)c2[nH]ccc21 1554770442
O=S1(=O)NCC2(CCC2)CO1 1772717916
Nc1ccc2cn[nH]c2c1C(=O)O 112588
CCCCN 1586365
CCOCCOCCOC(C)=O 1648187
CCOC(=O)C(=O)OCC 1648270
Cc1cc(CO)n[nH]1 3851840
CN1C[C@@H]2CCNC[C@@H]2C1 4204034
O=C(O)/C=C/Cl 12358771
C[C@H](CO)CN1CCCC1 12650194
O=C(O)[C@H]1C[C@@]1(F)Cl 16159864
NCc1cnn2cccnc12 24728264
COc1cccc2c1C[C@H](N)CO2 34189684
O=Cc1cccnc1C(=O)O 34616047
COC(=O)c1cnoc1C 35119608
C[C@H]1CC(=O)NC1(C)C 39246820
Nc1nc(Cl)cc(-n2ccnc2)n1 58825083
OCCn1cnc(C(F)(F)F)n1 82221073
CC[C@@H](C(=O)O)n1cnc(Cl)n1 223250188
BN(C(C)C)C(C)C 228973764
CO[C@@H]1O[C@@H](CO)C=C[C@H]1C 257356796
O=Cc1ccc(N2CC[C@@H]2C(=O)O)o1 725345036
C=CC(=O)N[C@H]1CC(=O)N(C(C)C)C1 1336702065
C[C@@H](O)C(=O)OC(C)(C)C 391795
N[C@@H](C(=O)O)[C@@H]1C=CCCC1 1683636
Nc1ccc(S(=O)(=O)O)c(N)c1 1688384
CN[C@H](Cc1ccc(O)cc1)C(=O)O 2389625
CCCn1cc(N)cn1 2537955
CC(=O)O[C@@H]1C=C[C@H](O)C1 4521099
Cc1cnccc1S(=O)(=O)O 6088387
COc1cncc(N)c1 14982096
CNCC1CCN(C)CC1 16941898
CNCc1cncnc1 20441644
CC1CCN(C(=N)NC(=N)N)CC1 49474262
N[C@H]1CC[C@@H](F)C1 66351530
COC(=O)[C@]1(C)C[C@H](O)C1 103536809
c1nc2n(n1)CCC2 145718100
CC(C)[C@H](N)[C@]1(O)CCCOC1 958528646
C[C@H](CCC(=O)O)C(=O)O 388194
O=C(O)c1ncc[nH]1 967355
O=C(O)Cc1cscn1 1670739
O=C1NC2CCC1CC2 1760647
CCOC(=O)[C@@H](CC)CO 2033561
COc1nc(N)ns1 2506770
c1cnc([C@@H]2CCNC2)cn1 2513100
CCc1cc(C(=O)O)no1 2559695
Cc1ccc(C(N)=O)c(O)c1 2583736
CC(C)(C)NCCCO 5284070
O=c1[nH]c2nncn2c2ccccc12 18172762
NCCc1nc2ccccc2c(=O)[nH]1 19088960
CC(C)CS(=O)(=O)CC(=O)O 19470207
COCCN[C@H]1CN2CCC1CC2 20070794
FC1(F)CNCC1(F)F 26894718
Cc1ccc(C(=O)O)nn1 34088241
C[C@@H]1CNC(=O)c2cccn21 51943251
COC(=O)c1cccc(CNN)c1 116082562
COCCCCN(C)CCC(=O)O 158502364
Nc1nc2ncc(Cl)cn2n1 212413604
O=C1N[C@@H]2[C@@H]1C[C@H]1CC[C@@H]21 247903796
C[C@@H]1C[C@]2(CCN1)CCO2 261507293
N[C@H]1CO[C@@H](C2CC2)C1 536948672
C[C@H]1C[C@@H](C(=O)O)C[C@@H](C)N1 583650897
C=CC(=O)NCc1cc2n(n1)CCC2 888098153
C[C@@H]1NCCC[C@]12CCCNC2=O 1800411758
COC(=O)c1cc(C=O)cn1C 165813
OCC1CCC(CO)CC1 388163
NNc1ccccn1 404420
CCc1c(O)nc[nH]c1=O 12654384
Cc1c[nH]c(C=O)n1 12956226
N=C(N)NC(=N)Nc1ccccc1 14951244
Cn1c(=O)c(=O)[nH]c2ccccc21 15767671
COc1cccc(C(N)=O)c1N 22062152
N[C@@H]1CCCCNC1 38337175
O=C(O)[C@@H]1CC(=O)N(C2CCC2)C1 48056620
O=C1C[C@@H]2CNC[C@@H]2C1 66339693
Nc1c[nH]c(=O)c(Cl)c1 71494399
O=C(O)[C@H]1CC(Br)=NO1 91692582
CNC(=O)NCc1ccon1 128914920
CCOC(=O)c1cnc(NC)o1 201805332
COC(=O)CNC(=O)c1ccccc1 50188
O=C(O)Cc1ccco1 1841060
O=c1cc[nH]c(F)c1 2599000
C[C@H]1C[C@H](C)C(=O)O1 4569873
O=c1[nH]cnc(O)c1Cl 16886470
CC[C@]12OCCN1C[C@@H](C)O2 16920057
OC1(C2CC2)CCNCC1 23789531
Cc1cc(CO)ncn1 39052901
CC(=O)[C@@H]1CCNC1 43220654
Cc1nc([C@H]2CCCN2)n[nH]1 48630553
CC1(C)[C@H]2CC[C@@]1([C@@H]1CO1)C(=O)[C@H]2O 101083530
NC(=O)c1cnc2nc[nH]c2c1 117764044
OCc1cc(Br)n[nH]1 212685035
N[C@@H]1COc2c(O)cccc2C1 225062017
CCc1ncncc1O 225170124
COc1ccc2c(c1F)NC(=O)C2=O 238366059
O=S1(=O)CCC2(CCCN2)CC1 253179896
COC[C@@H](N)c1cccc(C(=N)N)c1 1775990670
Cc1cc(C)n(C2=NCCN2)n1 140596
Nc1nnc([C@H]2CCCO2)s1 147188
Cc1cccnc1NC=O 401828
NCC1(O)CCCCC1 406948
CCCNC(N)=O 1699063
C[C@@H](O)C1CC1 2036579
CN(C)c1cncc(C(=O)O)c1 2456131
CCSCC[C@@H](NC=O)C(=O)O 2527942
O=C1CCC[C@@H](O)C1 4096054
NC1CCC(N)CC1 12363435
NNC(=S)NCc1ccco1 13685440
COc1ncc(F)c(O)n1 15217204
Nc1cccn2cncc12 39078013
COCc1nc(C(=O)O)co1 51075341
CCOC(=O)[C@@H]1CC[C@@H](O)CO1 59330800
OCc1cncc(Cl)n1 81991260
CCOC(=O)CO[C@@H]1CCCNC1 86005658
O=C(O)[C@H]1CC[C@@H]2CCC(=O)N2C1 145515236
C[C@H](CO)N1CCC1 220339840
CC(F)(F)C1(C(=O)O)COC1 258592556
CN(C)C(=O)[C@H]1CC[C@H](O)CC1 306512802
CC1(C)C(=O)N[C@H]2CCCN[C@H]21 1857783376
C1CCc2nnnn2CC1 1905
Cc1noc(C)c1C(=O)O 112526
NC(=O)[C@@H]1COc2ccccc2O1 118752
Nc1nc(N2CCOCC2)ncc1F 212660
COC(=O)/C=C/N1CCCC1 1586821
Nc1ccccc1C(=O)C(=O)O 2026646
CCOC(=O)Cc1cc(=O)[nH]c(C)n1 2529775
C[C@H]1C[C@@H]1CO 2539258
C[C@H](N)Cc1cnc[nH]1 3872813
CCOC(=O)CC(=O)CC 4261948
O=C(O)[C@H]1CCCN1C(=O)C1CC1 11890648
C[C@H](N)C(=O)NC1CCCCC1 11957342
Oc1cccc(-n2cnnc2)c1 14988506
CNCc1cccc(-c2nnn[nH]2)c1 19093417
O=C(O)Cc1ccon1 20417419
C[C@H](O)/C=C/[C@H](C)O 25623632
COc1cc(C(=O)O)c[nH]c1=O 35270571
CC1(C)CNCC[C@@H](O)C1 67425277
C/C=C\n1cnc2c(N)ncnc21 95936042
CCOC(=O)[C@@H]1CCn2c(C)nnc21 115168602
COC(=O)[C@@H]1NC[C@@H]2CCC[C@H]21 150270636
CC(C)(CO)N1C[C@H]2CC[C@H]1CN2 242688359
O=C(O)[C@@H]1CC2(CCC2)CN1 256053184
CN(C)[C@@H](O)c1ccc(CN)cn1 263639217
C=CC(=O)N[C@@H]1COC[C@H]1CC 699439916
Cn1cncc1[C@H](N)C1(O)CCC1 958528957
CCC[n+]1cccc(C(N)=O)c1 401818
CCOC(CCO)OCC 409224
Nc1ncccn1 967472
COC(=O)/C=C/CC(=O)OC 1656175
NC1(C(=O)O)Cc2ccccc2C1 1696551
COC(=O)c1cccc(CO)c1 5997544
CC(C)CN1CCN[C@H](C)C1=O 19088706
Cc1ccn([C@H](CC(=O)O)C(=O)O)n1 19094001
CC12CN3CN(C1)CC(C)(C3)C2=O 19315337
Clc1ncnn2cncc12 95093279
CC(C)(C)OC(=O)N1C[C@H]2NCC[C@H]21 95630798
N[C@H]1CC[C@H](O)CC1 100002189
OC[C@@H]1CCC(F)(F)CO1 221417191
CC(C)(CO)[C@@H](N)C1CC1 225514063
CN(C)[C@@H]1CCCC=CC(=O)NC1 379339320
N[C@@H](C1CC1)C(F)(F)CO 885239827
C=CC(=O)N(C)[C@H]1CCOC[C@H]1OC 1335287092
C[C@H]1N[C@@H](C(=O)O)CS1 39477
C1COC2(CCNCC2)OC1 2389986
CCCP(=O)(O)O 2539468
Cc1ccc2c(=O)oc(=O)[nH]c2c1 2580947
O=C1N[C@@H]2CCCC[C@H]12 4262583
CN(C)[C@@H](CO)[C@H](O)c1ccccc1 4823956
Cc1nc(CN)sc1C(=O)O 11887511
NCc1ccon1 23529026
O=C1COc2ccncc2N1 34304419
C[C@@H](O)C(=O)NC(C)(C)C 36757549
COC(=O)c1ccc(N)cn1 39057591
CCOC(=O)C1(C)CC(=O)C1 39087979
Cn1cc(C2(N)CCOCC2)cn1 63077106
CN(C)[C@H]1CCC[C@H](N)C1 71495323
COC(=O)c1ccn(C)c1 72206847
NCc1cncc2[nH]cnc12 89203349
C[C@@H]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 149511488
CO[C@H](C(=O)O)[C@H]1CCCOC1 160606499
C1CCN2C[C@@H]3CNC[C@H]3[C@@H]2C1 169617135
CC1(C)C[C@@H](N)CCS1(=O)=O 202836401
COCC12COC(C(=O)O)(C1)C2 1857783202
O=C(O)c1cnc(O)c2c1CNCC2 1857783494
COC(=O)c1c[nH]c(=O)c(Cl)c1 169892
CCCC(C)(CO)CO 391251
CCc1ccc(S(N)(=O)=O)cc1 403990
NCC1CCC(C(=O)O)CC1 1542907
CC(C)OCCCN 1587608
CNC(=O)c1cccc(O)c1 1608123
OCCCCCO 1687319
O=S(=O)(O)c1nc2ccccc2[nH]1 1782199
CC1(C)C[C@@H](N)CCO1 3882006
C[C@]1(C(=O)O)CCCO1 4342584
O=C1NC(=O)[C@H]2CCC[C@H]12 5134764
OCCC1CCOCC1 12370815
O=C(O)CC[C@@H]1CCCN1 26898536
CC(C)(N)CCCO 26899082
CN(C)C[C]1[CH][CH][CH][CH]1 100011588
COC(=O)c1cc2c([nH]1)C(=O)CC2 115011086
OC[C@@H]1CC2(CC2)CN1 146352036
OC1(C2CCNCC2)CC1 204018589
CC(C)(C)[C@@H](N)C1(O)CCOCC1 958527890
CC=C[C@H](C)O 1857790499
C=CS(=O)(=O)C=C 1561509
C[C@H]1COCO1 2015909
COC(=O)c1ccc2c(c1)CC(=O)N2 2577871
CCCC[C@@H](O)CO 3861506
c1cnc(-c2cc[nH]n2)cn1 8730175
CSCc1noc(CN)n1 19090821
Cc1ccnc(CN)n1 20441605
CC[C@H](CN)N1CCOCC1 23094247
c1cc(C2CNC2)ccn1 23894215
COC(=O)CCC1CCNCC1 33487604
Cc1c[nH]c2nc(N)ncc12 82408760
CCNC(=O)C1CCC(=O)CC1 84429654
O=c1[nH]ccnc1C(F)(F)F 91252466
CS(=O)(=O)CCN1CCCC1 96027573
CN[C@H]1CC[C@@H](C(=O)OC)CC1 117504761
C[C@@H]1O[C@H](C)[C@@H](N)[C@H]1C 252682386
COCCOc1ccnc(C(=O)O)n1 255187911
CCOC(=O)c1cc(N)c(F)cn1 307017696
C=CC(=O)N[C@@H]1CCO[C@H]1CC 952879403
COC[C@H](N)C1(O)CCSCC1 958527861
COC(=O)[C@H]1COC2(CCNCC2)C1 1772717424
C[C@@](N)(Cc1cccc(O)c1)C(=O)O 85987
C[C@@]1(c2ccco2)NC(=O)NC1=O 100049
Cc1cc(C(=O)O)n(C)n1 158733
CCC(=O)n1ccnc1 901601
C[C@H](O)C(=O)N1CCCCC1 1694435
COc1ccncn1 1733140
COc1ncc(F)cc1C(=O)O 2539934
COCCCC(=O)OC 2564816
O=C(O)c1cc(O)ccn1 8717785
Cc1[nH]c(=S)[nH]c(=O)c1CCO 18247518
CNCCNCC(F)(F)F 22466799
COc1nccc2c(=O)[nH]cnc12 77011594
O=C1CCCNC[C@H]1F 90659363
O[C@@H]1CC[C@H]2CCNC[C@@H]2C1 238714474
CNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239377493
Fc1cnc(Cl)n2cnnc12 253495942
C[C@@]12O[C@]3(O)[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@@H]([C@H]14)[C@@H]3[C@@H]52 253591223
Cc1nc(N)n(CC(F)(F)F)n1 306248539
NCc1cnn2c1OCC(F)(F)C2 521396064
CN1CCN=C1[C@H]1CC[C@H](N)CC1 757122837
NC[C@H]1CCc2nc(C(=O)O)cn2C1 1875330938
CC(C)C(C(=O)O)C(=O)O 394950
NCCCCCC(=O)O 1529425
Nc1ccc2ncnn2c1 1705760
CC(C)(C)P(=O)(O)O 1756473
CCCn1ccnc1CN 4244051
CCCCCC[C@H](O)[C@@H](N)C(=O)O 4782845
COc1ccc(NN)cc1OC 5733722
O=C(O)C1=NN=C(c2ccco2)C1 6732072
N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CO 12953470
CCNCc1nnc(C)o1 19737053
CC(C)[C@@H]1CNCCN1 22000562
COc1ccnc2c1CCC(=O)N2 35270578
CN[C@@H]1COC[C@H]1N1CCCC1 40447847
CCOc1cnc(N)cn1 40448358
CCn1nc(Br)[nH]c1=O 49584945
CCOC(=O)[C@@H]1CCCN(N)C1 95496175
O=c1cccc2n1CCCN2 100022882
N[C@]1(C2CC2)CCOC1 162174019
CC(=O)Nc1nnco1 166854337
Cc1ccccc1B(O)OCCCO 169745401
O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)O 197183159
C[C@@H]1C[C@@H](C)[C@H](C(=O)O)O1 216711803
O[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 238853931
OC1(C[C@H]2CO2)CCOCC1 536948650
CC[C@]1(C(=O)OC)O[C@]1(C)COC 669384469
N[C@H](C1CCC1)C1(O)CCOCC1 958528596
N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857699837
Cc1nc2n(n1)C[C@H](O)CS2 275050
NS(=O)(=O)c1ccccc1 330150
COC(=O)[C@@H]1CCCC[C@@H]1O 399106
Oc1cncc(F)c1 2384047
Cc1cccc(CCN)n1 4202821
NNc1nnc(NN)c2ccccc12 4474539
CCCN1C[C@@H](C(=O)O)CC1=O 5246819
c1nc2c([nH]1)CNCC2 5954995
Cc1ccc2[nH]/c(=N/CCO)[nH]c2c1 6065943
COC(=O)c1cc(O)c(OC)c(O)c1 14775842
Nc1ccc(F)cc1CO 20446529
OCC[C@H]1CNCCN1CC1CC1 22917412
CC1(C)O[C@H]2C(=O)C[C@H](CO)[C@H]2O1 38220715
O=C(O)C[C@H]1CC[C@@H](O)C1 88189711
CC(C)c1nnc2n1CCNCC2 95762357
NC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2O 116352722
CCOC(=O)C[C@@H]1CCCCNC1=O 141341127
c1cc(C2CNC2)on1 221460414
O=C1C[C@]2(CCCNCC2)CN1 238650106
O=C1N[C@@H]2C3CCC(CC3)[C@@H]12 238661361
NC1CCC2(CC1)CS(=O)(=O)C2 521400359
C1CN([C@H]2[C@H]3CC[C@H]2NC3)CCO1 601012600
Cc1cc(CO)n(C)n1 158736
Cc1nn(C)c(C)c1N 159651
c1nc2ncn3c(c-2n1)SCC3 484782
CCOC(=O)[C@@H]1CSCCC1=O 1751513
CNC(=O)c1ccc2c(c1)CCO2 4362168
C[C@H](O)Cc1nnc(S)n1C 5880920
Cc1ccc(NN)nn1 11567889
O=C(O)CCN1C[C@H]2CC[C@@H]1C2 14806615
COC(=O)/C=C(\C)OC 17328156
CCNCC(=O)NCc1ccccc1 20302331
O=C(O)CCNc1cn2c(n1)CCC2 22341819
CC(=O)Nc1c[n+](C(C)C)no1 22861429
S=C(S)[C@@H]1CCCN1 25539393
CCOc1coc(CO)cc1=O 36262600
COC(=O)CCNC1CC1 36667787
C[C@H]1CCNCC[C@@H]1O 76572455
NC1([C@H]2CCOC2)CC1 78725174
C1CNC[C@]2(C1)CCCO2 82046508
COC(=O)C1[C@H]2CC=CC[C@H]1C2CO 101053673
CC1(C)NCC[C@@H]1N1CCC[C@H](O)C1 205361226
N[C@@H]1CCOC12CCOCC2 258532643
O=[N+]([O-])C=C(O)O 409415875
CC1(C)C[C@@H](CCN)C(=O)N1 1536220512
C=CC(=O)N[C@H](C)Cc1cnccn1 1776007282
O=C(c1cccnc1)N1CCNCC1 251609
ONC[C@H](O)c1ccccc1 397119
CC(C)[C@@H](C(=O)O)N(C)C 402067
[O-][n+]1c[nH]c2ccccc21 406366
CSCC(=N)N 1439401
CC1(C)OC(=O)CC(=O)O1 1697324
COC(=O)c1cc(C=O)c[nH]1 2577863
CNNC(=N)c1ccccc1 3122966
CC(C)(C)NC(=O)C1CCNCC1 4298669
CCCCC[C@@H](O)[C@H](O)CO 4521749
COc1ncnc2[nH]cnc12 4692471
O=c1cc[nH]c2[nH]ccc12 12956316
CCN(CCCN)C(C)=O 36379577
CCN(C)C(C)=O 39633639
CCN1CCCNC1=O 49584946
CCOC(=O)c1noc(CC)n1 64034257
C[C@H]1COC[C@H]1CO 66054519
C[C@H]1COC[C@@]1(C)O 97759103
O=c1[nH]c2ccsc2[nH]1 108280944
CN1C(=O)c2ccccc2[C@@H]1C(=O)O 140426242
CCOC(=O)[C@@]1(C)CCC(=O)NC1 144647666
C=CC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 250510202
CN(C)[C@H]1CC[C@H]1CO 306260516
COc1ncnc(C(=O)O)c1F 306708799
NC(=O)c1scc2c1OCCO2 536956959
NC(=O)c1ccc(C2CC2)nc1O 584633162
CC(C)(C)c1cc2[nH]c(=O)ncn2n1 675050751
COc1cc(N)nc(OC)n1 49152
O=C(O)CNC(=O)/C=C/c1ccco1 155102
COC1=NS(=O)(=O)c2ccccc21 175443
C=C[n+]1ccn(C)c1 1705336
C=CS(=O)(=O)CC 1731676
C[C@@H](CN1CCOCC1)C(=O)O 2379806
CC(F)(F)C(=O)O 2506705
O=C(O)C1CCC(O)CC1 8383223
Cc1ccccc1CNN 19171889
COc1cc(C)ncn1 19872635
NCc1ccc(C(=O)N2CCC2)cc1 20284039
OCc1ncco1 34364486
O=C(O)[C@@H]1CCCc2cncn21 40448489
COC(=O)Cn1nc(C)nc1C 41042366
c1nnc2n1CCC2 42384369
N=C(c1ncc[nH]1)c1ncc[nH]1 85210662
CC(=O)Nc1c[nH]c(C(=O)O)c1 95933576
CCOC(=O)[C@@H](F)C(=O)CC 100004052
C[C@](O)(C(=O)O)[C@@H](N)c1ccccc1 139193410
Nc1ccc(C2CCOCC2)nn1 146459781
COC(=O)c1cc(C=O)[nH]c1C 215975925
COC(=O)c1ccnnc1Cl 258034845
O=C(O)[C@H]1CCNC2(CC2)C1 258592574
CS(=O)(=O)N1[C@H]2CCC[C@@H]21 536951135
CC[C@H](C)[C@H](O)C(=O)Nc1cn[nH]c1 677920152
NC1CC2(CC[C@@H]2O)C1 688161046
NS(=O)(=O)c1ccccc1F 155614
CC(C)[C@@]1(C)NC(=O)NC1=O 399379
COC(=O)CCC(C)=O 1615347
c1nc([C@@H]2CCNC2)c[nH]1 4626815
O[C@H]1C=CC=C(Br)[C@H]1O 4978561
CNCC(=O)NC1CCCCC1 19513596
COC(=O)[C@H]1CSC(C)(C)N1 31938959
CCOC(=O)[C@]12C[C@H]1C(C)(C)OC2=O 33359747
CC(C)[C@H](N)C(C)(C)O 39434535
CCOC(=O)[C@@H](C)CO 43614027
NC(=O)c1ncc(Cl)nc1Cl 62726786
CC1(NC(=O)OC(C)(C)C)CNC1 72267038
CC(=O)c1ccon1 75629640
CCOC(=O)CO[C@H]1CCCNC1 86005662
OCc1cnc(-c2ccncc2)[nH]1 91696211
C[C@@H]1CCCC[C@]1(O)CO 132807299
COC(=O)[C@@H]1CCN[C@@H]1C(C)C 139092899
C[C@H]1CC[C@H](CN)NC1 144052111
CC(C)C[C@H](C)NC(=O)C(=O)O 170596126
C[C@H](CO)[C@H](C)N(C)C 228752112
O[C@@H]1CCN([C@@H]2CC[C@H]3CNC[C@@H]32)C1 585672774
C=CC(=O)N[C@@]1(COC)CCOC1 888098052
C=CC(=O)N[C@H]1C[C@H]1C(F)F 952878868
CC[C@@H](N)[C@]1(O)CCOC1(C)C 958528447
CC(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857724754
CS(=O)(=O)[C@H]1CNC2(CCC2)C1 1857782974
O=c1c2ccccc2nc2n1CCO2 135602
OCCSCCSCCO 2140921
CC[n+]1ccn(C)c1C 2506534
O=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1 4241546
CCOC(=O)c1n[nH]cc1N 17946019
Nc1cnc2cn[nH]c2c1 18561953
C[C@H]1CCCCN1C(=O)C(=O)O 19092848
CC(C)(CO)N1CCCC1 19092980
O=C1NC2(CC2)CO1 34638608
CC1(C)CC(=O)[C@@H](O)C1 39242539
CCc1ccc(=O)[nH]c1 44120542
CNC[C@@H]1CCN(C)C1(C)C 67425178
CCn1nc(Cl)nc1OC 67425287
NCC1C[C@@H]2CC[C@H](C1)O2 104641834
C[Si](C)(C)CN 169877467
CC[C@H]1CNC(=O)[C@H](C(=O)O)C1 521400654
CN(C)c1cc(N)c(N)cn1 669382648
C=CC(=O)N1CCCC[C@H]1CC(N)=O 848978895
COC[C@H](N)c1cccc(C(=N)N)c1 1775990680
C1CN[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2N1 1857781419
O[C@]12CCCC[C@H]1CNCC2 201442
COc1ccc(CO)cc1O 395646
O=CN1CCCC1 1675320
N[C@@H]1C=CCC[C@@H]1C(=O)O 2526822
O=C(O)Cn1ccc(C(F)(F)F)n1 2537058
CP(C)(=O)O 4720640
COCc1cc(C)nc(N)n1 6522054
CCN1CCC(CO)CC1 15635501
C[C@H]1CN(C2CC2)CCN1 23319658
O=c1[nH]ccc2cccnc12 24601075
Cc1ccc2[nH]c(CN)nc2n1 26460093
CCOC(=O)c1nc(CC)no1 34425932
CCOC(=O)C1(N)CCOCC1 37459832
O=C1NCc2ccnc(Cl)c21 38338495
COC(=O)[C@H]1CNC[C@H](C)C1 39088041
CCOC(=O)[C@@H](N)C(F)(F)F 43464573
COC(=O)C[C@H]1C[C@@H](N)C1(C)C 141354999
COCCN(C#N)CCOC 168173625
CN1C(=O)OC[C@H]2CNC[C@]21C 407947237
NC(=O)c1ncc2ccccc2c1N 1875378862
Cc1nc(N)nc2c1CCO2 392443
CO[C@@H](C(N)=O)c1ccccc1 402158
CN1C(=O)c2ccccc2S1(=O)=O 1671133
Cc1cc(=O)c(C(=O)O)c(C)[nH]1 1735239
NNC(=S)Nc1cccc(F)c1 2168521
Oc1cccnc1F 2526745
Cc1nsc(N)c1C(=O)O 3349006
NNc1nc(Cl)nc2[nH]cnc12 4411049
CCN1CC[C@@H](O)C1 5020049
N[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 12405108
CCn1cc(CNCCOC)cn1 19089159
CCN1CCN(CCCCN)CC1 19272633
Nc1ccc(Cl)c(N)n1 19911452
Nc1cc(O)nc2ccnn12 34492912
CSC1=NCCN1C 38759321
CN[C@@H]1CCC[C@@H](O)C1 38889579
CONC(=O)c1ccc(O)cc1 70268151
CN(C)C(=O)N1CCC[C@H](N)C1 78677380
CC1=NNC(=O)[C@@H]1C 100018769
Cc1oc(CN)cc1C(=O)O 170598532
OC[C@@H]1CNC[C@H]1C1CC1 215096381
C=CC(=O)N[C@@H]1CCO[C@@H](C)C1 235604629
O=C(O)[C@@H]1CC[C@@H]2CCN[C@H]2C1 238855481
O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2[C@H]1O 248070509
OC[C@H]1CNCC12CCC2 409436380
C=CC(=O)NCCc1cncnc1 888098838
O=C(O)c1cnn2c1CC(F)(F)C2 1775955331
O=C(O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 1857778422
O=C(O)CNC(=O)c1ccccc1F 43549
CCN(CC)C(=N)N 394156
NC(=O)c1cncc(F)c1 1596084
NCCOc1ccccc1OCCN 2470960
Nc1nnc([C@H]2CCCCN2)s1 2533977
CCn1cn[nH]c1=S 4218214
C[C@@H]1CCC(=O)N1 4887188
COCCCC(=O)O 5997802
CCO[C@H](C)O[C@H](C)CO 6404068
CC1CCN(CCO)CC1 10152100
O=C(O)[C@@H]1CCCN1CC1CC1 16082878
Nc1cc2cn[nH]c2cn1 18551756
CCCn1nccc1O 34371067
OC1CC2(CCNCC2)C1 38324775
COC(=O)c1ccc(N)c(N)c1OC 39084208
COC(=O)[C@@H]1CNC[C@@H](C)C1 39088038
COC(=O)[C@]1(C)CCCNC1 59270611
Cc1cnc(C(N)=O)c(N)c1 66323315
CC[C@@H](N)C(=N)O 71621754
O=C(O)Cc1ncc(F)cn1 72482110
CN(C)CCCn1cc(N)cn1 114358693
CC(=O)N1CCOC[C@H]1C(C)C 202904210
Cc1cc(C=O)nnc1C 217407111
COC(=O)[C@]1(C)CC(F)(F)CN1 217908973
O=C1O[C@@H]2C=C[C@H](O)[C@@H]3CC=C[C@H]1[C@H]23 248011057
CO[C@@H](C)[C@@H](N)C(F)(F)F 306338105
OC[C@@H]1CC2(CCOCC2)CO1 536957851
NS(=O)(=O)C1(Cl)CCC1 685944695
Cc1nc(C(=N)N)cs1 166456
O=c1cccco1 1846601
O=Cc1ccc(N2CCOCC2)o1 2597441
CC[C@H](N)Cn1ccnc1 4226687
Cc1ncc(C(=O)O)c(C)n1 4967340
O=Cc1c[nH]c(=O)c(Cl)c1 8698115
CC(C)[C@H]1CNCCN1 23363477
O=C(O)[C@@H]1CC(F)(F)CN1 33604896
CCOC(=O)c1cc[nH]c1N 38858059
O=C1N[C@H]2C=CC=C[C@H]12 45069907
COc1cc2c(cn1)CNCC2 91692035
CCCn1cc(O)cn1 95093222
Oc1ccnc2[nH]ncc12 100172635
NC(=O)[C@H]1CCC[C@@H](C(=O)O)CC1 140493828
C1CC2CCC1NO2 168780717
OCCOC1CCSCC1 196730123
CC1(C)[C@H](N)[C@H]2CCO[C@H]21 216329828
C=CC(=O)N1CCC[C@@H](C(=O)NC)C1 232280591
C=CC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 250510205
C[C@H]1CN([C@@H](C)CO)C[C@@H](C)O1 306176078
COC(=O)C[C@@H]1C[C@H](N)CCO1 1772715989
NC(=O)[C@@H]1C[C@@H](c2ccccc2)CN1 1875277081
CNC[C@@H](O)COCc1ccco1 530599
O=C1C=CCO1 1682476
OCCNc1nc(Cl)ncc1F 2310844
Cc1c(Cl)cnn1CC(=O)O 2549476
Cc1cc2c(c(=O)o1)[C@@H](O)CO2 3883225
COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1N2C 4654765
CC[C@@H]1NCCCC1=O 12650038
CCN1CCCC1=O 14684426
CCCN1C[C@@H](C(=O)O)CCC1=O 15635604
Nc1ccc(F)cc1S(N)(=O)=O 16158679
COCC1(C(=O)O)CC1 19093047
CNC(=O)c1ccc(F)c(N)c1 21953393
c1c[nH]c([C@@H]2CCCNC2)n1 36324386
Cc1cnc2c(c1)NC(=O)CO2 39961390
CCNc1nccnc1N 40448280
OCc1cccc2ccnn12 66354377
O=C1Cc2cc(C(=O)O)cnc2N1 89221922
O[C@H]1CC[C@H](O)CC1 100006990
CCn1nccc1[C@H]1C[C@H]1N 164928175
CCOC(=O)[C@]1(C)CCNC1=O 196149254
COc1c(C)n(CC(=O)O)ccc1=O 197325244
CNCCC1CN(C)C1 211536206
O=C(O)c1ccnc(F)c1O 238685742
NC[C@@H]1CCC2(CC2)CO1 718914887
CCOC(=O)/C=C(\N)C1CCOCC1 725344642
COC(=O)c1sncc1C=O 1614920758
O=C1NC[C@@]2(CN3CCC2CC3)O1 7403
Cc1ccc(C(=O)NCC(=O)O)cc1 51120
Cn1nc(C2CC2)cc1N 160853
C[C@@H](NC(=O)c1ccco1)C(=O)O 294721
CCOC(OCC)OC(C)=O 388388
C[C@@H](C(=O)O)N1CCCCC1 796515
CN1C(=O)S[C@H](CC(=O)O)C1=O 1239579
C[C@H]1C[C@@H]1C(=O)O 1766071
Cc1cc(=O)n2nc(C)sc2n1 2706745
N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 11920014
Cn1c(Br)cnc1C=O 12336688
Cc1cnn(C[C@@H](C)N)c1 12351417
COC(=O)CCCCN 13356320
C[C@@H](N)c1ccncn1 19093485
OCCc1cc([C@@H]2CCCCN2)n[nH]1 19686252
Cn1cnc(C(=O)O)c1 19850645
C[C@@]1(CO)CCCN1 32228337
COc1cncc(N)c1C 35270426
CNc1cc[nH]n1 62796913
CO[C@H]1CCN[C@@H](C)C1 146414731
c1nc(CNCc2cocn2)co1 215771989
NCC[C@H]1C[C@@H](O)C1 306253872
CC(C)Cn1cc(C(=O)O)nc1O 536959791
N[C@H](C1CC1)C1(O)CCC1 958528717
CC(C)(C)OC(=O)N1CC[C@H](O)C1 403504
COC(=O)[C@@H](C)C[C@H](C)C(=O)OC 1707963
C[C@H]1CN(CC(=O)O)C[C@H](C)O1 4502678
CCOC(=O)[C@H](O)CC(C)C 5856724
CC[C@@H](N)CCN 5925606
COCC(OC)(OC)OC 5997791
C1CC[C@@H](O[C@H]2CCNC2)OC1 6674252
Cc1ccc(=O)[nH]c1 8698077
CNC[C@H]1CCN(CCOC)C1 11891870
Cc1nc([C@H](C)N)n[nH]1 14807572
COC(=O)N1CCC[C@H](O)C1 19093102
CN1CCN(C[C@@H]2CCCNC2)CC1 19436155
NC(=O)c1c(Cl)ncc2c1NCC2 20058226
CCOC(=O)c1ccc(CN)nc1 35287368
O=C1NCCN[C@@H]1c1ccccc1 37263108
CCOC(=O)c1c(N)ncn1C 39204197
Nc1ccn[nH]c1=S 39367828
O=C(O)c1c[nH]c2nccnc12 46178034
Cc1nc(C(=O)O)c(C)o1 49934280
N#CNc1ncc2c(n1)CCC2 71375639
CC(=O)c1ncc(F)cn1 77028405
O=Cc1ccnc(Cl)n1 95642166
CCOC(=O)c1cc(COC)[nH]n1 97757513
C[C@]1(C(=O)O)CCCS1(=O)=O 196829042
O=C(O)C1CC(NC2CCC2)C1 725376462
CS(=O)(=O)CC(=O)c1ccccc1 395147
COC(=O)[C@H]1CCCC[C@@H]1O 399105
NS(=O)(=O)c1cccs1 1235183
C[C@@H](NCCO)[C@H](O)c1ccccc1 1615762
COC(C)(OC)C(C)=O 2545349
Sc1ccc2nncn2n1 5997916
COCCNCc1cccnc1 7274776
CC(C)O[C@H](C)C(=O)O 12137163
CNCc1cnccn1 12416968
Cc1cnccc1NCCN 15635581
Cc1ccn([C@@H](CC(=O)O)C(=O)O)n1 19093999
C[C@@H](C1CC1)N1CCNCC1 23288729
CNC(=O)Cc1cccnc1 34338547
c1nc2ncc3c(n2n1)CCC3 40375941
Oc1nc(C2CC2)no1 51690986
CC(C)Sc1ncnc(N)n1 83251956
CC1(C)CO[C@@H](CO)CO1 115455077
CNc1cccn(C)c1=O 168886312
CN(C)[C@@H]1CCC[C@@H]1CO 202806243
NC[C@H]1COCCC1(F)F 213671675
OC[C@@H]1CCNC12CCOCC2 215182147
O=C(O)C1(C(=O)N2C[C@@H]3C[C@H]3C2)CC1 306661520
N[C@@H](C1CC1)[C@@]1(O)CCCOC1 958527497
O=C(O)[C@H]1Cc2cc(O)ccc2CN1 66124
CCC(CC)C(N)=O 394088
CC[C@H](C)[C@H]1NC(=O)NC1=O 449365
Cc1noc(C)c1CCN 2505905
Cc1nc(C)n(C[C@@H](C)C(=O)O)n1 4502558
Cc1nc(SCC(=O)O)n[nH]1 6008258
Nc1nc(Cc2ccccc2)n[nH]1 15635599
C1CO[C@H](CN2CCCNCC2)C1 20282547
C[C@@H](O)CNC(=O)c1ccccc1 32007250
CC1CC(N)C1 72266580
Cc1nc(O)c2c(n1)CNCC2 84227113
O=c1cc(Cl)nc2[nH]ccn12 100015299
FC1(F)C[C@H]2CNC[C@H]21 104581407
C[C@@H](OCCN(C)C)C(=O)O 134028959
NC1CC(OC(F)F)C1 158850390
O=C(O)[C@@H]1Cc2ccc(F)cc2CN1 165427372
CCc1nc(N)ncc1C(=O)OC 203940969
CC(C)(F)c1nc(N)nc(N)n1 231399776
COC(=O)c1cc(C)c(CO)cn1 238349524
O=C1C2[C@H]3[C@H]4[C@H]3C1[C@H]1[C@@H]2[C@@H]41 247706129
O[C@@H]1C[C@H]2C=C[C@H]3C[C@@H](O)[C@@H]1[C@H]23 247857364
Cn1ccc(-c2n[nH]cc2C=O)n1 1535646330
CN1CCC(n2nccc2N)CC1 801647
CC1=CCC(=O)O1 1596395
Cn1c(=S)[nH]c(=O)c2[nH]cnc21 2012043
O=C(O)CC1CCOCC1 2381632
CCC(=O)[C@H](F)C(=O)OC 2569270
O=C(NCCNC(=O)C1CC1)C1CC1 5829962
CN(C)[C@H]1CCC[C@@H]1O 5965197
CN1CCC[C@@H]1CC(=O)O 14684370
CCn1ccc(=O)n(CC)c1=O 14825808
CC(C)[C@@H](N)C(=O)N(C)C 19437689
C[C@@H]1CNCCS1 19875244
Nc1ccnc(N2CCOCC2)c1 20028414
Cc1ncnc2c1CCNC2 24625241
C1CN[C@]2(C1)CCOC2 83267371
COC(=O)[C@@H](N)Cc1ccc(C)cn1 88135250
O=C(O)C1=C(C(=O)O)[C@H]2C=C[C@H]1C2 100030543
CNC(=O)NCCc1ccncc1 131515638
CCCC[C@H]1COC2(COC2)N1 238250490
COC(=O)[C@@H]1CC[C@@H]2NC=N[C@H]2C1 242473207
O[C@@H]1C=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]1O 257346422
O=C1CC[C@@H]([C@H]2CCCO2)N1 258455021
Cn1nccc1[S@](=O)O 306691563
C1C[C@@]23CNC[C@@]2(C1)COC3 1535421251
CS(=O)(=O)c1ccc(C=O)cc1 153759
O=S(=O)(O)c1cccc(O)c1 1716716
COC(=O)C1(C)CC1 2556884
CC(=O)[C@@]1(Cl)CCOC1=O 5167240
CNC[C@H]1CC(=O)N(C(C)(C)C)C1 14806748
O=c1[nH]cnc2ncccc12 18009656
O=C1NCCC[C@]12CCCNC2 23508762
CC(C)N[C@H]1CCOC1 70962383
O=Cc1cnn(-c2cnccn2)c1 82703632
C[C@@H]1CN(C)C(=O)CC1=O 196536954
C[C@H]1C[C@H](O)c2nccn21 238855250
NC1(C(=O)O)CC(C(F)F)C1 307529030
O=C(O)[C@]1(F)CNC[C@H]1C1CC1 575535090
CCc1n[nH]cc1N(C)CCO 685948629
C=CC(=O)N[C@@H]1COC[C@@H]1CC 699439920
Cc1nc([C@H](N)C(C)(C)O)cn1C 958528329
CC[C@]1(C(=O)O)C[C@H]2CC[C@@H]1N2 1800410587
Cc1ccc(C(=O)NCC(=O)O)o1 376450
Oc1nc(=S)[nH]c2ccnn12 1026153
Cc1c(Cn2cc(N)cn2)cnn1C 2578482
COC(=O)C1=CCCNC1 3638105
Cc1ccccc1OC[C@@H](O)C(=O)O 4344185
c1n[nH]c2c1CCC2 5013003
COC(=O)c1cc[nH]c(=O)c1 16951276
Cc1cc(CO)ccn1 30678253
C[C@@H]1COCCC1=O 34240083
NCC[C@@H]1CCOC1 41053026
O=C1CN(Cc2ccccc2)CN1 72232714
O=C(O)[C@@H]1Cc2nccn2C1 82407837
CCc1cc(C(N)=O)n(C)n1 85166348
OC[C@@]1(F)CCCNC1 91692698
CN[C@@H](Cc1ccc(O)cc1)C(N)=O 142921335
CO[C@@H]1CC[C@@H]2OCCN[C@H]2C1 238852885
CN1C[C@H]2[C@H](O)CCC[C@H]2C1 1535543629
OC[C@H]1CC2(CCSCC2)CN1 1772801714
C[C@@H](CO)NC(=O)c1ccccc1 389948
CCOCCNCCOCC 2389863
CC[C@@H](C)[C@@H](NC(C)=O)C(=O)O 3123569
O=P(O)(O)[C@@H](O)c1ccccc1 4583020
N#CNc1ncccn1 13638829
CCCc1nc(CNC)no1 19090766
C1CN(CC2CC2)CCN1 19735889
Cn1nc2ccc(N)cc2n1 36447887
COC(=O)c1ccnc2c1CC(=O)N2 44712578
O=C1OCCC12CCNCC2 74942818
CON(C)C(=O)c1cncc(F)c1 90556480
CC1(C)CC(=O)CO1 96032606
CC1(C)C[C@@H](C(N)=O)C(C)(C)N1[O] 100052306
CC(C)C(=O)N1CC[C@@]2(CCCN2)C1 211337994
CC1(C)CC(=O)NC[C@H]1C(=O)O 212474774
N[C@H]1COC[C@@H]1C1CC1 213552867
C=CC(=O)N[C@@H](C)c1csnn1 306868267
CCNc1nnco1 307204198
COC(=O)C[C@@H]1CNC2(CCC2)CO1 1772716037
COc1cc(C)c(C(N)=O)c(OC)n1 95116
CCOC(=O)[C@@H]1C[C@H]1C(=O)O 1767631
CCOCCc1nnc(N)s1 2388631
NCC[C@H]1CCCNC1 4202874
Nn1c(S)nnc1C(F)F 4237615
CNCc1nc2ccccc2c(=O)[nH]1 6475789
NC[C@@H]1CCCN(C(=O)C2CC2)C1 12343446
Cc1ncnc2nc[nH]c12 14593164
C/C=C/[C@H](O)[C@H](O)/C=C/C 17046406
CC(C)C(=O)C(C)(C)C(N)=O 17492399
NC1(CN2CCOCC2)CCCC1 19371051
N[C@H]1C[C@H]1F 19616161
COC(=O)C[C@@H]1CCNC1 26898410
COC(=O)c1ccc2[nH]c(N)nc2c1 26898773
COc1ccc(C=O)nc1OC 35270385
N[C@H](CO)c1ccncc1 39050022
O=C1NC(=O)c2c(F)cccc21 49002076
COC(OC)[C@H](C)C(C)=O 66324309
CN1C(=O)C[C@H](C(=O)O)C1(C)C 67425171
Cc1c(N)cc[n+]([O-])c1Cl 95494851
COC(=O)C1(C)CC(=O)C1 95743145
COC(=O)[C@H]1C(=O)CC(=O)C[C@H]1C 100066345
O[C@H]1CC[C@H]2[C@H]1[C@H]1C[C@@H]2C[C@H]1O 104310721
O=C1C[C@@H]2CNC(=O)C[C@@H]2C1 137985590
CO[C@H](C(=O)O)[C@@H]1CCCOC1 160606240
Cc1nc(C(=O)O)c(C(=O)O)n1C 166178959
NC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2O 196674474
N[C@H]1CCC[C@H](CO)CC1 215024255
CC1(C)[C@H](N)[C@@H]2CCO[C@H]21 216329739
OCC12C3[C@H]4C5CC([C@H]41)[C@@H]2[C@H]53 216358551
CC1(C)C[C@H](O)CN1 220946475
C[C@H]1NCC[C@@H]1N1CCCC1 225747460
CN1CC[C@@H]2CC[C@H](C1)N2 225807393
C[C@@H](CN)C(=O)NC1(C)CCC1 228838078
Cn1cc(CO)c(C(F)F)n1 238855882
Cn1nccc1[C@]12CCOC[C@@H]1O2 536947995
OCC1CCN(c2ncccn2)CC1 158945
CCOC(=O)[C@@H]1CCCNC1=O 173698
NC(=O)N1CCCCC1 335494
CC(C)(C)OC(=O)N1CC[C@@H](O)C1 403503
O=C1NC(=O)C2=C1CCCC2 1566266
CN(CCO)Cc1ncccc1O 2022244
CSc1nnc(-c2ccco2)n1N 2508891
O=C(N[C@@H]1CCNC1)C(F)(F)F 2512482
NC[C@@H](O)CNCCc1ccccc1 3683767
C/C(=C\C(=O)O)CC(=O)O 4712490
O=Cc1cncc(C(=O)O)c1 26459755
O=c1nc(Cl)cc2n1CCN2 100671617
COC(=O)c1cc(F)cc(N)c1N 113982636
COC(=O)c1ccc(CCC(=O)O)[nH]1 115011442
C#C[C@](C)(O)c1nccs1 116666994
CNC(=O)NCC1CCN(C)CC1 121934679
CCO[C@@]1(C(=O)O)CCOC1 160592215
OC[C@H]1C[C@H]1F 169241923
C[C@@H]1C[C@H]2CNC[C@@H]12 200214396
C=CC(=O)N[C@H]1C(=O)OCC1(C)C 200740339
CC(C)NNc1ccc(C(N)=O)cn1 536953401
C=CC(=O)N1C[C@@H]2C[C@]2(C(=O)O)C1 693315493
C[C@@H]1CN[C@H](C(=O)O)C[C@@H]1C 1857778563
O=C1CCC(=O)N1CCc1cnc[nH]1 134525
CCOC(=O)C[C@@H](C)O 388764
Cc1cccc(C[C@H](N)C(=O)O)c1 1652106
COC[C@H](C)NC1CCN(C)CC1 2897664
COC(=O)C1(N)CCCCC1 3030638
Cc1nc(S)n[nH]1 5764944
Nc1cnn(-c2ccccc2)c(=O)c1 5934638
O=C(O)c1n[nH]c(Cl)n1 9142781
CC(=O)c1cnns1 12650588
Nc1cc(F)c2c(O)n[nH]c2c1 14983253
c1cc2cn[nH]c2cn1 14985617
NCC1(Cn2ccnc2)CC1 19091845
NNCc1cccc(F)c1 19171905
Cc1n[nH]c(C)c1C=O 19481507
c1n[nH]c2c1CC1(CC2)OCCO1 34928964
COC(=O)[C@H]1CC=CC[C@H]1N 39087899
CS(=O)(=O)C[C@@H]1CCCNC1 40449884
CCCC(=O)N1CC[C@@H](N)C1 50228719
Cc1nccnc1[S@](C)=O 66322743
C[C@H]1CN(CCCO)C(C)(C)CN1 67172981
CO[C@@H]1CCN[C@@H](C)C1 146414520
Nc1nc2cc3c(cc2[nH]1)OCO3 199674131
N[C@@H]1COC[C@H]1C1CC1 213552921
CCCn1ccc(CC(=O)O)n1 218748727
N[C@@H]1[C@H]2CC[C@H]3[C@H](N)[C@H]4CC[C@@H]1[C@@H]4[C@H]23 257355788
C[C@H](CN(C)C)OCC(=O)O 713922505
NS(=O)(=O)C[C@H]1CCC[C@H](F)C1 1535543381
Cc1cc(C2CNC2)no1 1535851112
C=CC(=O)NC1(c2cncn2C)CC1 1875366586
CC1(C)OC(=O)[C@@H](CC(=O)O)O1 388622
CCCNC(=O)/C=C/C(=O)O 1598260
O=C(O)C/C=C/CC(=O)O 1736714
C[C@H]1CCCN1 2031152
C1CC1NC1CC1 2525585
O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 2555638
O[C@H]1CC[C@H]2C[C@@H]12 5049664
Cc1ncc(C)c(=O)[nH]1 15780577
CC1=NO[C@](C)(C(=O)O)C1 19093280
O=Cc1ccc(CN2CCOCC2)o1 19735636
CC(C)CN1CCOCC1 19943523
CNC(=O)CCc1cccc(N)c1 20221048
C1C[C@]2(CCOC2)CN1 20439300
NC[C@H]1Cc2ccccc2CN1 21984749
Cc1nc(C(=O)O)c(C)[nH]1 34123137
O=c1[nH]c2cc(F)c(F)cc2c(=O)o1 34568600
N=C(N)c1cc(O)cc(O)c1 34925599
COC(=O)[C@H]1CSCCC1=O 35269706
Cc1c(F)cccc1S(N)(=O)=O 36532600
C[C@H]1C[C@H](N)CCO1 59622642
CCOC(=O)[C@@H]1CC[C@@H](N)C1 78210734
CC[C@@]1(CO)CCNC1 78676085
O[C@@H]1CCOC[C@H]1F 84239470
Cc1nc2nc[nH]c2cc1N 95635041
CC1CC(=O)CC(=O)C1 100007080
NC(=O)c1cccc2c1CCC2=O 238626511
C[C@@H]1C[C@H](O)c2nccn21 238855249
COCCOC[C@@H](N)C(F)(F)F 379318698
COc1nsc(OC)c1C=O 675050879
C1=CC[C@@]2(CCOC2)NC1 950756215
CN(C(N)=O)C1CCCC1 393613
CCn1nc(C)cc1C(=O)OC 2555773
CC(=O)C(F)F 2581425
N[C@H]1CCCC1=O 4538568
CC(C)CCN1C[C@@H](C(=O)O)CC1=O 6883265
C[C@H]1CNC(C)(C)CO1 11950131
Cn1ccnc1C(=O)[C@H]1CCCNC1 19088752
CC[C@@H]1CCCCN1C(=O)C(=O)O 20204670
O=C(O)c1c[nH]c(=O)cc1Cl 85221888
CC(C)(Cc1c[nH]nn1)C(=O)O 168399153
Cn1ccc([S@@](=O)O)n1 205627566
O[C@H]1C[C@@H]2[C@@H]3C[C@H]4[C@H]([C@H](O)C[C@H]24)[C@H]13 248004327
Nc1ccccc1O[C@@H]1CC(=O)N1 299805163
CC(C)(C)NC(=O)N[C@@H]1CC[C@@H](N)C1 307384738
COC(OC)c1n[nH]c(C)n1 503600476
O=C(O)[C@@H]1C[C@@H]2CCCN2C(=O)N1 1857778620
O=C(O)C[C@H]1CCNC12CCC2 1857779930
C[C@@H](CCN(C)C)N(C)C 404465
O=c1[nH]c(=O)c2c(Cl)cccc2[nH]1 1578001
OCCSCSCCO 1641197
OCCN1CCCCCC1 1682062
CNC1(C(=O)O)CCCC1 2567708
Cc1ccc(C(=O)NCCO)cc1 3138367
C[C@H](O)CF 6020693
Cn1cc(CC(=O)O)cn1 20442159
CCOC(=O)C1(O)CCCC1 36377986
CCc1nnc(O)s1 67425283
NC1(c2ccccc2)COC1 67802745
O=C1CCC[C@H]2[C@H]3CNC[C@H](C3)CN12 85923331
Cc1nnc(N2CCC(N)CC2)o1 118516734
O=S1(=O)OC[C@@H]2CCCCN21 139536981
O=C1NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@@H]12 141049899
O=C(O)[C@H]1CCC[C@H](CO)C1 143220197
Cn1nccc1C(N)c1ccnn1C 163031062
C[C@@H]1CO[C@H]([C@@]2(C)OC[C@@H](C)O2)O1 215991134
OC[C@]1(O)CCN(Cc2ccoc2)C1 306320196
CC(F)(F)C1(CO)COC1 669385248
C=CC(=O)NCCNc1ncccn1 685944988
CCOCCn1cnc(N)c1 685951030
C=CC(=O)N1CC[C@H](O)C12CCC2 1875368044
CCOC(=O)[C@@H]1CCCC1=O 160798
CN1CCC[C@@H]1CO 391249
CCOC(=O)c1cnco1 2527138
Cc1csc(CN)n1 3710557
Nc1ccc([C@H]2CC(=O)NC2=O)cc1 3777836
O=C(O)C1CCC(C(=O)O)CC1 3848696
COC(=O)c1cc(C)n(C)n1 3851829
Cc1n[nH]cc1N 4244016
COC[C@@H](N)c1ccnn1C 19091509
O=C(O)[C@@H]1CNCc2ccccc21 20282483
CCO[C@H](CC)CN 29865971
Cc1ccc(S(N)(=O)=O)c(F)c1 36532599
Oc1nccc2c1nnc1ccnn12 38701004
CCOC(=O)C(=O)n1ccnc1 39255695
CC(C)[C@H](O)CCN 41166817
CCOC(=O)[C@@H](N)CCSC 54954611
Cc1nc2ncc3c(n2n1)CCC3 65364922
O=C(O)[C@@H]1CCn2nccc2C1 84312896
CCCN1C[C@H](C(=O)OC)CC1=O 113466525
CCOC(=O)[C@H](O)[C@H](C)C(C)=O 138089060
COC(=O)[C@H]1C(=O)Nc2ccccc21 141033753
Cc1cncc(NC(=O)CC(=O)O)c1 232081898
O=C(O)c1cnc2cc[nH]c2n1 238673239
CO[C@@H](CO)C1CCOCC1 238853168
CCOC(=O)[C@@H](N)c1ccns1 259467016
COC(=O)[C@H]1NCC12CCCC2 521398712
C[C@H]1CN(C2CCNCC2)C[C@@H](C)O1 299476
CC(=O)c1cn(C)nc1C 375124
CC(C)CNCCO 1661232
CC[C@@H](C)C(=O)NCC(=O)O 3649875
O=C(O)[C@@H]1[C@@H]2C=CC[C@@H]21 5031318
CCCC(=O)N1CCC[C@H]1C(=O)O 5819594
O=C(O)Cc1cncs1 6499760
CCCN 16052656
CCNC1CC1 19091987
Nc1cc(C(=O)N2CCCC2)ccn1 19092972
NNc1ccnc(Cl)n1 21299563
COC(=O)C(C)(C)CC(=O)O 34440583
CCOC(=O)[C@H](CC)N(C)C 34924964
CC[C@H](N)c1cnccn1 37467057
Cc1nsnc1C(=O)O 38804045
CC(=O)c1ccc[nH]c1=O 39068796
CC(=O)Nc1cnccc1C=O 67172021
COc1cnccc1CO 79006612
CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1C2 101372914
OB1OCc2cc(Cl)ccc21 169981748
OCC1([C@@H]2CCCCN2)CC1 215125584
C[C@H]1CCN(Cc2nccc(N)n2)C1 225497632
COC(=O)c1cc(Cl)[nH]n1 253496228
COC(=O)[C@@H]1CCn2c(C)nnc2C1 259862979
O[C@]1(CF)CCCNCC1 261507832
C=CC(=O)N[C@H]1CC12CC(O)C2 642875638
O=C1NC[C@H](O)CC12CCC2 714524181
C[C@]1(N)CCO[C@]12CC2(F)F 1535645629
C[C@@H](O)C(C)(C)O 402155
COc1ccc(S(=O)(=O)O)cc1 2567234
COC(=O)/C=C(\Cl)CC(=O)OC 3074865
CC[C@H](N)[C@H]1CCCCNC1=O 3683990
CCCN1CCC[C@@H](C(N)=O)C1 4698329
CCOC(=O)c1nc[nH]c1N 5126301
Cc1noc([C@@H]2CCNC2)n1 12359741
O=C(O)CSCCN1CCCC1 19091192
Nc1cccnc1-n1ccnc1 20285771
O=C1OC[C@@H]2CCCCN12 25879554
COc1cccc(NN)n1 34754624
CO/C=C\[C@H]1OC(C)(C)OC[C@H]1O 43763201
CC(=O)OCc1cc(=O)c(O)co1 62719298
COC(=O)Cn1cnc(Cl)n1 67425296
CCc1n[nH]cc1C(=O)OC 114449541
O=C(O)[C@@H]1CCc2cccc(=O)n21 115478790
N#C[C@H]1C[C@H]1C(=O)O 118355462
COC(=O)c1cc(CO)ccc1O 167444172
C[C@@H](C(=O)O)[C@@H]1CCC(=O)N1C 213859945
COC(=O)c1cnc2nc(N)oc2c1 261256523
NC(=O)c1ccc(/C=C/C(=O)O)o1 521398714
NC[C@H]1CC2(CCC2)CO1 536959082
C=CC(=O)Nc1cnn(COC)c1 863970824
C=CC(=O)N[C@@H]1CCN(CC2CC2)C1 1353215056
C[C@]1(CN)CN(C2CCC2)C1=O 1536220074
c1cc2c(c(-c3nn[nH]n3)c1)OCC2 1875328812
CNC(=O)c1cccc2ccnn12 1875354378
OC1CCOCC1 391950
O=C(O)[C@@H]1CCCC[C@H]1O 392567
CC(=O)O[C@H](C)CN(C)C 393638
CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O 402831
CN[C@@H](COC(C)(C)C)C(=O)O 2389801
NCc1nnc2ccccn12 3349709
Cc1cn[nH]c(=O)c1 17108644
C[C@@H](CCN)N(C)C 19091972
C[C@@H](N)c1cncnc1 20441648
CN[C@H](CN1CC[C@@H](O)C1)C(C)C 22028377
C[C@H]1CCC[C@@]2(C1)NC(=O)NC2=O 22170118
N[C@@H](CO)Cc1cccc(F)c1 33852987
Nc1cccc2c1OCO2 38482055
CS(=O)(=O)c1ccccc1CN 42684206
Nc1ncc(CCC(=O)O)s1 60276697
CCN1[C@H]2CC[C@H]1CNC2 113897420
COC(=O)c1coc(CN)c1 128661789
C[C@H]1NC[C@@H]1NC(=O)OC(C)(C)C 197355824
O=C1NC(=O)C2(C[C@H]3CC[C@@H](C3)C2)N1 238653216
CC1(C)C[C@@H](C(=O)O)CO1 306147535
Cn1cccc1C(=O)N[C@@H]1CC[C@H]1O 335516810
COC(=O)[C@@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 675050810
NC[C@@]12CCC[C@@]1(CO)C2 1857783155
Cc1cncc(C(N)=O)c1 1562226
CCCC[C@H](N)CC(=O)O 2124044
Cn1cc(-c2cc(C(=O)O)no2)cn1 2538049
NC(=O)/C=C\Cl 13386486
N[C@@H]1CN2CCC1CC2 19202661
COc1ccc(CO)nc1 39051636
COc1ncc(CN)s1 39134483
CCC(=O)Nc1cc[nH]c(=O)n1 115888339
Cc1ccn2nc(C(=O)O)nc2n1 141512320
CCCCNC(=O)NCC(C)(C)N 168381876
CCOC(=O)[C@@H]1CNCCC1(F)F 238796127
C[C@H]1CCNCC[C@]1(C)O 253612740
CCOC(=O)c1c(C)c(OC)nn1C 257173840
CC1(C)COC[C@@H]1CN 306425650
CC[C@H]1CNC(=O)[C@@H](C(=O)O)C1 521400655
CC(C)C[C@H](N)[C@]1(O)CCOC1 958528552
COC(=O)c1c(O)cccc1O 396094
OCc1cccc(CO)c1 406981
OC[C@H]1CCCN(c2ncccn2)C1 771819
CC(=O)OC[C@@H](C)OC(C)=O 1701826
N[C@H]1CCCC[C@H]1N 3593790
CC(=O)[C@]1(C)CCOC1=O 3860942
Nc1cccnc1N1CCNCC1 11919546
Oc1ccc(-n2cnnc2)cc1 14988509
O=C(O)c1cnc2ncccc2n1 16124652
Cc1ccn[nH]c1=O 16697993
c1cnn(CC2CCNCC2)c1 19089506
CCNNCC 19168139
C[C@@]1(O)CCOC1 33961342
O=C1CSC1 39204351
COCC[C@H]1CCCN1 57660770
CN1CC2(CCNCC2)CC1=O 72233231
NCc1ccc(F)c(N)c1 79387247
Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 166726517
C[Si](C)(C)c1nn[nH]c1C=O 169872728
C[C@H]1C[C@]2(CCN1)CCO2 261507294
NC(=O)c1cc2[nH]cnc2cc1F 306760586
C[C@@H]1C[C@H](SCCO)C(=O)O1 307357138
NC1CC(n2cccn2)C1 702597763
N[C@H](C1CC1)C(F)(F)CO 885239807
Nc1cc(C(=O)O)ccc1O 157172
C1CC(N2CCOCC2)CCN1 299484
Cc1ccno1 1683906
NNc1ncnc2ccccc12 1849184
C[C@@H](N)C1CC1 2525582
Cc1ccn([C@H](C)C(=O)O)n1 2549496
NC(=O)[C@H]1Cc2ccccc2CN1 34781260
CSCCC(=N)N 38063714
COC(=O)c1ccc2ncnn2c1 38276421
O=C1NC2(CCOCC2)CO1 83965952
CCOC(=O)[C@H]1C[C@@H](O)C1 100044226
CCOC(=O)[C@H]1CC12CCNCC2 115751029
O=C1N[C@H](c2ccccc2)C[C@@H]1O 146931050
O=C1[C@@H]2[C@H]3[C@@H](O)[C@H]4[C@@H]5C[C@@H]([C@H]2[C@@H]35)[C@@H]14 241132994
CCCNNc1cc(C(N)=O)ccn1 536954057
COC12CC(CO)(C1)C2 585669963
COC(=O)c1ccc[nH]c1=O 169389
NC(=O)c1cccc(F)c1 406944
O=C(O)C(=O)c1ccccc1 1529359
O=C1NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 1762541
CCOC(=O)[C@@H]1C[C@@H]1C(=O)O 1767636
CCO[C@@H]1CCCNC1 6350765
CC(C)C(=O)N1CCC[C@H](C(=O)O)C1 11891202
CCn1cncc1C(=O)O 13483637
COc1cccc(CNN)c1 19169052
CCCCP(=O)(O)O 29786428
COc1cc(O)cnc1OC 38534079
CCOC(=O)N1C[C@H]2CCN[C@H]2C1 39125853
COC(=O)[C@@H]1CC[C@@H]2O[C@@H]2C1 39283042
Cc1cccc2c1N(C)C(=O)[C@H]2N 100094759
O=Cc1cccc(-c2noc(=O)[nH]2)c1 113924372
O[C@H]1CC[C@H]2C[C@H]1CN2 252515818
N[C@@H]1c2ccccc2CS1(=O)=O 256012030
C1CCN2C[C@@H](c3nn[nH]n3)C[C@H]2C1 521396186
C[C@@](O)(C[C@@H]1CO1)C1CC1 536949500
C=CC(=O)N1CCc2nocc2C1 888098848
c1ccn2nncc2c1 391481
O=C(O)c1ccc(O)c(C(=O)O)c1 409242
C[C@@H]1CCNC(=N)C1 1891073
OC[C@@H]1CCC=CO1 2046389
Cc1nonc1N1CCOCC1 3024878
c1cnc([C@H]2CCNC2)cn1 6476975
O=C(O)c1n[nH]c2c1CCCC2 6529827
CCn1ccnc1 8294979
CSc1nc(C)cc(=O)[nH]1 17957806
COc1c[nH]c(=S)[nH]c1=O 18202194
CCN1CCC[C@@H]1C(=O)O 19787913
Nc1ccnc2c1OCCO2 24626831
Cc1nc(N)[nH]c1C 31891102
Cc1cnsn1 34925429
COc1cccc(CCN)n1 35569309
Nc1nccc(C2CCNCC2)n1 43673958
CCCCN(C=O)CCO 44122828
C[C@@H](SCCC(=O)O)C(=O)O 49854419
Cc1ccc2c(c1)[C@@H](N)C(=O)N2 100133896
CC12[C@@H]3C=CC(C=C[C@H]31)S2(=O)=O 101037197
NCCc1cccc(CC(=O)O)c1 140200743
CC1CC(C(=O)N2CC[C@@H](N)C2)C1 307520736
C=CC(=O)N[C@@H]1CO[C@H](C)C1 402234516
CNC(=O)NCc1cc(N)ccn1 887279035
C=CC(=O)N1CCN(C(C)=O)C[C@@H]1C 952887866
COC(=O)[C@H]1CCSC12CNC2 1535642503
C=CC(=O)N[C@H]1CC(=O)N(CCC)C1 1776007244
COc1ccc(N)c(C(=O)O)c1 1715572
CC[C@H](C)O 1850884
C[C@@H]1COCO1 2015910
C[C@@H](C(=O)O)N1C(=O)CSC1=O 3866149
CC(=O)c1c(C)nc2ncnn2c1C 9306855
Cc1cn(C)nc1C(=O)O 33836202
CN(C)c1ncccc1CO 34084674
O=C1CC2CCN(CC2)C1 39078574
CCOC(=O)NC(=S)NC 40321608
CC1=NNC(=O)[C@H](O)C12CCC2 66055246
O=C1N[C@@H]2C=C[C@H]3C=C[C@H]3[C@H]12 71785462
Oc1ccc(-n2cnnn2)c(F)c1 115440873
Cc1cc(=O)n(C[C@H]2CCCN2)[nH]1 219599434
C[C@H]1C[C@](O)(C(=O)O)C[C@@H](C)N1C 248023481
C[C@@H]1CNCCC[C@]1(C)O 248081952
CCn1ncc(C)cc1=O 306847484
OCc1cccnc1 1799
CC(C)(C)OC(=O)CC(=O)O 395595
CSCC[C@H](N)C(=O)O 1532529
CCCC[n+]1ccc(C(N)=O)cc1 1726530
Nc1nc(S)nc(S)c1N 2023799
O=C(O)c1cccc(-n2cnnc2)n1 19090662
COC(=O)N1CCCC[C@H]1C(=O)O 19815948
C[C@@H]1CN2CCC[C@@H]2CN1 23162781
O=C(O)C1CC(F)C1 60122315
COC(=O)[C@H](O)CC(C)(C)C 61840723
COC(=O)c1ccc2nc(N)cn2c1 70635316
c1cc2nnnn2nc1NC1CC1 72117603
C[C@@H]1CC[C@H](CO)NC1 104604160
O=C1Cc2cc(O)ccc2CCN1 146441687
NCC[C@]1(O)C[C@H]2CC[C@H]1C2 238856563
O=C1[C@@H]2[C@H]3[C@@H](O)[C@@H]4[C@H]1[C@H]1C[C@@H]4[C@@H]3[C@@H]21 241132997
CC1(C)OCC(F)(F)[C@@H]1O 665887180
C=CC(=O)N[C@@H]1CC(=O)N(CCC)C1 1776007243
C1C[N@@]2C(C3CC3)[N@]2C1 1857524896
O=C(O)[C@@H]1CCC2(CCOCC2)NC1 1857781160
COC(=O)C[C@@H]1CC(F)(F)CN1 1857782040
O=c1nc(O)c2ccccc2o1 1098
CSc1nc(N)c2nccnc2n1 339530
O=C1CCC[C@@H]2O[C@H]12 1571653
COC(=O)C1CCC(N)CC1 1728277
COc1cccc(CO)n1 4352715
C[C@@H]1CC[C@H](O)[C@@H]1O 4577761
CC(C)c1[nH][nH]c(=O)c1CCN 12404873
CNC[C@@H]1CCCN(CCOC)C1 19088914
CCCn1ncnc1[C@@H](C)N 19091990
c1cn(C2CNC2)cn1 39073661
CC1(C)C[C@H](O)[C@@H](CO)C1 45071479
Cc1ncc(CN)n1C 45206338
OCc1c[nH]c(-c2cccnc2)n1 62820465
CC(=O)OCCN1CCCC1=O 71773217
OCc1ccncc1CO 81914896
Cc1noc(C(C)(C)CN)n1 124974656
C#CCOCCOCCC(=O)O 222188625
Nc1snc2nccnc12 224485041
CC1(C)CO[C@@H]1CN 238235033
COc1cnc(CN)c(C)c1 238405389
OC[C@@H]1[C@H](CO)[C@@H]2[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5[C@@H]41 247938394
O=C1C[C@H](C(=O)O)[C@H]2CCCC[C@H]2N1 250836579
Nc1cc(C(=O)O)ncc1F 307528664
CS(=O)(=O)N1[C@@H]2CCC[C@H]21 536951134
C[C@H](C(=O)N1CCC(=O)N1)C(C)(C)C 675070125
COC(=O)c1c(C=O)ccn1C 2325904078
C[C@@H](CO)CC[C@](C)(O)CO 1631197
COC(=O)c1cnc(Cl)cn1 2382585
CSc1nnc(C(F)F)n1N 2536954
CC(C)(F)C(=O)O 4255919
Cn1nnc(-c2cccc(N)c2)n1 14988503
CCNC[C@@H]1CCN(CC)C1 19091624
CCOC(=O)C1=C(O)CCN(C)C1 19884024
CC(C)(C)OC(=O)N1CC2(CNC2)C1 32914875
C[C@@H]1N[C@H](C)[C@H](C)N[C@@H]1C 35052418
Nc1cccc([C@@H]2CNC(=O)C2)c1 38363242
NC1CC(F)C1 68577113
NCc1cc(C(F)(F)F)[nH]n1 72209522
OCc1nccn2cccc12 95743285
CC1CCC(O)(CO)CC1 132777873
COc1cccc2c(=O)nc(N)[nH]c12 196679994
COC(=O)[C@](O)(CN)c1ccccc1 218776890
Nc1cnccc1-n1ccnn1 225571653
CC(C)NC(=O)NCC1(N)CCCC1 656474096
C=CC(=O)NC[C@H]1CCOC[C@H]1C 952884408
Cn1cncc1[C@@H](N)C1(O)CCC1 958528956
COC(=O)Cc1nc(N)sc1C 168175
CC(C)NC(N)=O 1652952
NC(=O)C1CCCC1 1747068
COC(=O)c1ccc(N)cc1O 2575235
NC(=O)N[C@@H](C(=O)O)c1ccccc1 3111988
OCCC1CCNCC1 4716361
CCOC(=O)CSC(=N)N 5315506
FC(F)(F)c1nnn[nH]1 6523903
Sc1ncc2[nH]cnc2n1 12955987
CCOC(=O)c1cnc(C)nc1 14593175
CNC(=O)C1(N)CCCCC1 19485965
CC(C)(C)N1C[C@H](N)CC1=O 20440507
CC(=O)N1CCC(C(=O)N(C)C)CC1 20443117
N[C@@H]1CNCc2ccccc21 20971893
Nc1cccc(CN2CCNCC2)c1 39115504
C1CO[C@]2(C1)CCNC2 82836203
O[C@H]1[C@H]2C=C[C@H]3[C@@H](O)[C@H]4C=C[C@@H]1[C@H]4[C@@H]23 101141713
Cn1nc(C=O)cc1Cl 143880301
CN(C)CC1(F)CCNCC1 212092934
CC(=O)NCc1ccno1 226265173
O=C(O)[C@H]1CC2(CCNCC2)CO1 238642633
CCc1cc(NC(C)=O)n(C)n1 306596437
CNC(=O)c1cc(CN(C)C)c[nH]1 1875321365
O=C(O)CSc1ncccn1 155904
CN1[C@H]2CC[C@@H]1CC(N)C2 158261
Cn1nc2c(c1C(=O)O)CCCC2 385079
CCCCO 1530354
CCOC(=O)C1(N)CCCC1 1700229
CC(=O)C1(C(C)=O)CC1 1705696
N[C@H](CCCCC(=O)O)C(=O)O 2169351
OC1CCN(C2CCNCC2)CC1 2559686
O=C1OC[C@@]2(c3ccccn3)C[C@@H]12 7498643
C[C@@H](N)Cc1ccncc1 11570830
CCOc1cc(N)nc(N)n1 12344003
Nc1nc2ccccc2c(=O)[nH]1 13514509
CC[C@H](N)c1cnn(C)c1 19090653
Cn1ccc(C=O)cc1=O 22199967
O=c1[nH]c(=O)c2ccsc2[nH]1 38890790
NCc1ncc(Cl)cn1 39052222
CC(=O)c1nccnc1N 39068775
COc1cc(SN)nc(OC)n1 39090315
CC[C@H]1C[C@@H]1N 39348468
c1nc(C2CCNCC2)no1 60393377
COC(=O)[C@H](N)c1cscn1 126503121
CCOC(=O)c1cn2[nH]ccc2n1 211343695
C[C@@H](C(=O)O)n1cnc(Cl)n1 223249918
C=CC(=O)N1CCC[C@H](C(=O)NC)C1 232280593
CN1CC[C@H]2NCC[C@H]2C1 238855930
C[C@H]1C[C@H](N[C@H](C)CO)C[C@@H](C)O1 238856207
COC(=O)[C@H]1CC2(CCC2)CN1 256049798
N[C@H](C(=O)O)C12CC(C1)C2 307177854
C[C@]12C=CS(=O)(=O)N1CCC2 1535404841
CC[C@H](N)[C@@H](C)CN(C)C 1857787378
NCCc1ccc(C(=O)O)nc1 2325893505
O=C(c1ccccc1)N1CCNCC1 235748
CCC(=O)COC(C)=O 393908
Cc1nn(CC(=O)O)c(C)c1C 873759
Cn1ccc(C(=O)O)n1 1088696
COc1ncc(F)cc1CO 2539943
NCC1CCC(C(N)=O)CC1 2541485
O[C@H]1CS[C@@H](O)CS1 3861334
CCCCN[C@@H]1CCS(=O)(=O)C1 3865818
COC(=O)c1ccnc(C(=O)O)c1 5915015
COc1cccnn1 6424941
CCOC(=O)c1cc[nH]n1 18161725
c1cc(C2CCNCC2)n[nH]1 19685960
NCc1cccc(C(N)=O)c1 19722424
O=C(O)c1ccn2c1[C@@H](C(=O)O)CC2 21299893
c1cnc2ccnn2c1 35975549
CCOC(=O)c1cccn1N 39057702
CC(=O)CCN1CCN(C(C)=O)CC1 40571952
CN(CCO)CCOc1ccccc1 49633606
CCOC(=O)c1cc[nH]c(=O)c1O 91693051
Cn1ncc2nc(Cl)nc(O)c21 97757493
COC[C@@H]1CCCCNC1=O 159835754
C1N[C@H]2CSC[C@H]1C2 213560010
CC1(C)[C@H](O)[C@H]2CCO[C@H]21 216330103
C=CC(=O)N[C@@H]1CCOC[C@H]1C 301036604
CC(C)[C@H](N)[C@]1(O)COC(C)(C)C1 958527978
C[C@@H](C[C@@H](N)C(=O)O)C(F)(F)F 1580835
CN(C)C=S 1594591
CCO[C@H](O)C(F)(F)F 1692441
CC(C)OCCN 2556906
COc1ccccc1[C@@H](N)CO 12404645
Cc1noc([C@@H]2CCCN2)n1 19089597
CN1CCN(C)C1(F)F 19321006
CNCC1CC1 20037429
Cc1nnc(CN)s1 26461330
COC(=O)[C@H](N)C1CCSCC1 35629961
COC[C@H](C)CN 36678251
COC(=O)[C@@H]1CNC[C@H](C)C1 39088039
O=C(O)c1cnn2c1CCC2 40435252
CNC(=O)c1cccc2c1OCCO2 70191248
O=[S@@](O)c1cccc2nonc12 150202212
CC1=C(O)[C@@H](C)OC1=O 169611425
O=C(O)[C@@H]1[C@H]2[C@H]3C[C@H]1C(=O)[C@@H]23 239433958
CC(C)[C@@H]1CNC(=O)[C@H](C(=O)O)C1 521400548
NCC[C@@H]1CCN(Cc2ccon2)C1 723702184
C[C@H](C(=O)NOC[C@@H](C)O)C1CC1 1776000002
NC(=O)CCn1nnc2ccccc21 180627
O=C1C[C@@H]2C=CC[C@@H]2O1 391835
NC(=S)c1cnco1 2527142
CCN1CC[C@H](CNC)C1 2559651
O=c1ncc(Br)c[nH]1 4002614
C[C@H]1CCCCN1CC(=O)O 4504104
OC[C@H]1CCCN1CC1CC1 5816960
Cc1cnc(=O)[nH]c1 14982937
NNc1ncc(Cl)cn1 26441083
CCCC(C(=O)OC)C(=O)OC 32149507
CC1(C)OC[C@@H](C(=O)O)O1 38282072
Nc1ncc(F)cn1 39053763
CSc1nccc(CO)n1 98179505
N[C@H]1C[C@H]2CC[C@H]1O2 100447574
O=C(O)C1CC(n2cccn2)C1 504101811
C=CC(=O)N1CCOC[C@@]12CCOC2 863970647
CN(C)c1nccc2c1CCNC2 1535642230
CC(C)N1C[C@](C)(CN)C1=O 1535646270
O=C1C=CC(=O)N1Cc1ccco1 1606293
O=Cc1cn[nH]c1 2738050
O[C@H]1C=C[C@H](O)CC1 3860564
COc1c(N)ncnc1Cl 5732318
O=C(O)c1ccon1 13483535
O=C(O)CCc1cn[nH]c1 19090129
COC(C[C@H](C)O)OC 33506468
c1cnc(N[C@H]2CCCNC2)nc1 40434331
C[n+]1cccc(O)c1Br 43409593
Nc1nc2ccc(F)cn2n1 68593758
Cc1ccnnc1C(=O)O 71611195
O=C(O)c1ccn2cnnc2c1 72109423
Nc1n[nH]c2ncc(F)cc12 72193740
CC(=O)C(F)C(C)=O 100038524
CCOC(=O)C1[C@H]2CC(O)C[C@H]12 100676285
CCOC(=O)c1oc(CN)nc1C 168200546
CC(=O)N1CC2(CCNCC2)C1 218756375
C[C@@]1(C(F)(F)F)COCC(=O)N1 306640866
O=C1CCC2(CCNC2=O)CC1 584624981
CNC1CCC(C)(N)CC1 885231229
CS(=O)(=O)[C@H]1CCCCCNC1 1536221810
COC(=O)c1ccc(C(=O)O)nc1 16086
CCOC(=O)c1ccc(CN)o1 31836
CC(C)(CN)C(=O)O 1664631
N[C@@H](C(=O)O)[C@H](O)c1cccs1 1702614
CC(C)NC(N)=S 1995199
N[C@H]1CCCOC1 4344060
N[C@@H]1CCc2ccccc2[C@H]1O 8699422
Cc1cnc(CN)o1 11587002
COC(=O)c1ncoc1C 12471783
CCN1CCC[C@H](N)C1 19369225
O=C(O)c1ccn2nccc2n1 20357949
COc1cccc2c(=O)[nH]cnc12 26894412
CCCC(=O)N1CCC(NC)CC1 37653803
O=C1CCNCC[C@H]1F 97759020
O=C(O)C1(O)CC(F)(F)C1 116920620
CCOCC[S@@](=O)O 162530656
Nc1ncn(C2CC2)n1 211618720
CCOC(=O)[C@@]1(CN)C[C@H]1C1CC1 238797759
CO[C@@H]1[C@H]2C[C@@H]3CN[C@H]1[C@H]3C2 238855902
CCCC(=O)NCCc1cncnc1 238870737
COCCn1cncc1N 255187900
O=C1CS[C@H](C(F)(F)F)CN1 306722267
C1C[C@]23CNC[C@]2(C1)COC3 1535421252
N[C@H]1C[C@H](Cn2cccn2)C1 1536220550
COC(=O)C1CC2(CNC(=O)C2)C1 1772717501
CN(C)CC1CC(C(=O)O)C1 1857783127
Cn1nnc2cc(CO)ccc21 158987
CN(C)C[C@@H](O)COc1ccccc1 282145
CCCCOP(=O)(O)O 1673626
N[C@H]1c2ccccc2C[C@H]1C(=O)O 1756953
O=C(O)c1nccs1 2389520
Cn1cc(-c2cc(C(=O)O)on2)cn1 2538059
CN(C)[C@H]1CCC[C@H]1O 5965198
CSc1nc(C)cc(NN)n1 19091249
c1cc([C@@H]2CCCN2)[nH]n1 19686274
c1nnc(C2CCNCC2)[nH]1 42040914
C[C@H]1CN(C2CNC2)C[C@H](C)O1 54931378
CC[C@]1(CO)CCNC1 78676082
Cc1nc(-c2ncccn2)no1 96171151
CN1CCCn2nc(C(=O)O)cc2C1 238306716
CO[C@@](C)(CO)C1CC1 238375561
COC[C@@H]1C=CCN1 307410084
O=C1C[C@@H](OC(=O)c2ccccc2)N1 155719
CNC(C)C 1587810
Nc1cc2c(cc1C(=O)O)OCO2 3888941
COC(=O)[C@H]1SCCC1=O 5224401
NC[C@H](CO)Cc1ccsc1 12505534
NCCNC(=O)c1ccccc1F 13834258
Cc1cnc(C(=O)O)[nH]1 19093618
c1ccc(O[C@@H]2CCNC2)nc1 35090169
NC1CC(F)(F)C1 38540879
C1CC2(CCN1)CCNC2 44138075
NCc1cncn1C1CC1 49584949
O=C(O)c1cnco1 49632635
Cn1nc(Cl)nc1N 67425121
C[C@@H]1CCNCC[C@H]1O 76572458
CN(C)[C@@H]1CCC[C@H](O)C1 86601793
COC(=O)[C@@H]1CNCC(F)(F)C1 95627138
CN(C)CCC1CNC1 129464650
COc1cnc(CO)c(F)c1 169620385
O=[N+]([O-])C=C1CCOCC1 196480171
CNc1ncc(C(=O)O)o1 257887768
OC[C@]1(c2ccccn2)CCNC1 258804193
COC(=O)[C@@H]1CCN1CCF 307757880
C[C@H]1OCC2(CCNCC2)[C@H]1N 713339172
C[C@H]1CCn2ncc(C=O)c2N1 1772769824
C[C@@]1(C(=O)O)CC=CCO1 1857783001
O[C@@H]1C[C@H]2CC[C@@H]1[C@H]1CNC[C@H]12 1857783173
C1CN[C@@]2(C1)CN1CCC2CC1 1857783177
CC(CCO)CCO 391230
CSCC[C@@H](NC(C)=O)C(=O)O 1529502
OC1CC=CC1 1721045
CC(=O)OCC(F)F 2539797
CC[S@](=O)CCSC(=N)N 4141710
F[C@@H]1CCCNC1 4264639
Cc1ccn([C@@H](C)CN)n1 20104074
CCC1=NO[C@@H](CN)C1 21953379
COC(=O)c1cncc(C=O)c1 35569839
COc1ccc(CNC(C)=O)cn1 70225278
Nc1nc2c(s1)CC(=O)CC2 75556382
COc1ccc2c(=O)[nH]nnc2c1 114748574
O=C1N[C@H]2C[C@H]1[C@H]1C[C@H]21 212109938
O[C@@H]1CC[C@]12CCNC2 238667288
COc1ncc([S@](=O)O)cc1C 1535370285
C[C@H](N)C1(n2ccnn2)CC1 1775955362
N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)O 1857778946
O=C(CO)OCc1ccccc1 395587
CCS(=O)(=O)C(C)C 2510029
CCn1ccc([C@H](C)N)n1 2537542
Cc1nn(C)cc1[C@H](C)N 2731886
CC(=O)N1CCC[C@@H](C(=O)O)C1 4218540
O=C(O)[C@@H]1Cc2cc(O)ccc2CN1 4262324
Clc1ccc(N2CCNCC2)nn1 4502282
O=C(O)c1c[nH]c(=S)[nH]c1=O 5248443
N=C(N)N1Cc2ccccc2[C@H](O)C1 6117321
CCNCc1noc(C)n1 19089793
O=C(O)[C@@H]1C[C@H]2CCC[C@H]2N1 21984134
CC(C)(C)[C@@](C)(N)C(=O)O 39072817
C[C@H]1CC(=O)C[C@H](C)S1(=O)=O 45027587
Nc1ncnn1-c1ccccc1 48643308
N[C@H]1C[C@H]2C=C[C@H]1O2 141298989
C1C[C@@H](CC[C@@H]2CCNC2)CN1 238030122
COc1cnn(Cc2nonc2C)c1 585122994
COc1c(C)n(O)ccc1=O 725349486
COC(=O)/C=C(/C)c1cc[nH]n1 757192139
NC[C@H]1CCC2(CCC2)[C@@H]1O 1536221848
O=C(O)CCC(=O)N1CCCCC1 294579
Cc1nn(CC(=O)O)c(C)c1N 2537420
COC(=O)CCN1CCCC1 5700852
O=C(O)c1ccc(C[n+]2ccc[nH]2)o1 6452915
CCn1cc2nc[nH]c(=O)c2n1 12395071
CC[C@H]1NCCCC1=O 12650041
CC1(C)CCNC1=O 13755860
CN1CCCC[C@@H]1C(CO)CO 15781493
CC(C)Cc1noc(CN)n1 19088032
CN(C)CC(C)(C)N 19366927
NC[C@H]1CC[C@H](O)C1 34235202
CON(C)C(=O)C1CC=CC1 35633095
C[C@@H](CN1CCCC1)C(=O)O 35759269
Cc1nc(C(=O)O)co1 49538689
Cn1cc(C=O)c2cncnc21 76593875
COC(=O)c1cc(Cl)n[nH]c1=O 82046834
Nc1nnccc1Cl 117451708
C[C@@H]1C(=O)Nc2ccnn2C1=O 158752884
CO[C@@H](C[C@H](N)C(=O)O)C1CC1 334163765
Cn1ncc(CC(=O)O)c1C(F)F 714774689
N[C@@H](c1ccsc1)C1(O)COC1 958527793
COC(=O)[C@H]1CNC2(CCOCC2)C1 1772717188
Cc1nnc(S)n1CCCN 1775954886
C=CC(=O)N1CC(c2ncon2)C1 1776004171
FC1(F)[C@@H]2CCNC[C@]21F 1875347819
CSc1nc2nccc(N)n2n1 93644
CNC[C@H](O)COCc1ccco1 530598
COC(=O)C[C@@H](C)CC(=O)O 1767979
O=C1CCS(=O)CC1 2028250
O=Cc1cnccn1 2391857
OCCNc1nccnc1Cl 2509367
CCOC(=O)c1nnc(N(C)C)o1 5334126
CCNC(=O)[C@@H](N)C(C)C 19519234
c1cnc2c(c1)NCCO2 24190277
NC12CC(C1)C2 66351478
COc1cc(C=O)c(OC)c(OC)n1 77011232
COC(=O)[C@@](C)(N)C(C)(C)C 97756975
O[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 100437637
CN1C(=O)CC[C@H]2CNCC[C@@H]21 161633975
CC(C)(CO)[C@H](N)C1CC1 225514028
CC(C)NC(=O)N[C@H]1CC[C@@H](N)C1 259247906
CC1(C)C[C@@H]1C(=O)NCc1c[nH]nn1 306623598
CN1C[C@H]2CCC[C@@H](CC1=O)N2 409421858
O=C(O)Cn1cc([C@@H]2CCOC2)cn1 1535642482
O=C(O)c1cc2c(o1)CCCNC2=O 1535646142
C[C@@H](C(=O)NCc1cnon1)C1CC1 1615587412
Cc1nccc(N)n1 333686
C[n+]1ccc(CS(C)(=O)=O)cc1 398528
Oc1n[nH]c2ncccc12 1715820
CC1(C)C[C@@H](C(=O)O)C(=O)O1 1716481
CNC(=O)C1CC1 3131038
CC(C)=CC(=O)NCC(=O)O 5158496
C[S@@](=O)Cn1nnc2ccccc21 5530342
O=C(O)CCCNc1ncccn1 13536177
O=C1Nc2cccc(F)c2C1=O 15206715
CCn1ccnc1CNC 19088671
CC[C@@H](C)NN 19387004
CCOC[C@@H](C)N 19735451
CCOC(=O)N1CCN(C)CC1 23379482
Cc1cnc(C(=O)O)nc1 26461415
CC(C)Oc1cc(=O)c1=O 38312155
OC1CC2(COC2)C1 91364344
NC[C@]1(c2ccccc2)COCCO1 149547870
CC(C)c1noc([C@H]2C[C@@H](O)CN2)n1 163670409
COC(=O)c1ccc2cn[nH]c2n1 238408431
Cn1[nH]c(N)c(-c2ccccc2)c1=O 245197917
COC(=O)c1oc(CN)cc1C 536949491
C[C@@H]1CN(CC2CC2)C(=O)CCN1 601012694
CC1(C)OC2(CO)CC1(C(=O)O)C2 1536220469
C[C@H]1C[C@@H](CN)CCS1(=O)=O 1772716930
Cn1ncc2c1CNCCC2 1772717303
C[C@@H](CN(C)C)NC1=NCC[C@@H](C)N1 1775996645
O=C1N[C@H]2C(C(F)(F)F)=C[C@H]12 1857785549
CNC(=O)c1[nH]nc2ncccc12 2325816045
Cc1cnc(N)c(C)n1 153135
Cc1ccc(C(=O)O)c(C(=O)O)n1 389639
CN(C)CCOc1ncncc1F 392059
CC(C)(C)OC(=O)CCO 2541737
CNC(=O)c1cnc(C)cn1 4290642
CCCNOCCC(C)=O 4582911
C[C@H]1CCO[C@@](C)(CO)O1 4794077
O=C(O)c1cccc(-n2cncn2)c1 12370240
O=C1NCCN[C@@H]1c1cccc(F)c1 19088700
Nc1ncccc1F 19616068
OCCCNc1ccccn1 20561955
C[C@]1(CO)CCCN1 32228339
COC(=O)N1CCC(=O)[C@@H](C)C1 33506183
COc1ccc(C(=N)N)nc1 71186675
COCCn1ccc2cc[nH]c(=O)c21 71417456
NC1(CC(=O)O)CCC1 72266515
CCOC(=O)[C@@]12C[C@H]1C(C)(C)OC2=O 101617396
OCC12CC(F)(C1)C2 142730220
CC[C@H]1C(=O)Nc2ccnn2C1=O 158753571
COC(=O)c1cnc2[nH]ccc2n1 206023379
O=C1N[C@@H](C2CC2)C12CCOCC2 238853718
O[C@@H]1[C@H](O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 245228069
O=C(O)COc1ccc(F)nc1 307003061
CCO[C@@H]1C[C@@H](N)[C@@H]1SC 307248788
O=C1C[C@H]2[C@@H](CN1)C2(F)F 1535543658
C[C@@](N)(CO)CC(F)F 1536092096
F[C@@H]1C[C@H]2CNC[C@H]1C2 1857779291
C=CC(=O)NCCC1=CCN(C)CC1 1875367320
O=C(O)[C@@H](CO)c1ccccc1 281902
CN1CCC2(CC1)OCCO2 1585378
C[C@H]1CCC(=O)NC1=O 2011499
CCOc1cnccn1 2560521
COC(=O)c1cc(CN)ccc1OC 3887390
C[C@H]1Oc2ccc(N)cc2NC1=O 3888909
O=C([C@H]1CCCCN1)N1CCCC1 4287469
N[C@H](C(=O)O)[C@H]1C=CCCC1 4411147
N[C@H]1CCc2ccccc2[C@H]1O 8699421
O=C(O)[C@H]1CC12CCOCC2 52126672
CC(=O)CCn1nc(C)ccc1=O 71773367
c1nc2c([nH]1)CCNCC2 95635494
OC1[C@H]2C=C[C@H]1[C@H]1C=C[C@H]2C1O 100993599
OC[C@H]1COc2cccnc2O1 141242321
CN1CCC[C@H]1c1cc(C(N)=O)n[nH]1 895598911
CC(=O)N(C)C[C@@H]1CCN(C)C(=O)C1 2325899873
O=C(O)c1cc(Cl)c[nH]c1=O 127220
Nc1cnccc1C(=O)O 165882
C[C@@H](N)C(=O)c1ccco1 235786
CCOc1cnc(NC(C)=O)nc1 392455
CC[C@@H](C)[C@H]1NC(=O)NC1=O 449364
CC(=O)CCCO 1562396
C[C@H]([C@@H](N)C(=O)O)C(F)(F)F 1580832
NCCc1nncs1 2019754
CCN(CC)C[C@H](O)COC 2275244
Cc1ccnn1CCN 4226685
NCc1ccccc1-n1cncn1 4343560
Cc1ccc([C@H](O)CN)cc1 11802863
Cc1cc(C(=O)O)c(=O)n(C)c1C 21953252
Cn1ncc2c1CCNC2 26056887
Cc1oc(=O)oc1CO 38972853
CC(C)(NC(=O)C1CCC1)C(=O)O 40909389
C1CC2(CCN1)CCOC2 66340087
FC1(F)C[C@H]2CNC[C@@H]21 104581396
C[C@@H]1CC(C)(C)[C@H](CN)[C@H]1N 106896515
Cc1cc(C)n2nc(O)nc2n1 141547948
O=C(O)Cn1cnc(C(F)(F)F)c1 148544865
COC(=O)c1nc(O)sc1C 167690642
Nc1cc([C@@H]2CCOC2)no1 202740754
C[C@@H]1[C@H](O)[C@H]2[C@H]1C(C)(C)S2(=O)=O 216343409
C=CC(=O)N[C@@H](C)c1nc(C)n[nH]1 306669701
COC[C@H](N)[C@@]1(O)CCCSC1 958528842
NC1CC2(C1)[C@H](C(=O)O)C2(F)F 1535543587
NCC1(c2nocc2C(=O)O)CC1 1536220451
N[C@H]1C[C@@H]2OC(=O)O[C@@H]2C1 1775955451
O=C(O)[C@@H]1CC[C@@H]1c1nc(S)n[nH]1 1857780003
C[C@H]1C[C@H](CCN)CCN1 1875367391
Cn1nc(C=O)nc1C(F)(F)F 2325904033
COc1ccc(N)cn1 404286
O=C(O)c1cccc(OCCO)c1 1722956
N[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 2512462
CC=C(C(=O)OC)C(=O)OC 2567995
CC[C@@H](C)[C@H](NC(C)=O)C(=O)O 3123567
CO[C@](F)(C(N)=O)C(F)(F)F 3123723
CC(=N)SCCCS(=O)(=O)O 3130491
CCOC(=O)[C@H]1C[C@H]1F 15442312
CC(=O)Cc1cnccn1 19088351
C[C@H](CCC(=O)O)N1CCOCC1 19089038
NCC1(Cn2cccn2)CC1 19091840
CNC[C@@H]1CCOC1 22561998
O=C1NCc2cnccc21 25923564
COC(=O)CC[C@@]1(C)CCC(=O)N1 71773431
CN(C)[C@@H]1CCCC[C@H]1N 95079628
NCCC1CCC(N)CC1 96029561
Cc1cnn2ccc(C(=O)O)nc12 202296125
CCOC(=O)Cn1ccnc1N 216876229
CC(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 225575267
C=CC(=O)NC[C@@]1(C)CCOC1 306578918
CN(C)[C@@H]1CCNC2(CC2)C1 1536220435
[O-][n+]1c(CO)ccc(O)c1Cl 1857795695
C[C@@]1(c2ccccc2)NC(=O)NC1=O 119710
Nc1cc(O)cc(O)c1 157870
COC[C@@H]1CCCN1C=O 388702
CCCn1nccc1N 801646
CSc1nccnn1 967360
CC[C@H](C(C)=O)C(=O)OC 2382614
c1cnc(OC2CCNCC2)nc1 2513135
OC[C@@H]1CC2CCN1CC2 5134177
NCc1ccc(-n2ccnc2)nc1 9318761
CCOC(OCC)N(C)C 21989051
NC[C@@H](C(=O)O)c1ccccc1 26895673
c1cc([C@@H]2CNCCO2)ccn1 28531662
C[C@H](CCN)n1ccnc1 34195723
CCOC(=O)[C@@H](N)c1ccncc1 34868678
C1NCC2CC1C2 47845126
C1COC[C@]2(C1)CCN2 78715319
NCc1ncc2cc[nH]c2n1 82408770
CC(=O)N[C@@H]1C(=O)Nc2ccccc21 100709557
CC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 238146226
CCN[C@@H]1COC[C@H]1OCC 252536274
COC(=O)c1ccc([C@@](C)(N)CO)o1 1535680117
COC[C@H]1CCOCCN1 1772717361
COC(=O)[C@@H]1[C@@H]2CC[C@@]1(C(=O)O)C2 1857782933
CN1C[C@H](CO)Cc2nccnc21 2080384071
N=C(N)c1ccc(C(N)=O)cc1 105171
C[C@H](CN)Oc1cccnc1 2513186
c1nc([C@H]2CCNC2)c[nH]1 3793868
COc1cccc([C@@H](N)C(=O)O)c1 4203231
CNS(=O)(=O)c1ccc(O)cc1 5700659
O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 13815136
COC(=O)[C@@H]1CCCC[C@@H]1N 20216341
Cc1ncn(CC(=O)O)c1C 20446253
CC(C)CN1CCNC[C@@H]1CCO 22917416
OC1CCN([C@H]2CCSC2)CC1 23550025
CCC[C@H]1CN[C@H](C(=O)O)C1 34268259
COc1cccc([C@H]2CNCCN2)c1 38533176
CCc1cnc(=O)[nH]c1 39053020
C[C@H]1OCC[C@H]1N 39118112
Oc1nncs1 39302475
NC1=N[C@@H]2CC[C@H](N)C[C@@H]2S1 39937017
NC12CCC(N)(CC1)CC2 88189456
Nc1ncn(-c2cc(Cl)ncn2)n1 95830732
O=C1[C@H]2C[C@@H]2C2(OCCO2)[C@H]2C[C@@H]12 101048356
Cc1noc([C@@H](N)C2CCOCC2)n1 170086195
O=C1N[C@H]2C3[C@H]4C=CC(C=C[C@@H]34)[C@@H]12 222043119
CN1CC(C)(C)[C@H]1C(=O)O 238329927
C=CC(=O)NCc1snnc1C 238525400
CCOCn1ncnc1Cl 253414727
Cc1cc(Cn2ccnn2)no1 307710327
CN(C)C1CCNCC1 393639
O=CNCCc1ccccc1 1562004
NC(=O)C(F)(F)Br 4566219
CSc1nsc(N)n1 8652418
CC[C@](C)(N)CO 12404636
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@H]21 16697148
CC[C@H](COC(C)=O)OC 34424008
NNc1ccc(F)cn1 36226165
CCOC(=O)Cc1ccc(N)c(N)c1 39365480
Cc1cc(CN2CCNCC2)n[nH]1 52860987
COC(=O)c1cc(C)cnc1N 59268926
CCNc1nccc([C@H]2CCNC2)n1 63772363
Nc1nc2ccc(Cl)cn2n1 82164641
O=C1[C@H]2C=C[C@@H]3C(=O)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23 101921173
CC(C)O[C@H]1OC[C@H]2CO[C@@]1(C)O2 104111062
N#C[C@@H]1C[C@@H]1C(=O)O 118355471
CC1(C)CN(C2COC2)CCN1 167470175
C[C@@H]1NCC[C@H]1N(C)C 199676274
COC(=O)[C@H]1CCN[C@@H]1C(C)C 209552828
Cc1c(C(N)=O)nc2ccccn12 217779845
