COC1=CC=CC(B(O)O)=C1C(=O)N(C(C)C)C(C)C	3200969
NC1=CNC2=C1C=CC=C2	4002248
O=CC1=NOC=C1	4002199
O=C(O)C1CC12CCC2	4003535
CCCC1=NNC=C1C(=O)O	4012184
CCC(N)C1=CC=C(F)C=C1	4012664
COC[C@H]1CCC[C@H]1N	4015666
O=C(O)C1=CN=CN1	4017295
COC(=O)[C@@H]1[C@H](N)CCN1C(=O)OC(C)(C)C.Cl	4108193
OC1=CC=C(Br)C2=CC=CN=C12	4023291
CN1CCN(C2=C(N)C=CC=C2Cl)CC1	4023323
CN(C)C(CN)C1=CC=CS1	4028712
CNC1(C)CCS(=O)(=O)C1	4100790
NC1=C2N=C(C(=O)O)C=CC2=CC=C1	4142071
OB(O)C1=CC(C2=CC=CC=C2)=NO1	4201613
COC(C)(C)CCC[C@@H](C)C(=O)O	5106484
O=C1NC(C(=O)O)CO1	4402671
COC1=CC=CC(N)=C1Cl	5107585
CC1=NC2=C(C=CC=C2)C(=O)N1C1=C(C(=O)O)C=CC=C1	5877923
CC1=CC=CC(CN2CCNC(=O)C2CC(=O)O)=C1	9031832
CN(C)C1=NC=C(N)C=C1	4030006
NC1CC(O)C1	4029941
CCC1CCCN1	4031112
C1=CC=C2C(=C1)CCC21CCNCC1	4031329
CN1C[C@H](N)[C@@H](O)C1	4032441
CNCC(=O)N(C)C	4033064
NN[C@@H]1CCCC[C@H]1O	4032746
O[C@H]1CNC[C@@H]1F	4034089
O=C1NCCNC12CCNCC2	4036130
O=C(O)C1CCCN(S(=O)(=O)C2=CNC=N2)C1	3020123
CC1=CC=C2NC3=C(CCCC3=O)C2=C1	3020221
CC1=NC([N+](=O)[O-])=CN1	3020222
O=C(O)CC1=NC(F)=C(F)C=C1F	3020226
CC1=NN(C)C(N)=C1	3020235
NC1=NN(C2=CC=CC=C2)CC1	3020251
COC1=NNC(C(=O)O)=C1[N+](=O)[O-]	3020254
CC1=C(/C=C/C(=O)O)C=NN1C	3020256
O=C=NC1=CC=CC(Br)=C1	3020272
CC1=CC(N=C=O)=CC=C1	3020275
O=C=NC1=CC=C(Br)C=C1	3020276
CC1=CC=C2C(C(C)C)NCCN12	3020260
CCC(=O)NC1=CC=C(S(=O)(=O)Cl)C=C1	3020266
CN1C(=O)C2=CN(CCBr)C=C2N(C)C1=O	3020003
CC1=NN(CCC(C)C)C(C)=C1Br	3020024
O=C(O)C1=C(C2=CC=CC=C2)OC=N1	3020061
O=C1C=C(O)C2=C(C=CC=C2)N1	3020069
O=CC1=CC=C2NC=CC2=C1	3020077
O=CC1=CC=C2C=CNC2=C1	3020078
O=C(O)CC1=CSC=C1	3020079
O=C(O)C1=C(O)N=C(O)N=C1	3020080
CC1=CC=C(C(=O)O)C=N1	3020084
NC1=NC=C(C(F)(F)F)C=C1	3020089
O=C(O)C1=CC=C2NC=CC2=C1	3020093
CC1=NN(C)C=C1C1=NOC(C)=C1C(=O)O	3020098
CC1=CC=C(C2=NOC(N)=C2)C=C1	3020102
CC1=CC=CC(C2=NOC(N)=C2)=C1	3020103
N#CC1(C(=O)O)CC1	3020105
CC1=C(CCO)C(=O)NC(N)=N1	3020108
O=C(O)C1CCCN(S(=O)(=O)N2CCCC2)C1	3020116
CC1CCCCC1N(C)C1CCNCC1	3020117
CC1CCCC(N(C)C2CCNCC2)C1C	3020118
O=C(O)C1CCN(S(=O)(=O)C2=CNC=N2)CC1	3020122
O=S(=O)(Cl)CC1=CC=C(Cl)C=C1	3020401
CC1=CC2=C(C=C1)N(C)C1=C2CCCC1N	3020406
COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1	3020407
NCCCN1CCCCCC1	3020429
CC1CC(C)CN(CCCN)C1	3020431
CCC(Br)C(=O)N1CCCC1	3020433
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)Cl)=CC=C2O1	3020447
OCC1CCCN1	3020449
CCCNC(=O)CCl	3020452
CC(C)NC(=O)CCl	3020453
CCC(Br)C(=O)NC(C)C	3020454
CC1CCCN(CC2CCNCC2)C1	3020455
CC1NC(C(=O)O)CC2=C1NC1=C2C=CC=C1	3020461
O=CC1=CC2=CC=CC=C2OC1	3020462
CC1=C(F)C=C(N=C=O)C=C1	3020289
COCCN1C(C)=CC(C(=O)O)=C1C	3020291
CC1=CC(N=C=O)=CC=C1Br	3020293
CC1=CC(C)=C2NC(=O)OC(=O)C2=C1	3020483
CN1C=C(C=O)C2=C1C=CC=C2	3020306
CN1N=C(C2=CC=CC=C2)C=C1N	3020318
CC1=CC(C)=C(C(N)CC(=O)O)C=C1	3020324
OC1(C2=CC=C(Cl)C=C2)CCNCC1	3020334
CC1=CN(CC2=CC(C(=O)O)=NO2)N=C1	3020336
CN(C)C1=CC=C(C=O)S1	3020346
CCCNC(=O)CN1CCNCC1	3020349
CCOC(=O)CC(=O)C1=CC=NC=C1	3020351
O=C(CN1CCNCC1)N1CCCCC1	3020353
CN1CCN(C(=O)CN2CCNCC2)CC1	3020357
CCN1N=C(C)C(CNC)=C1C	3020361
O=S(=O)(Cl)C1=CC=C(F)C(Cl)=C1	3020378
CCCC1=CC=C(S(=O)(=O)Cl)C=C1	3020383
CC(=O)N1CCC2=C(C1)SC(N)=C2C#N	3020384
CC1=CC=NN1	3020386
NC1=NN2C(=NN=C2C(F)F)S1	3020390
CCN1N=CC([N+](=O)[O-])=C1C(=O)O	3020394
CN1N=C(Cl)N=C1Cl	4040309
CN1CCCC1C(=O)O	4041136
C1CC2(CCN1)CCOCC2	4038196
CC(C)(C)OC(=O)N1CCOCC2(CNCCO2)C1	4038868
CN1CCC2(CCNCC2)C1	4036519
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H]2C(=O)O	4042350
CN1CCCCC(N)C1	4036522
CC(C)N1CC2(CNC2)C1	4037903
CN1CC2(CNC2)C1	4039422
Cl.O=C1NCC2(CCNC2)O1	4039556
NC1=NC=C2C=CC(Br)=CC2=C1	4045200
C[C@@H]1C[C@H]1N	4045459
O[C@H]1CNC[C@H]1O	4045291
O=C1CCOCC1O	4045729
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C	4037110
Cl.NC[C@H]1C[C@H](CO)C1	4038195
CC(C)[C@@H](O)CN.Cl	4038006
Cl.O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2	4038316
CC[C@H](O)CN.Cl	4038369
Cl.NC[C@H]1C[C@@H](CO)C1	4038760
Cl.OC[C@@]12CC[C@@H](CNC1)[C@@H]2O	4042193
C[C@H]1CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C	4038956
CC(C)[C@H](O)CN.Cl	4038978
C[C@@H]1NCCN[C@@H]1C.Cl.Cl	4039608
C[C@@H]1CN(C)CC[C@H]1N.Cl.Cl	4051158
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C=O)[C@@H]2C1	4052448
CC1(C)OB(C2=COCCO2)OC1(C)C	4052968
CN(C)C[C@H]1[C@H]2CNC[C@H]21.Cl.Cl	4052386
CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)O	4054303
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1N.Cl	4053754
CN1C[C@H](N)[C@H](O)C1.Cl.Cl	4055523
CC1=C(B(O)O)N2N=CC=C2C=C1	4053516
CC(C)(C)OC(=O)NC1CCC2(CCNC2)CC1	4053517
CN1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)CC1=O	4055272
Cl.Cl.N[C@@H]1CCCN2CCC[C@@H]12	4057285
CC(C)(C)OC(=O)N[C@H]1CNC[C@H]1O.Cl	4057893
Cl.N=C(N)C1CCOC1	4056763
Cl.OC[C@@H]1C[C@H]2CNC[C@H]2O1	4056334
C[C@@H]1C[C@H]2CNC[C@H]2O1.Cl	4059315
C1C[C@H]2O[C@@H]1[C@H]1CNC[C@@H]21.Cl	4059486
CC(C)(C)OC(=O)N1C[C@@H]2NCCO[C@@H]2C1.Cl	4059040
Cl.NCC[C@H]1C[C@H](O)C1	4060130
CN(C)[C@H]1CNC[C@H]1O.Cl.Cl	4058951
CN1C(=O)CO[C@H]2CNC[C@@H]21	4058083
Cl.Cl.NCCC1=CN=C(N)C=C1	4062412
CC(C)(C)OC(=O)NC1CCC2(CCNC2)CC1	4062247
CO[C@H]1C[C@@H](C(=O)O)C1	4064347
Cl.O=C(O)[C@@H]1C[C@@H]2CC[C@H](C1)N2	4064062
Cl.OC[C@H]1C[C@H]2CNC[C@H]2O1	4065823
CC(N)C1=CN=CS1.Cl.Cl	4067163
Cl.NC1CCC2(CC1)CNC(=O)C2	4067314
O=CC1=CC=CC2=C1NC(=O)N2	4068311
C[C@@H]1CN(C)CC[C@@H]1N.Cl.Cl	4068653
CN1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)CC1=O	4069685
CCOC(=O)C1CC2(CCNCC2)CN1C(=O)OC(C)(C)C.Cl	4071541
Cl.N[C@@H]1CC[C@H](O)[C@@H]1O	4071572
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)O)[C@@H]2C1	4070999
CN1C(=O)CO[C@@H]2CNC[C@@H]21	4071900
CO[C@H]1C[C@H](O)C1	4071768
Cl.O=C1CO[C@H]2CNC[C@@H]2N1	4074762
CN1C[C@H](C(=O)O)NCC1=O.Cl	4074530
Cl.N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1	4075444
CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl	4078364
CN1C[C@@H](C(=O)O)NCC1=O.Cl	4076921
Cl.O=C1CN[C@@H](C(=O)O)CN1	4080507
Cl.N[C@H]1C[C@@H]2CC[C@H]1C2	4079633
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N.Cl	4082515
NCC1CC(CO)C1	4085473
CC(C)(C)OC(=O)NC1CCC2(CCNC2)CC1	4085484
COC(=O)CN1CCNCC1=O	4087851
O.O.O=CC1=NC(C2=CC=CC=C2)=NO1	4087859
CC1=NC2=CC=CC(B(O)O)=C2C=C1.O	4003240
CC1=C(CCN)SC=C1.Cl.O	4004137
CCC1CNCCN1C.Cl	4088039
Cl.NCC1=NC=NN1	4087748
C1=CC2=C(CCNC2)S1.Cl	4006110
NC1=NC=NC(O)=C1N.O=S(=O)(O)O	3020215
CCOC(=O)CC(N)C1=CC=CS1.Cl	3020230
NCC1=NN=NN1	4087792
C1=NN=CN1C1CCNCC1.Cl	4087942
CC1(N)CCC1.Cl	4087943
COC1=CC=C2C(CCN)=CNC2=C1.Cl	3020417
C1CNC(C23CC4CC(CC(C4)C2)C3)C1.Cl	3020472
CC(N)C(=O)N1CCCCC1.Cl	3020480
CC1(C)CC2=CC(CN)=CC=C2O1.Cl	4000011
Cl.O=C1C[C@H]2CNC[C@H]2N1	4037695
C1C[C@H]2OCC[C@H]2N1.Cl	4076554
CN1CCCC(CN)C1=O.Cl	4037927
C1=CSC(C2CNC2)=N1.Cl	4038142
N[C@H]1CC[C@H]1O	4085481
N[C@H]1CC[C@@H]1O	4085482
CCCC1CCCN1.Cl	4030203
CC1=CC(C(F)(F)F)=NC(CN)=N1.Cl.O	4016507
CNC1CC2=CC=CC=C2C1.Cl	4032376
C1CN2CCC(CC2)N1.Cl.Cl	4020366
Cl.Cl.ClCCN1CCN(C2=CC=CC=C2)CC1	4017037
CC1=CC=C2NN=C(CN)C2=C1.Cl	4027428
C1=CC=C2CC(N3CCNCC3)CC2=C1.Cl.Cl	4100994
CC(C)(C)OC(=O)N1CC2(CCNCC2)CC1CO.Cl	4058737
CO[C@@H]1COC[C@H]1N.Cl	4064811
C1C[C@H]2CNC[C@H]2O1.Cl	4065066
Cl.Cl.NC1=CN=C2CCCCN12	4025666
C1=CN=C2CCNCC2=C1	4088218
N[C@H]1COC[C@H]1O	4088570
O=C1CC2(CCNCC2)CC(=O)N1	4088577
CC1=NC2=C(C=C(N)C=C2)N1	4088743
O=C1C[C@H]2CC[C@@H](CN1)N2	4088749
NCCC1=CN=C2C=CC=CN12	4088750
CNCC1CC1(C)C	4088921
CC1=CC2=NC(CN)=CN2C(C)=C1	4089278
NCC1=NNC(C2CC2)=C1	4089453
C1=CC=C(N2CCCNCC2)C=C1	4088587
OC1CNCC2=CC=CC=C21	4088765
C1CC2CCC1N2	4088239
NC1=CN=C2CCCCN12	4088248
CN1C=C(CCl)C=N1	4088937
CN1CCNCC1CO	4088941
CN1CCNC(C)(C)C1	4088943
O=C1NC=NC2=C1CNCC2	4089117
NC[C@@H]1C[C@@H]2C=C[C@H]1C2	4101660
NC12CC3CC(C1)CC(C(=O)O)(C3)C2	4088083
C1=CN=CC(C2CNC2)=C1	4088086
NCCC(N)=O	4088784
NCCC1=CSC2=C1CCCC2	4088785
CC12CC3(C)CC(N)(C1)CC(O)(C2)C3	4089136
NC1=NC(CCO)=CS1	4088097
CC1=NC2=C(CNCC2)S1	4088269
CN1CCNCC1(C)C	4088437
CC(N)C1=NC2=CC=CC=C2N1C	4088442
CN1CC(N)CCC1=O	4088787
NCC1=CC=NO1	4088965
NCCN1N=NC2=CC=CC=C21	4089145
N[C@H]1COC[C@@H]1O	4089150
CN1C=NN=C1C1CCCNC1	4088103
NCC(C1=CC=CC=C1)N1CCCCC1	4088277
NCC1=CC=NC2=C1C=CC=C2	4088280
CC(C)C1(N)CC1	4088447
NCCCC1=NC=CS1	4088798
CN1CCC(CBr)CC1	4089321
C[C@H]1CNCCO1	4088287
CC1=C(C)N=CC(CN)=C1	4088817
CC1=NNC(CCN)=N1	4089173
CC(C)(N)C(N)=O	4088299
CC1=NC=CN=C1CCl	4088476
CC1=NN=C(CN)S1	4089176
CC(C)(C)CC1(N)CC1	4089354
CC12CC3(C)CC(C)(C1)CC(N)(C2)C3	4088661
CC1=NC=C2CNCC2=C1	4088834
OC[C@H]1CCNC[C@@H]1O	4088836
CN1CC=CC1C(=O)O	4088838
CC(N)C1CCN(C)CC1	4089186
CC1(C#N)CCNCC1	4088323
C1=NN=CN1C1CCNCC1	4088673
COC(=O)CCC1CCCNC1	4089207
C1=CSC(C2CNC2)=N1	4089375
CC(N)C1=NC=NC=C1.Cl.Cl	4102728
CN1C(=O)C2(CCNCC2)C2=CC=CC=C21	4088502
CS(=O)(=O)CCN	4089033
NC1=NNN=C1	4089216
CCC(C)(N)CC	4088869
C1=CN(CC2CCCN2)C=N1	4089392
C1COC2(C1)CCNCC2	4088173
CNC(C)(C)COC	4089050
NC1=CN(CC2=CC=CC=C2)N=C1	4089415
CN1CCC(CCC(=O)O)CC1	4088190
CNC1(COC)CC1	4088369
CC(C)(CCN)C(=O)O	4088536
NCC1CCC(=O)N1	4088542
CCOC(=O)[C@@H]1[C@H]2CNC[C@H]21	4088711
N[C@H]1C[C@@H](O)C1	4089418
O=C1CC2(CCNCC2)CN1	4088375
NCCC1=NC=CN1	4089072
O=C1OCCN1C1CCNCC1	4089080
CC(=O)CN	4088212
NCC1=CC2=C(C=C1)NC=N2	4088386
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N	4088559
NCCC1CCC1	4088909
CN(C)C(=O)C1CNCCO1	4088914
NC1CCS(=O)(=O)CC1	4089269
CN1C[C@@H]2CNC[C@@H]2C1	4089442
CNCC1=NOC=C1	4089986
NC[C@H]1C[C@@H]2C=C[C@H]1C2	4090152
CC(N)C1=NC=NC=C1	4090160
CCC1(N)CC1	4090334
CO[C@H]1CNC[C@@H]1O	4090338
C1CCC2(CC2)NC1	4090900
CC(N)C1=CC=C2NC=CC2=C1	4089457
CN1C=CN=C1C(O)CN	4089637
NCC1=CSC(N)=N1	4090342
NCC1(C(=O)O)CC1	4090344
CNS(=O)(=O)CCN	4090527
N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1	4090916
NCC1=NC=CN1CC1=CC=CC=C1	4089468
CC1=NC2(CCNCC2)C(=O)N1	4090355
OC1=CC2=C(C=C1)CCNC2	4090543
O=S(=O)(Cl)C1=CC=C2NC=NC2=C1	4090544
CC(C1=CC=C(B(O)O)C=C1)N(C)C	4090728
C1=NC=C2CNCCN12	4090729
N=C(N)NC1CC1	4091109
NCC(O)C1=CN=CC=C1	4089667
C1CC2CC1CN2	4089845
CC1=NN=C(CN)N1	4090365
CC1=NN2CCCNCC2=C1	4090547
C1=CC=C(COC2CCCNC2)C=C1	4090550
COC(=O)[C@]1(C)CCCN1	4090934
O=C1NC2=CC=CC=C2C12CCNCC2	4089492
O=C(O)CC1=CN=C2C=CC=CN12	4089669
CN(C)CC1=C(C(=O)O)C=CC=C1	4089856
CC1=NN2CCNCC2=C1	4090021
CC1(C)CC2=CC=CC=C2CN1	4090383
NCC1=CSC=N1	4091135
CNCC1=NC=NC=C1	4089863
CC1=CC=NC(CN)=N1	4090768
NCCN1CCOC1=O	4090960
CC(N)C1=NN=NN1	4090046
CN1CCC(C)(C(=O)O)CC1	4090215
C1CN2CCC(C2)N1	4090772
O=C1CCC2(CCNCC2)N1	4091147
O[C@H]1CCNC[C@H]1O	4091152
CC1(C)CC1CN	4091154
CC1=C(C)C(CCN)=CS1	4091155
NCC1=NC=NN1	4089701
C1C[C@H]2CNC[C@@H]1C2	4089713
CN1C=C(N)N=N1	4090054
CNC1CCS(=O)(=O)CC1	4090414
NCCC1=NC(C2=CC=NC=C2)=NN1	4090791
NC1C2CC3CC1CC(O)(C3)C2	4090976
CC1(N)CC1	4089893
CN1N=C(C2=CC=CC=C2)N=C1N	4090431
NC(=O)C1CNCCO1	4090612
C1CN2CCC(CC2)N1	4090618
NC1CCCC2=NC=CC=C21	4090620
OCC1(O)CCNCC1	4090805
CN1CCCC1CC(=O)O	4090987
CO[C@@H]1C[C@@H]2CC[C@H](C1)N2	4091173
C[C@]1(C(=O)O)CCCN1	4090076
NCC1=NC=CS1	4090081
CC1=C(C)N(C)C(CN)=N1	4090627
O[C@H]1CCNC[C@@H]1O	4090811
O=C(O)C1=CC=C(C2=NC=CN2)S1	4089743
NC1CCCOC1	4089910
CC(N)C1=NNC(=O)N1	4090261
CN(C)[C@H]1CNC[C@@H]1O	4090263
BrCCN1C=CN=C1	4090634
COCC1(CN)CC1	4090635
CC1=NOC(C2CCCN2)=N1	4090644
OCC1(CO)CCNCC1	4090645
C1CC2COCC(C1)N2	4091018
CC1=CC(C)=C(CN)C=N1	4090096
CC1=NC2=CC=CC(B(O)O)=C2C=C1	4090649
NCC1=NC=NC=C1	4089758
CC(N)C1=NC=CN1	4090114
C1=CC(C2CNC2)=CC=N1	4090286
NCC1=CC2=CC=CN=C2C=C1	4090477
CC(C)C1=NOC(CN)C1	4090660
CNCC(F)(F)F	4090854
CN1C=CN=C1CCN	4091034
CC1=NOC(C)=C1CN	4091040
CC(C)NN	4091043
Br.COC(=O)C1=NC(Br)=NN1	4091215
CN1N=CC(N)=N1	4089775
NCC12CCCN1CCC2	4090125
CC1=CNC(CN)=N1	4090672
NCC1=CC2=CC=CC=C2O1	4090860
ClCC1=NC=CC=N1	4090862
COCC(N)C1=NC=CC=C1	4091052
CC1(CO)CCCCN1	4091057
N#CC1=NN2CCNCC2=C1	4091060
C1CCC2CCCC(C1)N2	4089599
NC1(C2CCCC2)CC1	4089785
NC1CCC2=C(C=NN2)C1	4090139
COC(=O)CC1CCNC1	4090679
NC1(CN2CCCCC2)CC1	4091066
NCC1=CC=CC(C2=NN=NN2)=C1	4089789
NCCC1=CN2C=CC=NC2=N1	4089796
O=C1NCCN[C@H]1CC1=CC=CC=C1	4090141
C1=CN(C2CCNC2)C=N1	4090318
CCCC1CCCN1	4090688
CC1=C(CCl)SC=N1	4090692
Cl.O[C@@H]1C[C@H]2NCC[C@@H]12	4091258
CCN1C=C(CN)C(C)=N1.Cl	4108175
IC1=CSN=C1	4108237