Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)C 00009
C=CCNC(=S)NN 00087
c1cc(ncc1Cl)N 00124
c1c(nc(nc1Cl)N)Cl 00132
c1cc2c(cc[nH]2)cc1N 00173
CN1CCC(CC1)N 00187
CNCc1ccccc1 00387
c1ccc(cc1)c2ccc(cc2)C=O 00413
c1ccc(cc1)c2ccc(cc2)C(=O)O 00415
c1cnccc1c2nnc(s2)c3ccncc3 00440
c1cc(c(cc1[N+](=O)[O-])Br)N 00508
B(c1ccc(cc1)Br)(O)O 00519
c1c(nc(nc1Cl)N)N 00690
c1cc(ncc1[N+](=O)[O-])Cl 00770
c1cc(ccc1C2(CCNCC2)O)Cl 00786
c1cc(ccc1N2CCNCC2)Cl.Cl.Cl 00788
CC(=O)c1cccc(n1)C(=O)C 01005
c1cc(ncc1Br)Br 01099
c1cc(c(c(c1)Cl)Cl)OCC(=O)O 01174
c1[nH]c2c(n1)nc(nc2Cl)Cl 01182
CC1(CC(=O)CC(=O)C1)C 01422
Cc1ccc2c(c1)cc([nH]2)C 01444
c1ccc(cc1)C(c2ccccc2)C(=O)O 01525
CCOC(=O)C1CCNCC1 01677
c1cc(c(cc1O)C=O)[N+](=O)[O-] 01982
c1ccc2c(c1)C(=O)CC2=O 02029
c1ccc2c(c1)c(c[nH]2)CC(=O)NN 02037
CNCCc1ccccn1 02235
Cc1cccc2c1[nH]cc2 02313
CNCCc1ccccc1 02354
Cc1cccc(n1)C=O 02366
B(c1ccccc1)(O)O 02651
C1C=CCN1 02834
c1cc(sc1)C(=O)NN 02998
CC(C)(C)c1ccc(cc1)CN 03369
c1cc(cc2c1cc[nH]2)C(=O)O 03401
COc1ccccc1N2CCNCC2 03413
C1CNCCN(C1)CCCCl.Cl.Cl 03423
c12c(c(c(c(c1Br)Br)Br)Br)C(=O)NC2=O 03568
c1ccc(cc1)C(=O)N2CCC(=O)CC2 03658
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(cc4)O 03716
COc1cccc2c1[nH]cc2 03973
c1cc(c(nc1)Br)O 04068
Cc1cc(nc2c1ccc(n2)N)C 04156
c1cc(ncc1Br)N 04235
c1ccc(cc1)c2ccc(cc2)CO 04276
c1c(sc(n1)N)Br.Br 04464
C1CNCCC1O 04508
CS(=O)(=O)c1ccc(cc1)NN.Cl 04579
c1c(nc(cn1)Cl)Cl 04674
Cc1nnc(s1)N 04706
c12c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)NC2=O 04793
CS(=O)(=O)c1ccc(cc1)C(=O)O 04828
COc1cccc2c1nc(s2)N 04909
C(CCl)c1[nH]nnn1 05017
c1cc(c(cc1Cl)Cl)/C=C/C(=O)O 05197
CCOC(=O)c1cnc(nc1Cl)SC 05272
c1ccc(cc1)C2CCNCC2 05377
c1cnoc1 05523
c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-] 05563
c1c(c(c(c(c1Cl)Cl)Cl)Cl)N 05774
c1ccc(cc1)CS(=O)(=O)Cl 05978
c1cc(c(cc1C(=O)O)[N+](=O)[O-])CBr 05989
C1CC(CNC1)O.Cl 06352
c1ccc2c(c1)NC(=O)CS2 06370
C1CCC(CC1)C#CN 06493
c1cc(ccc1c2nnc3n2nc(cc3)Cl)C(F)(F)F 06527
CN1c2ccccc2C(=O)C1=O 06901
Cn1c(=O)cc([nH]c1=O)Cl 06966
COc1ccc2c(c1)CCC(=O)C2 06973
c1ccc(cc1)Cc2ccccc2CO 07295
c1cc(ccc1N2CCNCC2)F 07486
COc1cc(ccc1N)C(=O)OC 07586
CC(C)(C)OC(=O)O/N=C(/C#N)\c1ccccc1 07642
C1COCCN1CCCCl 07659
c1ccc(cc1)c2ccc(cc2)CC(=O)O 07890
c1cc(ccc1OCCN2CCCC2)Br 07989
c1cc(cc(c1)C(F)(F)F)CC#N 08053
c1ccc(cc1)CNC(=O)c2ccccc2 08200
CC(=O)Nc1c(cccc1[N+](=O)[O-])C(=O)OC 08435
C1CNC[C@@H]1O.Cl 09408
c1ccc2c(c1)C(=O)CO2 09842
C1CC(=CC(=O)C1)N 10306
c1cc2c(cc(c(c2nc1)O)I)Cl 11367
Cc1cccc2c1nccn2 11830
c1cc(nc(c1)Br)Br 11881
c1cc2cccc(c2c(c1)O)O 12003
COc1cc(cc(c1)OC)CCN 12024
CC1(CCCNC1)C 12210
CC(C)Oc1ccccc1 13069
c1ccc2c(c1)C(=CC=N2O)[N+](=O)[O-] 14305
COc1ccc(c(c1)O)N.Cl 14532
c1ccc(cc1)NC(=S)NN 14753
C1CCN[C@@H](C1)C(=O)O 14827
Cc1ccc(n1c2ccccc2)C 15083
C(CC(=O)CCCCl)CCl 15252
C1C(=O)N=C(S1)CC#N 15945
c1cc(ccc1c2csc(n2)N)Br 15981
c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)Cl 15992
c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)Cl 15993
COc1cc(c(cc1OC)Br)/C=C/C(=O)O 16005
c1cc(ccc1COc2ccc(cc2)C=O)[N+](=O)[O-] 16015
c1cc(ccc1S(=O)(=O)CC#N)Cl 16053
CC(=O)CS(=O)(=O)c1ccc(cc1)Cl 16063
CC(=O)CS(=O)(=O)c1ccccc1 16086
Cc1ccc(cc1)SC(F)(F)F 16095
Cc1ccc(cc1)OC(F)(F)F 16110
c1ccc(cc1)S(=O)(=O)C[N+](=O)[O-] 16120
c1cc(ccc1C2CCCCC2)C(=O)/C=C/C(=O)O 16141
c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)Cl 16154
c1cc(ccc1[N+](=O)[O-])Oc2c(cc(cn2)C(F)(F)F)Cl 16157
c1ccc2c(c1)cccc2OCC(=O)NN 16166
Cc1ccc(c(c1)C)OCC(=O)NN 16167
c1cc(cc(c1)Oc2ccc(cc2C=O)[N+](=O)[O-])C(F)(F)F 16175
c1c(cc(cc1C(F)(F)F)NC(=O)CCl)C(F)(F)F 16180
c1cc(ccc1C(F)(F)F)Oc2ccc(cc2C=O)[N+](=O)[O-] 16194
c1ccc(cc1)S(=O)(=O)C/C(=N/O)/N 16203
c1ccc(cc1)Oc2ccc(cc2)C(=O)/C=C/c3cccs3 16204
CC(=O)c1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl 16205
COc1ccc(cc1OC)C(=O)/C=C/c2cccs2 16208
c1ccc(cc1)COc2ccc(cc2)N 16209
c1ccc2c(c1)[nH]c(n2)SCC(=O)NN 16210
c1ccc2cc(ccc2c1)/C=C/C(=O)O 16212
CC(C(=O)NN)Oc1ccc(cc1Cl)Cl 16213
c1cc(ccc1CBr)S(=O)(=O)Cl 16214
CC(=O)c1ccc(cc1)N2C(=O)C=CC2=O 16216
Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccccc2 16217
Cc1c(sc(n1)Nc2ccccc2)C(=O)C 16219
Cc1ccc(cc1)S(=O)(=O)CC#N 16222
c1cc(ccc1N2C(=O)C=CC2=O)Br 16223
c1cc(c(cc1Cl)Cl)C(=O)N 16224
c1ccc(cc1)C(=O)/C=C/c2ccccc2O 16226
c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O 16227
CC(C)c1ccc(cc1)/C=C/C(=O)O 16228
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)Cl 16229
CC1(C2CCC1(CC2)C)C 16230
c1cc(c(c(c1)Cl)/C=C/C(=O)O)F 16232
Cc1cc(ccc1Cl)C(=O)CBr 16237
B(c1cccc2c1cccc2)(O)O 16732
c1ccc2c(c1)C[C@@H](N(C2)C(=O)OCC3c4ccccc4-c5c3cccc5)C(=O)O 16990
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)Cl)C(=O)O 17148
c1cscc1C(=O)O 17605
c1cc2c(cc1F)c(ccn2)O 17613
Cn1c(nnc1S)c2cccnc2 17753
C1CN(C(=O)N1)CCN 17826
c1ccc(c(c1)OC/C(=N/O)/N)Cl 17965
c1ccc2c(c1)c(no2)CC(=O)O 18310
c1ccc2c(c1)cc(o2)C(=O)O 18314
c1c(cc(c(c1N)N)F)F 19221
c1ccc(c(c1)/C=C/C(=O)O)F 19239
C[C@H]1CNCCN1 19298
Cc1cccc2c1[nH]c(c2)C(=O)O 19398
Cc1ccc2c(c1)cc[nH]2 19415
c1ccc(cc1)CN2C(=O)C=CC2=O 19432
c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)N 19438
c1ccc(cc1)c2ccccc2CN 19450
c1ccc(cc1)C2CCCCN2 19453
c1cc2c(cc1[N+](=O)[O-])c(=O)oc(=O)[nH]2 19484
c1ccc(cc1)c2cccc(c2)CN 19485
COc1cc(ccc1O)CCN.Cl 19553
CCCC(=O)NN 19650
c1ccc(cc1)COc2ccc(cc2)C(=O)O 19752
COc1cc2cc[nH]c2cc1OC 19808
COc1cc2cc([nH]c2cc1OC)c3ccccc3 19865
c1c(cnc(c1Cl)N2CCNCC2)C(F)(F)F 20044
Cc1cc(ccc1C#N)Br 20065
CCN(CC)CCCCN 20245
c1cc(n(c1)c2c(cc(cn2)C(F)(F)F)Cl)S(=O)(=O)Cl 20270
CN(C)[C@H]1CCNC1 20796
Cc1c2ccccc2oc1C(=O)O 20870
Cc1c(c2cc(ccc2[nH]1)OC)CCO 20934
c1ccc(cc1)CN2CC[C@H](C2)O 21131
C[C@@H]1CNCCN1 21132
C1CNC[C@H]1O.Cl 21231
c1cc2c(c(c1)F)c(ncn2)N 21314
c1ccc(cc1)c2c(c3ccccc3[nH]2)CC(=O)O 21359
c1ccc(cc1)c2c(c3ccccc3[nH]2)CCO 21363
c1ccc(cc1)c2c(c3ccccc3[nH]2)CCN.Cl 21373
CS(=O)(=O)c1ccc(cc1)O 21649
c1cc2c(cc1[N+](=O)[O-])cc(o2)C(=O)O 21820
c1cnccc1CCN 21938
COc1cc(cc(c1OC)OC)C(=O)NN 22008
CC(C)(C)c1ccc(cc1)C(=O)/C=C/C(=O)O 22009
CCOc1ccc(cc1)C(=O)/C=C/C(=O)O 22015
c1cc(ccc1C(=O)/C=C/C(=O)O)Br 22018
CC1CC(=O)CC(=O)C1 22019
c1ccc2c(c1)[nH]c(n2)SCC(=O)O 22021
COc1cc(c(cc1OC)[N+](=O)[O-])/C=C/C(=O)O 22360
CC(C)c1ccc(cc1)C(=O)/C=C/C(=O)O 22365
c1cnc(nc1)C#N 22615
c1cc(c(c(c1N)N)F)F 22672
CCCCSc1nnc(s1)S 22949
C(C(=O)O)Sc1nnc(s1)S 22955
CSc1[nH]cnn1 23006
CCCSc1[nH]cnn1 23030
C=CCN1CCCC1CN 23590
COc1c(cccc1Cl)N 23639
c1cc2c(ccc(c2nc1)O)F 23823
Cc1ccc2c(c1)ccc(n2)C(F)(F)F 24201
c1c[nH]c2c1c(c(c(c2F)F)F)F 24866
c1c(c2c([nH]1)c(c(c(c2F)F)F)F)C=O 24867
CCCCc1c(nc(nc1O)N)COC 25249
C1CNCC1N.Cl.Cl 25260
c1(c(c(c(c(c1F)F)F)F)N)N 25458
c1cnc(c(n1)C#N)Cl 25472
c1c(c(sc1S(=O)(=O)N)Cl)[N+](=O)[O-] 25557
C1CN2CCC1(CC2)C#N 25583
C1CC(=O)N[C@H]1C(=O)O 25909
COC(=O)C1C(SCC1=O)C(=O)OC 26077
c1ccc(cc1)n2c(c(cn2)C#N)N 26111
CSCCN 26237
Cc1cc(ccc1C#N)Cl 26542
COc1ccc(c(c1OC)OC)CC(=O)O 26635
COC(=O)c1ccccc1C=O 26731
c1cncc(c1C(F)(F)F)C(=O)O 26844
c1cc2c(cc[nH]2)c(c1)Cl 27057
c1cc(cc2c1cc[nH]2)Cl 27058
COc1ccc2cc[nH]c2c1 27070
c1ccc2c(c1)[nH]c(n2)CCCO 27354
c1cc(cc(c1)Cl)N2CCNCC2 27452
c1ccc(cc1)CN2CC[C@@H](C2)O 28260
c1cnn[nH]1 28537
c1ccc(cc1)COc2cccc3c2cc[nH]3 29140
Cc1cccc2c1cc[nH]2 29152
Cc1ccc2cc[nH]c2c1 29153
c1c(cnc(c1C(F)(F)F)Cl)[N+](=O)[O-] 29832
c1ccc(cc1)c2nnc3n2nccc3Cl 29840
c1cc(cc(c1)C(=O)CBr)C#N 29844
c1c(cc(nc1Cl)Cl)C=O 30247
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)F)C(=O)O 30697
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)O 30698
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)I)C(=O)O 30720
CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)O 30752
CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O 30761
B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O 30794
CC(C)(C)OC(=O)N[C@H](Cc1c(c(c(c(c1F)F)F)F)F)C(=O)O 30814
CC(C)(C)OC(=O)N[C@@H](Cc1c(c(c(c(c1F)F)F)F)F)C(=O)O 30826
COc1cc(ccc1C=O)O 31121
B(c1ccc(cc1Cl)Cl)(O)O 31334
c1cc(ccc1C(=N)[NH3+])C(=O)O.[Cl-] 31779
c1ccc(cc1)CN2CCCCC2CO 32600
c1ccc(c(c1)NCCC(=O)O)Cl 32819
c1ccc(cc1)Sc2ccccc2CCN 33134
CCOC(=O)C1CCCC(=O)C1 34184
CC(C)/C=C/C(=O)O 34434
c1ccc(c(c1)NC(=O)CCl)n2cccc2 34604
COc1ccc(cc1)CCl 34615
COc1ccc(cc1O)CC(=O)O 34635
c1cc2cccnc2c(c1)NC(=O)CCl 34645
C1CCC(C1)N2CCNCC2 34964
c1cc(cc(c1)[N+](=O)[O-])c2ccnc(n2)N 35058
CCOC(=O)c1c(nc(s1)N)C(F)(F)F 35145
c1ccc(c(c1)C#N)C(=O)O 35583
Cc1c(nc(nc1O)c2ccccn2)C 35820
COc1ccncc1[N+](=O)[O-] 35900
Cc1cc(nc(n1)c2ccccn2)O 36119
CCOC(=O)c1cccc(c1)N=C=O 36299
COc1cc(ccc1Cl)[N+](=O)[O-] 36441
c1cnc(cc1N)Cl 36772
C1CN(CCN1)CCCN 36918
c1cc(sc1)/C(=N/O)/N 37224
c1ccc(cc1)N2CCCC2C(=O)O 37613
c1ccc(cc1)c2c(n3ccccc3n2)C(=O)O 37875
Cc1ccc(cc1C)C(=O)CCCBr 38249
c1ccc2c(c1)ncc(n2)SCCC(=O)O 38399
c1cc(c(cc1O)F)C(=O)O 38950
COC(=O)c1ccncc1C(=O)O 38981
Cc1c(c(c2ccccc2n1)C(=O)O)N 39343
CC(=O)OC1CN(C1=O)C(=O)OC(C)(C)C 39385
CC(C)(C)OC(=O)N1CCC(CC1)N 39388
CC(C)(C)OC(=O)NCC(C)(C)CN 39396
CC(C)(C)OC(=O)NC1CCNCC1 39443
CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2 39455
CC(C)(C)OC(=O)N1CCC(=O)CC1 39472
Cc1c(c[nH]n1)Br 39473
Cc1ccc2c(c1[N+](=O)[O-])[nH]c(n2)C 39501
c1cc(c(c(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O 39549
c1cnn(c1)c2ccc(cn2)C(=O)O 39553
Cc1c(sc(n1)c2cccnc2)C(=O)O 39556
CC(C)(C)OC(=O)N1CCN(C(C1)CC(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 39605
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCOCC4C(=O)O 39608
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)F)C(=O)O 39610
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)F)C(=O)O 39611
Cc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 39614
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccnc4)C(=O)O 39621
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccs4)C(=O)O 39622
COc1cc(ccc1CO)OCCCC(=O)O 39639
c1cc(ccc1CO)OCCCC(=O)O 39644
COc1ccc(cc1)C(C(=O)O)N 39648
c1c(cc(c(c1Cl)OCCCCO)Cl)Cl 39668
c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])O 39888
B(c1cc(cc(c1)C)C)(O)O 40257
CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c2ccccc2)C(=O)O 40294
Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)OC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)O 40662
Cc1c(c([nH]n1)N)Br.Br 41561
c1c(cnc(c1[N+](=O)[O-])N)Br 41562
c1cc(c(cc1N)Cl)N2CCOCC2 41567
c1cc(ccc1c2cc([nH]n2)N)Cl 41568
Cc1nnc(n1N)C 41579
c1ccc(cc1)C(c2ccccc2)N3CC(C3)O 41644
c1c(c(n[nH]1)N)Br 41652
CC(C)(C)c1c(sc(n1)N)Br.Br 41702
CC(C)c1ccc(c(c1)[N+](=O)[O-])N 41977
c1cc(c(cc1O)C(=O)O)N 42382
c1cc(ccc1C2(OCCO2)CBr)Cl 42482
CC(C)(C)c1ccc(c(c1)[N+](=O)[O-])N 42503
c1ccc2c(c1)c(c(s2)C(=O)Cl)Cl 42539
c1ccc(cc1)Oc2ccc(cc2)C(=O)O 42660
c1c(cncc1Br)Br 43232
CC(=O)OC1CCCCC1=O 43266
C=CCc1cccc(c1O)C=O 43278
CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C 43293
c1cc(c(cc1Cl)Cl)OCCBr 43399
c1cc(ccc1OCC#N)Cl 43901
CN(c1ccc(nn1)Cl)N 44132
CC(=O)c1cccc(c1)C(=O)O 44182
CC(=O)c1cccc(c1)c2ccccc2 44183
c1ccc2c(c1)ccc(n2)N 44217
c1ccc(cc1)C(=O)c2cccc(c2)CC(=O)O 44232
c1cnc([nH]1)c2[nH]ccn2 44235
c1ccc(cc1)c2cccc(c2)C(=O)O 44237
Cc1ccc(c(c1)C(=O)O)Cl 44465
Cc1c(cccc1Cl)C(=O)O 44467
Cc1cc(ccc1Cl)C(=O)O 44470
Cc1ccc(cc1C#N)Cl 44474
c1cc(ccc1CCC(=O)O)Cl 44486
CN(C)CCCCN 44572
CN(C)CCCCCCCN 44574
CN(C)CCCCCCN 44576
CC1=NN(=C(C1)N)c2ccccc2 44644
c1cc2ccc(cc2nc1)O 45222
Cc1ccc(c(c1)C(=O)O)OC 45266
COc1ccc(cc1)CCCCl 45280
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)Cl)C(=O)O 45301
CC(C)CCCCC(=O)O 45332
C1CCN(C1)CCCCN 45450
CNC(=O)CCl 45496
c1cc(ccc1SCC(=O)O)Cl 45519
CC(C)(C)c1cc(c(c(c1)O)O)C(C)(C)C 45576
CCOc1ccc(cc1OCC)C(=O)O 45605
c1ccc(cc1)C2CC(=O)CC(N2)c3ccccc3.Cl 45678
COC(=O)C1CCC=CC1 45794
CCCCCCCCOc1ccc(cc1)C=O 45874
C1C[NH2+]NC1=O.[Cl-] 45947
COc1cccc(c1CO)OC 46052
COc1ccc(cc1OC)CC(=O)NN 46056
Cc1c(c(on1)C)C(=O)Cl 46076
c1ccc2c(c1)c(c[nH]2)C#N 46194
COc1ccc(cc1)OCC#N 46232
c1c(csc1[N+](=O)[O-])C=O 46353
C1CCN(CC1)C/C(=N/O)/N 46394
CC(=O)c1cc(ccc1F)[N+](=O)[O-] 46605
Cc1c(cccc1F)N 46684
c1cc2c(cc(=O)oc2cc1O)CC(=O)O 46858
B(c1cccc(c1)Cl)(O)O 47208
c1ccc2c(c1)ccc(c2O)C=O 47276
COc1ccc(c(c1)N)[N+](=O)[O-] 47328
c1c(c(n[nH]1)C#N)Br 47416
c1c(nc[nH]1)C(=O)O 47614
COc1ccc(cc1)NC(=S)N 47744
c1cc([nH]c1)C(=O)NN 47853
c1c(cnc(c1Cl)NCC(=O)NN)C(F)(F)F 47857
c1cc(cc(c1)Sc2ccc(cc2)N)C(F)(F)F 47858
c1c(cnc(c1Cl)N2CCC(CC2)C(=O)O)C(F)(F)F 47866
CCCCOc1ccc(cc1)S(=O)(=O)N 48168
CC(C)(C)c1ccc(cc1)S(=O)(=O)N 48185
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)[N+](=O)[O-])C(=O)O 49379
c1ccc(c(c1)N2CCNCC2)F 51017
CC(C)(C)OC(=O)N[C@H](CCCC(=O)O)C(=O)O 51299
CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)C(=O)O 51300
CC(C)(C)OC(=O)N[C@H](CCCCCC(=O)O)C(=O)O 51304
CC(C)(C)OC(=O)N[C@@H](CCCCCC(=O)O)C(=O)O 51305
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 51320
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 51329
CN(C)[C@@H]1CCNC1 51929
B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C 52350
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](CCCC(=O)O)C(=O)O 52512
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCCC(=O)O)C(=O)O 52536
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](CCCCCC(=O)O)C(=O)O 52537
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCCCCC(=O)O)C(=O)O 52541
c1ccc(c(c1)N=C=O)[N+](=O)[O-] 52569
CN1CCC(CC1)C(=O)O.Cl 52809
c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 53062
CC(C)(C#N)N 53104
CC(C)c1ccc(cc1)S(=O)(=O)Cl 53394
c1ccc(c(c1)CO[NH3+])[N+](=O)[O-].[Cl-] 53587
c1cnc(nc1Cl)N 54374
c1cc(ccc1CO)OCC(=O)O 54477
Cc1cnc(s1)C 54938
c1cnc(cc1Br)Br 55629
c1cc(ncc1C(F)(F)F)N 56771
c1c(cc(cc1C(F)(F)F)C(F)(F)F)CC(=O)O 57058
c1cc(cc(c1)OC(C(F)F)(F)F)N 57444
c1cncc(c1Cl)N 57557
c1cc(ccc1N)N2CCN(CC2)c3ccc(cc3)F 58008
CN1CCN(CC1)c2ccc(cc2)N 58009
CCOC(=O)c1c(nc(s1)N)C 58418
COc1cc(nc(n1)N)OC 58563
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)O 58667
Cc1nc(cn1C)S(=O)(=O)Cl 59128
CCSc1nnc(s1)S 59405
COc1cc(cc(c1)OC)N2CCNCC2 59425
c1cc(ccc1C(C(=O)O)N)O 60122
COc1cc2c(cc[nH]2)cc1OCc3ccccc3 61750
c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CC(C(=O)O)N 61817
C(CCCCCBr)CCCCO 62038
C(CCCCBr)CCCO 62048
C1CN(CCN1)CCN2CCOCC2 62331
c1c(c(nc(n1)Cl)N)N 62607
CC(C)(C(=O)O)Oc1ccccc1Cl 62828
CC[C@H](C(=O)O)NC(=O)OC(C)(C)C 63576
CC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3 63590
CC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3 63599
c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 63607
c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 63617
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)c2ccccc2)C(=O)O 63654
c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 63709
c1ccc(cc1)c2ccc(cc2)C[C@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 63710
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)Br)C(=O)O 63871
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)Br)C(=O)O 63895
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)Br)C(=O)O 63969
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)Br)C(=O)O 64000
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)O 64019
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Cl)C(=O)O 64071
c1ccc(c(c1)C[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)Cl 64088
c1ccc(c(c1)C[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)Cl 64110
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)Cl)C(=O)O 64174
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)Cl)C(=O)O 64187
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)C#N)C(=O)O 64282
CC(C)(C)OC(=O)N[C@H](Cc1cccc(c1)C#N)C(=O)O 64290
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C#N)C(=O)O 64399
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)C#N)C(=O)O 64427
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cccc(c4)C#N)C(=O)O 64526
c1ccc(cc1)CC(=O)N 64545
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccc(c4)C#N)C(=O)O 64553
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)C#N)C(=O)O 64563
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)C#N)C(=O)O 64565
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 64630
CC(C)(C)OC(=O)N[C@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 64655
c1cc2c(cc1F)[nH]cc2C=O 64658
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(c(c4)Cl)Cl)C(=O)O 64668
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(c(c4)Cl)Cl)C(=O)O 64703
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 64711
CC(C)(C)OC(=O)N[C@H](Cc1ccc(c(c1)F)F)C(=O)O 64739
CC(C)(C)OC(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)O 64753
CC(C)(C)OC(=O)N[C@H](Cc1cc(cc(c1)F)F)C(=O)O 64760
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(c(c4)F)F)C(=O)O 64830
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(c(c4)F)F)C(=O)O 64914
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cc(cc(c4)F)F)C(=O)O 64935
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cc(cc(c4)F)F)C(=O)O 64967
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(c(c1)OC)OC)C(=O)O 64973
CC(C)(C)OC(=O)N[C@H](Cc1ccc(c(c1)OC)OC)C(=O)O 64994
COc1ccc(cc1OC)C[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 65023
COc1ccc(cc1OC)C[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 65189
CC(C)(C)OC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)O 65305
c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 65363
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)O 65461
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1F)C(=O)O 65558
Cc1cc(nc(n1)C)NN 65832
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)F)C(=O)O 65858
CC(C)(C)OC(=O)N[C@H](Cc1cccc(c1)F)C(=O)O 65859
c1ccc(c(c1)C[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)F 65862
c1ccc(c(c1)C[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)F 65867
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cccc(c4)F)C(=O)O 65868
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccc(c4)F)C(=O)O 65869
CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)O 65871
CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C(=O)O 65879
c1ccc(cc1)CC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 65906
c1ccc(cc1)CC[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 65912
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)I)C(=O)O 65922
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)I)C(=O)O 65934
c1cc(c(nc1)C(=O)O)N 65952
Cc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C 65961
Cc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C 65962
Cc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 65964
c1ccc2c(c1)cccc2C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 65965
c1ccc2c(c1)cccc2C[C@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 65966
c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 65967
c1ccc2cc(ccc2c1)C[C@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 65968
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)[N+](=O)[O-])C(=O)O 65969
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4c(c(c(c(c4F)F)F)F)F)C(=O)O 65970
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4c(c(c(c(c4F)F)F)F)F)C(=O)O 65972
CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)O 66007
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccccn4)C(=O)O 66009
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cccnc4)C(=O)O 66010
CC(C)(C)OC(=O)N[C@H](Cc1ccncc1)C(=O)O 66011
CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)O 66012
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccncc4)C(=O)O 66013
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccncc4)C(=O)O 66014
c1ccc2c(c1)C[C@H](N(C2)C(=O)OCC3c4ccccc4-c5c3cccc5)C(=O)O 66016
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cscn4)C(=O)O 66017
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cscn4)C(=O)O 66018
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)O 66019
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)O 66020
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)C(F)(F)F)C(=O)O 66021
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4ccc(cc4)C(F)(F)F)C(=O)O 66022
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)O 66024
CC(C)(C)OC(=O)N[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)O 66025
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cccc(c4)C(F)(F)F)C(=O)O 66026
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccc(c4)C(F)(F)F)C(=O)O 66028
CC(C)(C)OC(=O)N[C@@H](Cc1cc(c(c(c1)F)F)F)C(=O)O 66029
CC(C)(C)OC(=O)N[C@H](Cc1cc(c(c(c1)F)F)F)C(=O)O 66030
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cc(c(c(c4)F)F)F)C(=O)O 66031
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cc(c(c(c4)F)F)F)C(=O)O 66032
C1CC(C1)(C(=O)O)N 66365
B(c1ccc(cc1)C=O)(O)O 66386
Cc1cc(cc(c1O)C)C=O 66388
B(c1cccc(c1)C=O)(O)O 66759
B(c1ccccc1C=O)(O)O 66760
c1cc(ccc1C(=O)CBr)C(F)(F)F 66920
COc1ccc(cc1)OCCN 66944
c1c(cnc(c1[N+](=O)[O-])O)Br 66960
c1c(cnc(c1Cl)CN)C(F)(F)F.Cl 67380
CC(C)(C)OC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)O 67435
c1ccc2c(c1)CC(C2)[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5 67442
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)Cl 67558
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)Cl 67559
Cc1c(c(=O)ccn1C)O 67643
c1cc2cnccc2c(c1)S(=O)(=O)Cl.Cl 67775
C#Cc1ccc(cc1)[N+](=O)[O-] 67876
c1ccc2cnc(cc2c1)C(=O)O 68359
Cn1cc(nc1)S(=O)(=O)Cl 68888
c1c(cc(c(c1Cl)O)Cl)F 71748
c1cc2c(cc1I)OCO2 71861
c1cc(ccc1c2cc(n[nH]2)C3CCNCC3)Cl 71938
c1cc(ccc1/C=N/O)[N+](=O)[O-] 72249
c1cc(c(cc1[N+](=O)[O-])/C=C/C(=O)O)Cl 72953
c1cc(c(cc1/C=C/C(=O)O)[N+](=O)[O-])Cl 72954
c1ccc(cc1)c2nc(cs2)C(=O)O 73531
c1ccc(cc1)CCCN2CCNCC2 73780
c1cc(ccc1C#N)N2CCNCC2 73782
c1cnccc1CN2CCNCC2 73785
CCOC(=O)N1CCN(CC1)CCO 73793
Cc1ccc(cc1)CN2CCNCC2 73798
CCCCN1CCNCC1 73808
CC(C)N(CCN1CCNCC1)C(C)C 73837
Cc1ccc(cn1)Br 73861
c1ccnc(c1)/C=C/C(=O)O 73884
B(c1ccc(cc1)[N+](=O)[O-])(O)O 74026
Cn1cncc1Br 74183
Cc1c(cccc1N)C(F)(F)F 74817
Cc1c(c(c(c(c1C)C)CCl)C)C 75401
c1ccc(cc1)CN2CCCNCC2 75792
COc1cc(c(cc1Cl)Cl)N 75936
Cc1cc(ccc1Cl)c2csc(n2)N 76275
c1cc(c(cc1C(F)(F)F)S(=O)(=O)Cl)F 76410
c1cc(c2cc[nH]c2c1)N 76962
c1cc2c(cc[nH]2)c(c1)Br 76974
c1cc2cc[nH]c2c(c1)Br 76976
c1cc(c2cc[nH]c2c1)C#N 76981
c1cc2cc[nH]c2c(c1)F 77001
c1cc(cc2c1cc[nH]2)O 77003
c1cc(c2cc[nH]c2c1)C=O 77017
c1cc2c(cc[nH]2)cc1C=O 77018
c1cc(cc2c1cc[nH]2)C=O 77019
c1cc2cc[nH]c2c(c1)C=O 77020
CC(C)(C(=O)c1ccccc1)Br 77047
c1cc(cc(c1)Br)C(=O)CBr 77059
CC(C)(C)c1ccc(cc1)C(=O)CCl 77204
c1cc(ccc1S(=O)(=O)C[N+](=O)[O-])Cl 77231
c1cc(cc(c1)OC(F)(F)F)/C=C/C(=O)O 77274
c1cc(ccc1OC(F)(F)F)S(=O)(=O)Cl 77439
Cc1cc(ccc1Cl)C(=O)CCl 77440
c1cc(c(cc1Br)Br)OCC(=O)O 77565
c1ccc2c(c1)C(=O)C(=C(C#N)C#N)C2=O 77649
c1c(c(cc(c1O)O)[N+](=O)[O-])C=O 77673
COc1ccc(c(c1)S(=O)(=O)Cl)OC 77675
CC(C)COC(=O)CC#N 77709
CC(C)C1CC(=O)CC(=O)C1 77926
Cc1ccc(cc1)S(=O)(=O)C[N+](=O)[O-] 78145
CNCCc1ccncc1 78637
c1cc(ccc1CBr)OC(F)(F)F 79192
c1cc(c(cc1Cl)Cl)c2cc([nH]n2)C3CCNCC3 79997
c1cc(oc1)c2cc([nH]n2)C3CCNCC3 79998
c1cc(sc1)c2cc(n[nH]2)C3CCNCC3 79999
c1cc2c(cc1[N+](=O)[O-])[nH]c(=O)oc2=O 80468
c1cc(ccc1c2cnco2)N 80493
B(c1ccc(cc1)C(=O)O)(O)O 80604
Cc1cc(ccc1F)c2csc(n2)N 80719
c1cc(sc1C2=[NH+]CCNC(=C2)C(F)(F)F)[N+](=O)[O-].N(=O)(=O)[O-] 80808
CC(C=O)C(F)(F)F 80891
c1cn(cn1)CCCl.Cl 80928
c1ccc2c(c1)c(cc(n2)Cl)Cl 81197
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2 81430
c1ccc2cc(ccc2c1)C(=O)C[NH3+].[Cl-] 81506
c1ccc2c(c1)c(ncn2)N 81929
CC(C)(C)OC(=O)N1CCNC(C1)CC(=O)OC 81957
Cc1c(cc(c(=O)o1)NC(=O)c2ccccc2)C(=O)OC 81983
c1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])C=O)F 81986
c1csc(c1Br)Cl 82029
CCCC[Sn](CCCC)(CCCC)c1cnccn1 82326
c1ccc2c(c1)C(=O)C(C2=O)c3ccncc3 82774
B(c1ccc(cc1OC)OC)(O)O 82970
CCCC[Sn](CCCC)(CCCC)C#C 82991
B(c1ccc(cc1)F)(O)O 82994
B(c1ccc(cc1)C)(O)O 83006
c1cc(c(cc1C(F)(F)F)N)C(=O)O 83011
CCOc1ccc(cc1)Nc2nc(cs2)c3ccc(c(c3)C)F 83054
c1cc(c(cc1Cl)Cl)OCC(=O)NN 83160
Cc1cc(ccc1OCC(=O)NN)Cl 83593
c1cc(ccc1[N+](=O)[O-])OCC(=O)NN 83609
c1cc(ccc1OCC(=O)NN)F 83620
Cc1c(sc(n1)N)C(=O)C 83623
c1ccc(cc1)NC2=CC(=O)CCC2 83745
c1ccc(c(c1)OCC(=O)NN)Cl 83767
COc1ccc(cc1)C(=O)C2C(=O)c3ccccc3C2=O 83773
Cc1ccc(c(c1[N+](=O)[O-])N)N 83794
CC(C)(C)OC(=O)N[C@H](Cc1csc2c1cccc2)C(=O)O 83832
c1ccc(cc1)N/C=C/C=[NH+]/c2ccccc2.[Cl-] 83867
C1CNCCC1CCN 83888
COc1ccc(cc1/C=C/C(=O)O)Br 83904
c1cc(oc1)CCC(=O)O 84045
Cc1cccc(c1C)OCC(=O)O 84088
Cc1ccc(cc1C)OCC(=O)O 84108
c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)O 84120
c1ccc(cc1)c2ccc(cc2)CN 84189
CC(C)[C@@H](C(=O)O)O 84239
COC(=O)CC(=O)c1ccc(cc1)Cl 84282
c1ccnc(c1)c2ccc(s2)C(=O)O 84298
Cc1c(sc(n1)C)C(=O)O 84299
c1c(cc(nc1Cl)Cl)N=C=O 84311
c1ccc2c(c1)c(c([nH]2)Cl)C=O 84428
c1c(c(cc2c1OCO2)[N+](=O)[O-])/C=C/C(=O)O 84558
CCCCN(CC)CCN 84619
c1cc(cc(c1)[N+](=O)[O-])NC=O 84627
CNC1CCCC1 84668
B(C1CCCCC1)(O)O 84841
CC(C)(C)OC(=O)NC1CCC(=O)CC1 85038
c1ccc-2c(c1)Cc3c2c(ccc3)C(=O)O 85372
Cc1c(c(c(c(c1C)C)C(=O)CCl)C)C 86469
COc1cccc(c1CN2CCC(CC2)N)OC 86525
c1cc(ccc1C(F)(F)F)N2CCNCC2 86640
c1c(cnc(c1Cl)N2CCc3c(sc(c3C#N)N)C2)C(F)(F)F 86718
CCCSc1nnc(s1)S 86861
CC(C)(C)OC(=O)Nc1cccc(c1)CN 87404
c1[nH]nc(n1)C(=O)O 87728
CC(C)(C)c1cc[nH]n1 87857
c1ccc(cc1)COC(=O)N2CCC(CC2)C=O 87948
CC(C)[C@H](C(c1ccccc1)(c2ccccc2)O)N 88244
c1ccc(cc1)S(=O)(=O)CC#N 88294
c1cc(ccc1CBr)SC(F)(F)F 88432
Cc1ccc(cc1)S(=O)(=O)CC(=O)C(C)(C)C 88750
c1ccc(cc1)C(=O)C2C(=O)c3ccccc3C2=O 88832
CC(C)(C)C(=O)CS(=O)(=O)c1ccc(cc1)Cl 88836
CC(C)c1ccc(cc1)S(=O)(=O)CC#N 88891
CC(C)/C=C/C(=O)OC 89646
CC/C=C/C(=O)OC 89679
CC(C)CC1CC(=O)CC(=O)C1 89680
CCC1CC(=O)CC(=O)C1 89683
CCCC1CC(=O)CC(=O)C1 89684
CC(C)C/C=C/C(=O)OC 89685
Cn1c(c(c(=O)n1c2ccccc2)Br)CBr 89735
c1ccnc(c1)Sc2ccc(cc2C=O)[N+](=O)[O-] 89775
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cccs4)C(=O)O 89899
c1cc(ccc1OC(F)(F)F)S(=O)(=O)CC#N 90187
c1cc(ccc1S(=O)(=O)CC#N)Br 90203
COc1ccc(cc1C=O)Br 90350
c1cc(ccc1N)n2cncn2 90357
C(C#N)O[NH3+].[Cl-] 90377
c1ccc2c(c1)c(c[nH]2)CCNC(=O)CCl 90378
COc1cc(c(cc1OC)[N+](=O)[O-])C(=O)N 90428
COC(=O)Cc1cccs1 90432
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N 90463
c1ccc2c(c1)C(=O)C(C2=O)Br 90560
COC(=O)C[NH+]1CCOCC1.[Cl-] 90597
C1CCCC(CC1)N2CCNCC2 90733
Cc1cc(cc(c1)CN)C 90741
Cc1cc(nc(c1)Br)C 90783
c1(nc(nc(n1)Cl)Cl)N 91972
CCOC(=O)c1ccccc1C(=O)CBr 91987
CNC(=O)c1ccccc1N 92247
Cc1ccc(cc1Br)Cl 92295
COc1ccc(cc1CCN)Br.Br 92315
c1c(cc(c(c1Cl)Br)Cl)Cl 92340
c1cc(c(cc1C(=O)O)O)Cl 92399
c1cc(cc(c1)Cl)NC(=O)NN.Cl 92444
c1cc(ccc1NC(=O)NN)Cl.Cl 92445
C1CCC(CC1)NC(=S)NN 92487
c1cc(c(cc1NC(=O)NN)Cl)Cl.Cl 92538
COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 92591
CN(C)c1ccc(cc1)N=C=S 92604
Cc1cccc(c1CC#N)C 92634
CCOc1ccccc1CC(=O)O 92682
CCc1ccc(c(c1)C(=O)C)O 92688
COc1ccc2c(c1)cco2 92829
COc1cccc(c1)CNC(=S)N 92836
Cc1cccc(c1)CCC(=O)O 92937
CS(=O)(=O)c1ccc(cc1)CCl 92944
c1ccc2cc(ccc2c1)C(=O)NN 92962
B(c1ccc(c2c1cccc2)C)(O)O 92981
B1(OC(C(O1)(C)C)(C)C)c2ccccc2CN3C(=O)c4ccccc4C3=O 92985
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)CN3C(=O)c4ccccc4C3=O 92986
CC(=O)c1csc(n1)c2ccccc2 93037
Cc1ncc(c(n1)N)C#N 93099
Cn1c(cc(n1)C2CC2)N 93107
CC(C)(C(=O)O)Oc1ccc(cc1)N 93186
c1ccc2c(c1)OCC(O2)C(=O)O 93226
c1ccc2c(c1)n(c(=O)o2)CCC(=O)O 93238
c1ccc(cc1)C(=O)Oc2ccccc2CCC(=O)O 93243
COc1cc(ccc1OCc2ccccc2)/C=C/C(=O)O 93253
c1cc(ncc1C#N)Cl 93462
Cc1c2c(c(cnc2n(n1)C)C(=O)Cl)Cl 93484
c1cc(c(nc1)Cl)O 93509
c1c(nc(nc1O)C2CC2)CCl 93538
c1csc(c1[N+](=O)[O-])Cl 93579
c1ccc2c(c1)OCC(O2)C#N 93656
Cc1c(snn1)C#N 93678
CC(C)(C(=O)O)Oc1ccc(cc1)C#N 93683
c1cc(c(cc1Cl)Cl)S(=O)(=O)CC#N 93717
c1cc(c(cc1Cl)Cl)S(=O)(=O)Cl 93718
c1cc(ccc1N)n2cnc(c2Cl)Cl 93742
c1cc2c(cc1C=O)CCO2 93798
CN(C1=NCCN1)N.Br 93804
COc1cccc(c1SC)OC 93827
Cc1ccc2c(c1)c(cs2)C 93844
Cc1c(c(on1)C)I 93860
c1ccc2c(c1)CC(C2)C(=O)O 94112
CC(C)c1cccc(c1O)[N+](=O)[O-] 94132
CC(C)c1ccc(cc1)/C=C/[N+](=O)[O-] 94134
c1cnoc1C(=O)Cl 94142
COc1ccc(cc1)CN=C=S 94154
COc1c(cccn1)C(=O)O 94185
Cc1cccc(c1)CS 94221
c1cc(cc(c1)[N+](=O)[O-])/C=C/[N+](=O)[O-] 94397
c1ccc(cc1)C2CC(=O)CC(=O)C2 94444
Cc1c2cc(ccc2sc1C(=O)CBr)Cl 94619
c1c(cnc(c1Cl)C=O)C(F)(F)F 94655
CCOC(=O)c1cc(cnc1)Br 94697
c1ccc(cc1)c2ccc(cc2)I 94961
c1ccc(cc1)Oc2cccc(c2)CCl 95001
c1cc(cnc1)CN=C=S.Br 95027
C1CN(CCC1CN)C(=N)N.Cl.Cl 95162
c1c(cc(c(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-] 95278
CC[C@H](C)[C@H](C(=O)O)O 95667
CCOC(=O)C(c1ccccc1)N.Cl 95733
Cc1c(nc(o1)c2ccccc2)CCO 95735
COC(=O)c1ccnc(c1)Cl 95988
B(c1cccc(c1)OCc2ccccc2)(O)O 96084
COC(=O)c1ccc(cc1)S 96670
c1c(cnc(c1N)Cl)Cl 97015
CC(C)(C)c1cc2nc(cc(n2n1)Cl)C(F)(F)F 97045
c1cc(ccc1C#N)S(=O)(=O)N 97089
c1ccc(cc1)/C=C/c2ccc(cc2)N 97353
CN(C)CCN1CCNCC1 97360
CS(=O)(=O)c1ccccc1O 97474
c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)Cl 97525
c1cc(ncc1CO)C(F)(F)F 97734
CS(=O)(=O)c1cc(c(c(c1)Cl)O)Cl 97755
c1cc2c(cc(=O)oc2cc1O)c3ccncc3.O 97757
c1cc(cnc1)c2cc(=O)oc3c2ccc(c3)O 97758
c1cc(cc(c1)C(F)(F)F)c2cc(=O)oc3c2ccc(c3)O 97759
CCOC(=O)c1cc(=O)oc2c1ccc(c2)O 97760
c1ccc2c(c1)n3cc(nc3s2)CO 97777
Cc1cc(nc(n1)Sc2ccc(cc2)O)C 97778
c1cc2cc(c(=O)n3c2c(c1)CCC3)CO 97779
c1cc(ncc1C=O)C(F)(F)F 97780
CC(=O)c1ccc(cc1)S(=O)(=O)C 97781
CC(=O)C(=O)c1ccc(cc1)Cl 97782
CS(=O)(=O)CC(=O)c1ccncc1 97783
CC(=O)C(=O)c1cccc(c1)C(F)(F)F 97784
CS(=O)(=O)CC(=O)c1ccccn1 97785
CS(=O)(=O)CC(=O)c1cccnc1 97786
CS(=O)(=O)CC(=O)c1cccc(c1)C(F)(F)F 97787
CS(=O)(=O)CC(=O)c1ccccc1C(F)(F)F 97788
CS(=O)(=O)CC(=O)c1ccc(cc1)C(F)(F)F 97789
CC(=O)C(=O)c1ccc(cc1)C(F)(F)F 97790
Cc1cccc(n1)C(=O)CS(=O)(=O)C 97791
CS(=O)(=O)CC(=O)c1cccc(c1)F 97792
CS(=O)(=O)CC(=O)c1cc(cnc1)Br 98112
CS(=O)(=O)CC(=O)c1ccc(cc1)Cl 98113
CC(=O)C(=O)c1cc(cc(c1)Cl)Cl 98114
CC(=O)C(=O)c1ccc(cc1)[N+](=O)[O-] 98115
c1cc2c(ccc(=O)o2)cc1C=O 98116
Cc1c(cc2cnccc2n1)C(=O)C 98117
CC(=O)c1cc2cnccc2[nH]c1=O 98119
c1cc2cc(c(=O)n3c2c(c1)CCC3)C=O 98121
c1cc(ncc1CN)C(F)(F)F 98122
c1cc(ncc1N)C(F)(F)F 98123
c1cc(nc(c1N)Cl)C(F)(F)F 98126
CS(=O)(=O)c1ccccc1N.Cl 98127
CS(=O)(=O)c1ccc(cc1)N.Cl 98128
CS(=O)(=O)c1ccc(c(c1)Cl)N 98129
CS(=O)(=O)c1ccc(cc1)CN.Cl 98130
CS(=O)(=O)c1cccc(c1)N.Cl 98131
c1cc2c(cc1[N+](=O)[O-])NCC2 98132
CS(=O)(=O)c1ccc(c(c1)N)F 98133
c1cc(c(c(c1)N)C(=O)O)C(F)(F)F.O.O.O 98134
CC(=O)N1CCc2c1ccc(c2)N 98142
c1cc(c(c(c1)C(=O)O)N)C(=O)O.O.O.O 98143
CC(=O)N1CCc2c1c(ccc2)N 98144
COc1cccc(c1C(=O)O)N 98145
CN1CCC(CC1)NC2CC2 98146
c1cc2c(cc1[N+](=O)[O-])CCN2 98148
CC(=O)N1CCc2c1cc(cc2)N 98149
c1ccc(cc1)CN2CCC(CC2)NC3CC3 98150
CC(=O)N1CCC(CC1)NC2CC2 98151
CCCN1CCC(CC1)NC2CC2 98152
c1ccc2c(c1)c(c[nH]2)C3CCNCC3 98153
COc1cccc(c1N)CCN2CCCC2 98154
Cc1cc(nc(n1)Nc2ccc(cc2)N)C 98155
Cc1cc(nc(n1)N(C)c2ccc(cc2)N)C 98156
CCN(c1ccc(cc1)N)c2nc(cc(n2)C)C 98157
Cc1cc(nc(n1)Sc2cccc(c2)N)C 98158
Cc1cc(nc(n1)Sc2ccc(cc2)N)C 98168
c1cc2cc3c(nc2nc1)CCNC3 98169
c1cncc2c1nc3c(c2)CNCC3 98170
c1cc2c(cc1F)CCN2 98171
C1CNCCNC1=O 98172
CS(=O)(=O)c1ccc2c(c1)CCN2 98173
c1cc2ccnc(c2nc1)N 98174
CC(c1ccc(cc1)S(=O)(=O)C)N 98181
c1cc(cc(c1)S(=O)(=O)C(F)(F)F)NC2CCNCC2 98182
CS(=O)(=O)N1CCc2c1ccc(c2)N 98183
COc1cc(nc(n1)c2ccc(cc2)N)OC 98184
COc1cc(nc(n1)c2cccc(c2)N)OC 98185
c1ccc(cc1)S(=O)(=O)N(C2CC2)C3CCNCC3 98186
c1cc(ccc1S(=O)(=O)N(C2CC2)C3CCNCC3)Cl 98187
c1cc(cc(c1)S(=O)(=O)N(C2CC2)C3CCNCC3)C(F)(F)F 98188
COc1cc(nc(n1)C(c2ccccc2)N3CCNCC3)OC 98189
COc1cc(nc(n1)CN2CCNCC2)OC 98190
COC(=O)CC(=O)c1cccnc1 98199
COc1cc(nc(n1)Sc2ccccc2C(=O)O)OC 98209
CCC(N1CCN(CC1)c2ccccc2OC)Cl.Cl.Cl 98334
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO 98514
COC(=O)c1cc(nc(n1)Cl)Cl 98519
c1cc(ncc1/C(=N\O)/N)C(F)(F)F 98521
c1cc(nc(c1C(=O)N)O)C(F)(F)F 98522
c1cc(ccc1C=O)c2ccc(cc2)F 99241
Cc1ccc(cc1)c2ccc(cc2)CN.Cl 99263
c1cc(cnc1)C(CN)N2CCCC2 99273
COc1ccc(c(c1)N)N 99313
c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)Cl 99783
c1cc(c(cc1[N+](=O)[O-])O)Cl 99831
c1cc(cc(c1)Cl)CCC(=O)O 99838
CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)O A0107
c1cc2c(cc1N)[nH]c(=O)[nH]2 A0603
c1cc(c(cc1S(=O)(=O)Cl)Cl)[N+](=O)[O-] A1057
c1cc2c(c(c1)C(=O)O)OCC2 A1180
c1ccc(c(c1)C#N)c2ccc(cc2)CBr A1191
c1c2c(cc(c1F)Cl)n(cc(c2=O)C(=O)O)C3CC3 A1487
c1ccc(c(c1)[C@H](C(=O)O)O)Cl A1515
c1c(=O)[nH]c(=O)[nH]c1Cl A1883
c1c(c(nc(n1)Cl)Cl)F A2022
c1cnc([nH]1)C=O A2026
Cc1ccc2c(c1)c(c[nH]2)C=O A2027
B(c1cccc(c1)[N+](=O)[O-])(O)O A2392
CC(C)(C)OC(=O)NCCCN A2440
c1csc(c1C(=O)O)Cl A2471
CC(=O)n1cc(c2c1ccc(c2)Br)O A2555
CC(=O)n1cc(c2c1cccc2)O A2556
c1cc2c(cc1F)c(c[nH]2)/C=C/[N+](=O)[O-] A2585
B(c1ccc(cc1)C(=O)C)(O)O A2700
c1cc(ccc1CC(=O)O)C(=O)O A3335
c1cc(c(nc1)O)N A3390
c1[nH]c(c(n1)N)C(=O)N A3528
c1cncc(c1Cl)[N+](=O)[O-].Cl A3561
c1cc2cc(ccc2nc1)Br A3562
COc1cc(nc(n1)CCl)OC A3730
c1c(c(cc(c1F)F)N)N A3893
CCOC(=O)c1cnc2ccc(cc2c1O)F A3928
B(c1ccccc1F)(O)O A3938
Cc1cc([n+](c(c1)S(=O)(=O)[O-])F)C A3946
B(c1cccc(c1)C(F)(F)F)(O)O A4152
B(c1ccc(cc1)C(F)(F)F)(O)O A4153
c1cc(ncc1C(=O)O)C(F)(F)F A4169
c1cc(c(cc1CN)O)O.Br A4213
B(c1cccc2c1sc3c2cccc3)(O)O A4268
B(c1cc(ccc1OC)OC)(O)O A4269
c1cc(ccc1C2(CCNCC2)O)F A4413
B(c1cccc(c1)C(=O)C)(O)O A4505
CCCC[Sn](CCCC)(CCCC)c1ccncc1C(=O)C A4506
CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2n1S(=O)(=O)c3ccccc3 A4507
B(c1cc2ccccc2s1)(O)O A4508
CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2s1 A4509
B(c1cccc(c1)c2ccccc2)(O)O A4510
B(c1cnc(nc1OCc2ccccc2)OCc3ccccc3)(O)O A4511
B(c1cc(c(cc1CCCCCC)B(O)O)CCCCCC)(O)O A4512
c1ccc2c(c1)c(cs2)Br A4513
c1ccc(cc1)COc2c(cnc(n2)OCc3ccccc3)Br A4514
c1c(c(nc(n1)Cl)Cl)Br A4515
COc1c(cnc(n1)OC)Br A4516
COc1ccc(c(c1)C=O)Br A4517
B(c1ccc(cc1)CBr)(O)O A4518
c1cc2cccnc2c(c1)Br A4519
B(c1cccn1C(=O)OC(C)(C)C)(O)O A4520
B(c1cccc(c1)C(=O)O)(O)O A4521
B(c1cc(ccc1OC)Cl)(O)O A4523
B(c1ccccc1Cl)(O)O A4524
B(c1ccc(s1)Cl)(O)O A4525
B(c1cccc(c1)C#N)(O)O A4526
B(c1ccc(cc1)C#N)(O)O A4527
B(C1CCCC1)(O)O A4528
B(c1cccc2c1oc3c2cccc3)(O)O A4529
c1cc2c(cc1Cl)ncc(c2Br)Br A4530
B(c1ccc(cc1F)F)(O)O A4531
B(c1c(cccc1F)F)(O)O A4532
B(c1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)O)(O)O A4535
B(c1ccc(cc1)c2cc(c3ccccc3n2)C(=O)O)(O)O A4536
B(CBr)(OC(C)C)OC(C)C A4537
B(c1c(cccc1OC)OC)(O)O A4538
B(c1ccc(c(c1)OC)OC)(O)O A4539
B(c1cnc(nc1OC)OC)(O)O A4540
B(c1c(noc1C)C)(O)O A4541
B(c1ccc(o1)C=O)(O)O A4542
B(c1c(cco1)C=O)(O)O A4543
B(c1cscc1C=O)(O)O A4544
B(c1ccco1)(O)O A4545
B(c1ccoc1)(O)O A4546
B(c1ccc2c(c1)cc[nH]2)(O)O A4547
B(c1ccc(cc1)I)(O)O A4548
c1cnc(cn1)I A4549
B(c1cc(ccc1OC)C=O)(O)O A4551
B(c1ccc(cc1C=O)OC)(O)O A4552
B(c1cc(ccc1C=O)OC)(O)O A4553
B(c1ccccc1OC)(O)O A4554
B(c1cccc(c1)OC)(O)O A4555
B(c1ccc2c(c1)OCO2)(O)O A4558
B(c1ccc(cc1)S(=O)(=O)C)(O)O A4559
B(c1cc(cs1)C)(O)O A4560
B(c1ccc(s1)C)(O)O A4561
CCCC[Sn](CCCC)(CCCC)c1ccc(s1)C A4562
B(c1ccc2ccccc2c1)(O)O A4563
B(CCc1ccccc1)(O)O A4564
B(c1cccc2c1Oc3ccccc3S2)(O)O A4565
B(c1ccc(cc1)B(O)O)(O)O A4566
c1ccc(cc1)[S+]2CCCC2.F[P-](F)(F)(F)(F)F A4567
B1OC(C(O1)(C)C)(C)C A4568
B(c1cccnc1)(O)O A4569
B(c1cccnc1)(OC)OC A4570
B(c1ccncc1)(O)O A4571
B(c1cccc2c1nccc2)(O)O A4572
B(c1ccc[se]1)(O)O A4573
c1(c(c(sc1Br)Br)Br)Br A4574
B(B(N(C)C)N(C)C)(N(C)C)N(C)C A4575
B(c1cccc2c1Sc3ccccc3S2)(O)O A4576
B(c1cccs1)(O)O A4578
B(c1ccsc1)(O)O A4579
CCCC[Sn](CCCC)(CCCC)C1=COCCO1 A4581
CCCC[Sn](CCCC)(CCCC)c1ccccn1 A4582
CCCC[Sn](CCCC)(CCCC)c1ccncc1 A4583
CCCC[Sn](CCCC)(CCCC)c1nccs1 A4584
B(c1c(cc(cc1Cl)Cl)Cl)(O)O A4585
B(c1ccccc1C(F)(F)F)(O)O A4586
B(c1ccc(cc1)C[N+](C)(C)C)(O)O.[Br-] A4587
B(N(C)C)(N(C)C)N(C)C A4588
B(c1ccccc1N)(O)O A5835
B(c1ccc(cc1)N)(O)O A5836
CC(C)(C)OC(=O)Nc1cc(cc(c1)NC(=O)OC(C)(C)C)C(=O)O A5846
CC(C)(C)OC(=O)N1CCN(CC1CC(=O)O)C(=O)OCC2c3ccccc3-c4c2cccc4 A5848
CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2c3ccccc3-c4c2cccc4 A5849
CC(C)(C)OC(=O)NCCC1CCCNC1 A5850
CC(C)(C)OC(=O)NCC1CCCNC1 A5851
CC(C)(C)OC(=O)NCCC1CCNCC1 A5852
CC(C)(C)OC(=O)NCC1CCNCC1 A5853
CC(C)(C)OC(=O)N1CCNC(C1)C(=O)O A5854
CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 A5855
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCNC(C4)C(=O)O A5856
c1cc(cc(c1)S(=O)(=O)NCCCBr)N A5857
c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC4c5ccccc5-c6c4cccc6 A5858
COc1cc(ccc1C=O)OCCCC(=O)O A5859
COc1cc(cc(c1C=O)OC)OCCCC(=O)O A5860
C(CCCCC(=O)O)CCCCN A5861
c1cc(ccc1CC(C(=O)O)N)C(=O)O A5862
C[C@H](C(=O)O)N(C)C(=O)OCc1ccccc1 A5863
CN([C@H](CCc1ccccc1)C(=O)O)C(=O)OCc2ccccc2 A5864
c1cc(ccc1C[C@H](C(=O)O)N)C#N A5865
c1cc(ccc1C[C@@H](C(=O)O)N)C#N A5866
c1cc(ccc1CC(C(=O)O)N)S(=O)O A5867
c1cc(ccc1CC(C(=O)O)N)S(=O)O A5868
C[C@H](CC(=O)O)NC(=O)OC(C)(C)C A5869
C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C A5870
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CC(=O)O A5872
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CC(=O)O A5873
CC(C)CC(C(=O)O)O A5874
C=CCCC(=O)Cl A5876
CC(C)CC(C(=O)O)NC(=O)NC(CC(C)C)C(=O)O A5879
CC1(CCCCC1)CO A5882
B(c1csc2c1cccc2)(O)O A5891
CCC(C(=O)O)NC(=O)OC(C)(C)C A5927
CC(CC(=O)O)NC(=O)OC(C)(C)C A5928
CC(C)(C)OC(=O)NCc1ccc(cc1)C(=O)O A5929
C1CC(=O)N[C@@H]1CBr A5930
c1ccc2c(c1)-c3ccccc3C2COC(=O)Nc4cccc(c4)C(=O)O A5931
CC(CC(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3 A5932
CC(C)(C)OC(=O)N1CCNC(C1)C(=O)OC A5933
C1CC(CNC1)CCC(=O)O.Cl A5934
COC(=O)CC1CN(CCN1)C(=O)OCC2c3ccccc3-c4c2cccc4 A5935
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCNC(C4)CC(=O)O A5936
c1cc(c(cc1OC2CCOCC2)O)C=O A5937
C(CCCCN)CCCC(=O)O A5938
CC(C)(C)NCC(=O)[O-].[Na+] A5939
CC(=O)NC(Cc1ccc(cc1)C#N)C(=O)O A5940
CCC(C)C(C(=O)Nc1ccncc1)N A5941
CC(C)C(C(=O)Nc1ccncc1)N A5942
c1cc(ccc1CC(C(=O)O)O)O A5943
B(c1ccc(cc1)COC(C)(C)C)(O)O AA051
c1cnc(cc1N)C(=O)O AA183
c1cc(ncc1N)C(=O)O AA187
COc1cc(ccc1Br)O AA252
c1cc2c(ccc(c2N)N)nc1 AA287
c1c(cnc(c1Br)N)S(=O)(=O)O AA289
c1cc(nnc1n2ccnc2)Cl AA290
c1c(cnc(c1Br)O)S(=O)(=O)O AA291
B(c1cnccc1OC)(O)O.Cl AA295
c1cnc(cc1I)Br AA296
c1c(c(c(cn1)Br)[N+](=O)[O-])Br AA297
B(c1ccc2c(c1)c3cc(ccc3s2)B(O)O)(O)O AA298
c1c[n+](cc(c1[N+](=O)[O-])Br)[O-] AA304
c1cnc(cc1N)Br AA305
B(c1ccc(s1)B(O)O)(O)O AA306
c1cc(ncc1Br)[N+](=O)[O-] AA307
B(c1ccc(s1)C(=O)O)(O)O AA309
B(c1ccc(cc1)C2C(=O)NC(=O)N2)(O)O AA310
c1cnccc1[N+](=O)[O-] AA311
CCOC(=O)c1cc2cc(ccc2nc1C)F AA313
Cc1c(cc2cc(ccc2n1)F)C(=O)O AA314
Cc1cc(c2cc(ccc2n1)F)C(=O)O AA315
c1c(c(c(cn1)Br)N)Br AA316
c1ccc2c(c1)CCNC2CC(=O)O AA329
c1ccc2c(c1)CCN=C2CC#N AA330
c1ccc2c(c1)CCNC2c3cccs3 AA331
c1ccc2c(c1)CCNC2c3ccncc3 AA332
c1c(cc(nc1C(=O)N)C(=O)N)Br AA333
c1cc(c(nc1)C(=O)O)c2cccnc2C(=O)O AA334
c1cnc(cc1Br)C(=O)N AA335
c1c(cnc(c1Cl)Cl)S(=O)(=O)Cl AA336
c1cc(ncc1S(=O)(=O)O)Br AA337
c1cc(nc(c1N)Cl)Br AA338
c1c(c(nc(c1Br)N)N)Br AA339
c1c(cnc(c1Cl)N)S(=O)(=O)O AA340
c1cc(ncc1S(=O)(=O)O)N AA344
c1cc(nc(c1Br)N)N AA345
CC(=O)Nc1ccnc(c1)Cl AA346
c1cc2cc(cnc2nc1)Br AA389
c1cnc(cc1Br)C(=O)O AA390
c1cnc(cc1O)C(=O)O AA391
c1cnc(cc1Cl)N AA392
c1cc(ncc1C(=O)O)Br AA393
c1cc(nc2c1c(cc(n2)O)CC(=O)O)N AA394
c1cc(nc2c1c(cc(n2)O)CC(=O)O)O AA395
CCOc1c(cc(c(n1)O)C(=O)OCC)C#N AA462
CC(C)c1ccccc1NN.Cl AA502
c1ccnc(c1)c2ccc(s2)S(=O)(=O)N AA524
B(c1ccc2cc[nH]c2c1)(O)O AA526
Cc1c(c2ccccc2o1)C=O AA559
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N3CCN(CC3)C(=O)OC(C)(C)C AA772
c1(c(nc(c(n1)N)[N+](=O)[O-])[N+](=O)[O-])N AA812
c1ccc(cc1)c2cc[nH]n2 AB023
c1cc(c(cc1C(F)(F)F)N=C=O)F AB038
c1cc(c(nc1)Cl)Br AB055
Cc1ccc(nn1)N AB069
c1cc2c(cc1Br)scn2 AB096
c1cnc([nH]1)CO.Cl AB107
c1cnn(c1)c2ccc(cc2)C=O AB146
c1cc(ccc1C=O)n2cncn2 AB152
CN1CCN(CC1)c2ccc(cc2)C=O AB155
CN1CCN(CC1)c2ccc(cc2)CN AB157
c1ccc(c(c1)CO)N2CCOCC2 AB195
c1cc2c(ccs2)cc1N AB204
CC(C)(C)C(=O)Nc1c(cccn1)C=O AB283
c1ccc2c(c1)c(no2)Cl AB331
Cc1nccc(n1)c2cccc(c2)S(=O)(=O)Cl AB353
Cc1nccs1 AC026
c1cc2c(cco2)cc1C=O AC196
CC(C)N1CCC(CC1)N AC369
c1cc(cnc1)c2ccnc(n2)N AC860
Cc1c(cccn1)Br AC944
Cc1cc(ccn1)Br AC945
c1cc(c(nc1)Cl)N AC946
c1cncc(c1C(=O)O)Cl AC950
Cc1ccc(cc1)c2ccccc2C(=O)OC AG163
c1cc2c(cc1C(F)(F)F)[nH]nc2N AG173
c1cc(ncc1C=O)Cl AG215
CCOCn1ccnc1I AG219
B1(OC(C(O1)(C)C)(C)C)c2c[nH]nc2 AG242
B1(OC(C(O1)(C)C)(C)C)c2cccnc2 AG243
CC(C)(C)OC(=O)Nc1ccc(cc1)I AG249
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)N(C)C(=O)OC(C)(C)C AG254
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)C AG263
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)cc[nH]3 AG270
CC(C)(C)OC(=O)Nc1ccc(cc1)Br AG282
CCOC(=O)c1c[nH]nc1 AG626
C1CCC(CC1)CS(=O)(=O)Cl AG986
c1cc(c(nc1)O)F AH193
c1cc(ncc1F)O AH194
c1cc(c(nc1)Cl)F AH195
B(c1cccc(c1OC)OC)(O)O AH423
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C=O AH561
c1[nH]nc(n1)C#N AH645
c1cc(c2cccnc2c1)C=O AI899
c1ccc(cc1)Nc2ccc(cc2)F AI954
c1cc(ncc1F)Cl AJ050
CC(=O)Nc1ncc(s1)S(=O)(=O)Cl AJ077
c1ccc2c(c1)c(n[nH]2)N AJ137
B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O AJ142
CC(C)(C)OC(=O)N1CCN(C[C@H]1C(=O)O)C(=O)OCC2c3ccccc3-c4c2cccc4 AJ756
c1ccc(cc1)COC(=O)N2CCC(C2)C(=O)O AJ757
CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)c2ccccc2 AJ758
CC(C)(C)OC(=O)N1CC(CC(C1)C(=O)O)c2ccccc2 AJ759
c1c(cnc(c1Cl)C(=O)O)C(F)(F)F AJ761
c1cn(cn1)CCN.Cl.Cl AJ772
C1C[C@@H](NC1)CN AJ776
B(c1cc(ccc1C)F)(O)O AJ783
c1cc(oc1CN2CCCCC2)C(=O)O AJ851
c1ccc(cc1)C(c2ccccc2)N3CC(C3)N AJ857
CCOC(=O)Cc1c[nH]c(n1)NC(=O)OC(C)(C)C AJ946
B(c1ccc(c(c1F)F)F)(O)O AK072
B(c1c(ccc(c1F)F)F)(O)O AK073
B(c1cc(cc(c1F)F)F)(O)O AK074
B(c1c(cc(cc1F)F)F)(O)O AK075
B(c1cc(c(cc1F)F)F)(O)O AK076
c1ccc(cc1)S(=O)(=O)CCN.Cl AK145
c1ccc(cc1)C(CN)N2CCCC2.Cl AK167
COc1cncc(n1)Cl AK180
COc1c(nc(c(n1)Cl)[N+](=O)[O-])[N+](=O)[O-] AK181
c1ccc(c(c1)C(CN)N2CCCC2)Cl.Cl.Cl AK254
c1ccc(cc1)C(c2ccc(c(c2)Cl)Cl)N3CCNCC3.Cl AK314
COc1ccc(cc1)C(c2ccccc2)N3CCNCC3.Cl AK316
c1cc(ccc1c2cc(sc2)C(=O)Cl)Br AK394
c1cnccc1SC2CCNCC2.Cl.Cl AK458
c1cc(ccc1C(F)(F)F)OC2CCNCC2.Cl AK465
c1ccnc(c1)OC2CCNCC2.Cl.Cl AK466
c1cnccc1OC2CCNCC2.Cl.Cl AK467
c1cc(cnc1)CC2CCNCC2.Cl.Cl AK468
c1cnccc1CC2CCNCC2.Cl.Cl AK469
c1c(scn1)C(=O)O AK480
COC(=O)c1cncs1 AK482
c1cc2c(cc1Br)nco2 AK590
c1ccnc(c1)CC2CCNCC2.Cl.Cl AK648
B(c1cccc(c1)C(=O)N)(O)O AK657
B(c1cccc(c1)N2CCOCC2)(O)O.Cl AK665
B(c1ccc(cc1)N2CCOCC2)(O)O AK666
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)N3CCOCC3 AK668
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)N3CCOCC3 AK669
c1cc(c(nc1)N)Cl AK673
CN1CCC(CC1)CO AK676
B(c1cccc(c1)CC#N)(O)O AK871
c1ccn(c1)c2cccnc2Cl AK902
c1c(cncc1F)O AK907
Cn1c2cc(ccc2cn1)[N+](=O)[O-] AK916
CN1=Cc2ccc(cc2N1)[N+](=O)[O-] AK917
c1cc(nc(c1)F)C=O AL255
B(c1ccc(cc1)/C=C/C(=O)OC)(O)O AL296
c1ccc(cc1)Cc2ccc(cc2)CC(=O)O AL386
c1ccc(cc1)C2CNC(=O)C2C(=O)O AL404
B(c1ccc(c(c1)C#N)F)(O)O AL426
CN1CCN(CC1)CCN AL443
c1ccc(cc1)Oc2cccc(c2)CN.Cl AL449
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N AL502
C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N AL503
CS(=O)(=O)c1cc(ccc1N2CCNCC2)F AL574
c1cc2c(cc1F)CC(=O)N2 AL630
c1cc2c(c(c1)Br)CCC2=O AL636
B(c1ccc(c(c1)C(=O)O)F)(O)O AL848
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)CC(=O)O AM183
c1c2c(cc(c1F)F)NC(=O)C2 AM192
c1ccc2c(c1)cc([nH]2)N.Cl AM196
CC(=O)c1cccc(c1)S(=O)(=O)Cl AM207
c1cncnc1C(=O)O AM228
CNCc1ccncc1.Cl AM427
CNCCc1cccnc1.Cl AM428
c1ccc2c(c1)c(ccn2)Nc3ccc(cc3)C(=O)O AM563
COC(=O)c1cccc(c1)C(=N)N AM675
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)Br AM760
Cc1cccc(c1S(=O)(=O)Cl)C AM789
c1ccc(c(c1)CN2C(=O)c3ccccc3C2=O)C(=O)O AM822
c1cn(cn1)C#N AM823
c1ccc(cc1)c2cccnc2C(=O)O AM824
c1ccc(cc1)c2cccc(n2)C(=O)O AM825
c1ccc(cc1)c2c(cccn2)C(=O)O AM826
CC(=O)Nc1cc(ccn1)C(=O)O AM860
c1ncn(n1)CC(=O)O AM911
COc1cc[nH]c(=O)c1C#N AN002
Cc1c(cc(s1)[N+](=O)[O-])[N+](=O)[O-] AN005
c1ccc(c(c1)OC2CCNCC2)Cl.Cl AN036
Cc1cc(cc(c1Cl)C)[N+](=O)[O-] AN124
COc1cc(cc(c1)[N+](=O)[O-])N AN145
C1COCCN1S(=O)(=O)Cl AN197
CCN(CC)Cc1ccc(o1)C(=O)O AN558
c1cc(oc1CN2CCCC2)C(=O)O AN559
Cc1ccc(cc1)c2ccnc(n2)N AP091
c1cc(cc(c1)Br)c2ccnc(n2)N AP092
B(c1ccccn1)(O)O AP148
c1cc(c(cc1Cl)C=O)N AP152
CCOC(=O)c1c(nc[nH]1)N AP157
CC(C)(C)OC(=O)N1CCC[C@@H]1CCN AP329
c1nc2c(c3c(s2)CCCC3)c(n1)Cl AP350
C1COC(OC1)CBr AP358
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)C(=O)OC(C)(C)C AT839
c1c(c(cc(c1Cl)O)O)C(=O)O AT919
c1csc(c1Cl)C#N AT920
c1cc(c(cc1Br)N)C(=O)O AU196
Cn1cc(cn1)C(=O)O AU239
c1ccc(cc1)Cc2nc(cs2)C(=O)O AU249
c1cc(ccc1Cc2nc(cs2)C(=O)O)Cl AU250
COc1ccc(cc1)Cc2nc(cs2)C(=O)O AU251
B(c1ccc(cc1C)O)(O)O AW391
COc1ccc(cc1)c2nc(cs2)C(=O)O AW399
CS(=O)(=O)c1ccc2cc[nH]c2c1 AX014
B(c1c(cc(cc1OC)C)C)(O)O AX030
c1(c(non1)[N+](=O)[O-])N AX113
c1cc2c(cc1C(=O)O)CC(=O)N2 AX136
c1c(c[nH]c1C=O)Br AY520
Cc1cc(ncc1[N+](=O)[O-])Br AY522
Cc1cc(ncc1[N+](=O)[O-])F AY523
Cc1cc(ncc1[N+](=O)[O-])OC AY524
CCCCc1[nH]c(c(n1)Cl)C=O AY528
c1cc(c(nc1)N)Br AY608
c1cc(ccc1CO[NH3+])C(F)(F)F.[Cl-] AY611
Cc1c[nH]nc1c2ccccc2 AY612
c1cc(ccc1N2C(=O)CC(=O)N2)I AY722
c1cc(ccc1N2C(=O)CC(=O)N2)Br AY723
Cc1cccc(c1)/C(=N/O)/N AY921
Cc1cnc(nc1N)Cl AY976
c1cc(ccc1C(=O)CBr)C(=O)O AY985
B(c1ccccc1N(C)C)(O)O AZ049
COc1ccc2c(c1)C(=O)NCCC2 AZ059
CC1CN(CC(C1=O)C)C AZ341
CC(C)(C)Oc1c(cnc(n1)OC(C)(C)C)Br AZ386
CC(C)(C)OC(=O)N1CCCC(=O)CC1 AZ391
c1cc(ccc1c2[nH]c3ccc(cc3n2)N)O AZ409
c1cc(cc(c1)O)c2[nH]c3ccc(cc3n2)N AZ410
COc1ccc(cc1)CNCc2ccc(cc2)OC AZ507
B(c1ccnc(c1)Cl)(O)O AZ555
c1cc(cc(c1)O)CN AZ596
Cc1cc(ccc1C#N)F AZ604
CC(c1cccc(c1)NC(=O)OC(C)(C)C)N AZ605
c1c(c(n[nH]1)[N+](=O)[O-])Br AZ624
COc1cc2c(cc1OC)C(CC2)N AZ627
COc1ccc(cc1Br)C(F)(F)F AZ633
COc1c(cccn1)Br AZ880
c1cc(cc(c1)c2cccc(c2)C(=O)O)C#N AZ995
c1cc(cc(c1)c2ccc(cc2)C(=O)O)C#N AZ997
c1cnc(cc1Br)C#N AZ999
c1cc(c(c(c1)Cl)[N+](=O)[O-])C(F)(F)F B0013
Cn1c2ccccc2c(n1)C(=O)O B0189
C1C(C1NN)C(=O)O B0195
c1ccc(cc1)C(c2ccccn2)C(=O)N B0216
c1cncc(c1Cl)[N+](=O)[O-] B0410
c1ccc(cc1)c2ccccc2S B0656
Cc1c(nc2ccccc2n1)Cl B0671
CC(=C)CN B0736
c1cc(cc(c1)S(=O)(=O)N)N B1259
c1c(cnc(n1)Cl)[N+](=O)[O-] B1437
c1ccnc(c1)Cc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] B1602
CC1CN(NC1=O)c2ccccc2 B2480
c1ccc2c(c1)CC(C2)N B2605
c1cc(c(cc1C#N)N)Cl B2837
c1cc(ccc1N2CCNCC2)Cl B3809
Cc1cnc(s1)N B4404
CC(C)(C)OC(=O)N[C@@H](Cc1csc2c1cccc2)C(=O)O B6072
CC(C)(C)OC(=O)N[C@H](Cc1cccc(c1)Cl)C(=O)O B6180
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)Cl)C(=O)O B6181
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)I)C(=O)O B6282
CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)C(=O)O B6285
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)O B6295
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)O B6301
CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)O B6308
CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)O B6311
CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)O B6356
CC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)O B6360
CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)O B6361
CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)O B6363
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccc(c4)Cl)C(=O)O B6931
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4cccc(c4)Cl)C(=O)O B6932
c1cc(nc(c1)Cl)N B7781
COC(=O)c1cccc2c1cc[nH]2 B8112
C1CCC(CC1)CN2CCNCC2 B8120
c1cc2c(cc1[N+](=O)[O-])NC(=O)CO2 B8296
c1c(cc(c(c1F)CO)F)Br BA076
c1cnc(cc1C#N)O BA111
C1CC2CC1CC2CCN BA166
c1cc(ccc1S(=O)(=O)C2CCNCC2)Cl.Cl BA180
c1cc(cc(c1)S(=O)(=O)C2CCNCC2)C(F)(F)F.Cl BA183
Cc1ncc(n1C)S(=O)(=O)Cl BA253
C1CC1C(C2CC2)N BA326
B(c1ccc(cc1)OCCCCC)(O)O BA332
B(c1ccnc(c1)C)(O)O BA478
B(c1ccncc1C)(O)O BA479
B(c1ccc(nc1)Cl)(O)O BA480
B(c1ccc(n1C(=O)OC(C)(C)C)C(OCC)OCC)(O)O BA544
CC(C)(C)O.CC(C)(C)OC(=O)NCc1cccc(c1)C(=N)N BA557
CS(=O)(=O)c1[nH]nc(n1)Cl BA560
COc1cc2c(cc1OC)nc[nH]2 BA570
Cc1cnccc1[N+](=O)[O-] BA581
B(c1ccncc1Cl)(O)O BA583
B(c1ccnc(c1Cl)Cl)(O)O BA584
B(c1ccnc(c1)F)(O)O BA585
B(c1cc(ncc1F)Br)(O)O BA587
B(c1cccc(c1)N)(O)O BA884
c1c(c[nH]c1C=O)C(=O)CCl BA899
c1nc(nc(n1)Cl)Cl BA914
CC(C)(C)OC(=O)N1CCC(=O)CC1Cc2ccccc2 BA952
COc1cccnc1OC BA972
c1cc(ccc1c2c[nH]nc2)[N+](=O)[O-] BA987
Cc1cc(cnc1Br)N BB013
CCOC(=O)c1c(c2cc(ccc2o1)Br)N BB057
COc1c(cnc(n1)OC)C=O BB068
COC(=O)c1cnc(s1)Br BB159
c1cc(c(nc1)Br)N BB394
COc1cc(c(c(c1)F)C(=O)Cl)F BB519
CC(C)C1CCCN1.Cl BB529
CN1CCN(CC1)CCCO BB541
CN1CCN(CC1)CCO BB542
CN1CCN(CC1)c2ccc(c(c2)N)N BB576
c1cnc(cc1Br)O BB577
c1cc(c(cc1c2csc(n2)N)Cl)Cl BB582
Cc1c(nc(s1)N)c2ccc(cc2)OC BB583
c1csc2n1cc(n2)C(=O)O BB656
CC(C(=O)O)N1CCOCC1 BB659
c1cc(ncc1C=O)O BB674
c1cc(ncc1C#N)Br BB679
c1cc(ccc1c2ccn[nH]2)Cl BB680
c1cc(ccc1c2cc([nH]n2)N)Br BB683
c1ccn2c(c1)c(nc2c3ccc(cc3)Cl)C=O BB685
Cc1ccc(=O)[nH]c1 BB689
CC(=O)Nc1cccc2c1cccc2S(=O)(=O)Cl BB693
Cc1cc2cccc(c2nc1)S(=O)(=O)Cl BB694
c1cc2c(ccc(c2nc1)S(=O)(=O)Cl)Cl BB695
C1CS(=O)(=O)CCN1CCCN BB711
c1c(c(cnc1O)C(=O)O)O BB713
c1c(c(cnc1Cl)N)N.Cl BB714
CNc1c(c(ncn1)N)N BB715
CCOC(=O)c1c2ccccc2sc1N BB738
c1ccc(cc1)n2cnc(n2)O BB739
Cc1c(nc(s1)N)c2ccc(cc2)Cl BB743
Cc1ccc(cc1C)c2csc(n2)N BB744
Cc1ccc(c(c1)c2csc(n2)N)C BB745
CC(C)c1ccc(cc1)c2csc(n2)N BB746
Cc1ccc(cc1)c2c(sc(n2)N)C BB747
COc1ccc(c(c1)c2csc(n2)N)OC BB748
c1cc(ccc1c2csc(n2)N)OC(F)F BB750
Cc1ccc(cc1C)c2c(sc(n2)N)C BB751
Cc1c(nc(s1)N)c2ccc(cc2)C(C)C BB752
Cc1c(nc(s1)N)c2ccc(cc2)C(C)(C)C BB753
Cc1ccc(c(c1)C)c2c(sc(n2)N)C BB754
CC(C)(C)OC(=O)N1CCC(CC1)CCN BB794
c1cc2c(cc1C(=O)O)CCCC2 BB803
Cc1c(ccc2c1OC(C2)C)C(=O)O BB815
c1cc(c2cn[nH]c2c1)C(=O)O BB838
c1cc(nnc1Br)Br BB846
COC(=O)c1cc([nH]n1)c2ccc(cc2)Cl BB847
COc1ccc(cc1)c2cc(n[nH]2)c3ccc(cc3)OC BB848
CC(C)(C)OC(=O)N1CCC(=O)CC1c2ccccc2 BB875
c1cc(cc(c1)N)c2ccncc2 BB886
C1CCS(=O)(=O)NC1 BB892
c1c(sc(n1)N)C=O BB894
c1ccc(cc1)c2ccnc(c2)N BB896
Cc1ccnc(c1[N+](=O)[O-])F BB920
Cc1ccnc(c1N)Br BB921
Cc1ccnc(c1[N+](=O)[O-])Br BB922
CN1CCN(CC1)c2nc(c(s2)C=O)Cl BB926
c1ccc(cc1)COC(=O)N2CCNC(C2)C(=O)O BB927
c1ccc(cc1)c2ccccc2S(=O)(=O)Cl BB936
B(c1ccncc1F)(O)O BB952
Cc1c(c(n[nH]1)C)N BB954
B(c1ccc2c(c1)cco2)(O)O BB955
B(c1cccc2c1cc[nH]2)(O)O BB981
B(c1ccc(cc1C)OC)(O)O BB986
B(c1ccc(cc1Cl)OC)(O)O BB987
Cc1cc([nH]n1)C=O BC000
Cn1c(ccn1)C=O BC001
CCOC(=O)c1c(cc[nH]1)N.Cl BC086
Cc1cc(ccc1C=O)O BC112
B(c1c(cncc1F)F)(O)O BC115
Cc1c(ccc(n1)F)C#N BC116
COc1ccc(c(c1)N)n2cccc2 BC151
c1ccc(cc1)c2c3ccccc3nc(=O)[nH]2 BC168
CC1CC(CC(N1)C)O BC178
COC(=O)c1cc(cnc1N)Br BC179
c1cc(ccc1C(=S)N)Br BC199
Cn1ccc2c1ccc(c2)N BC393
c1ccc2c(c1)c3cc(ccc3o2)S(=O)(=O)Cl BC394
B(c1cc2cc(ccc2[nH]1)C#N)(O)O BC401
c1cc(ccc1c2ccncc2)C(=O)O BC403
CS(=O)(=O)c1cc(ccc1C(=O)O)Br BC405
Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)CO BC406
Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)CCl BC408
COC(=O)c1ccc2c(c1)NC(=O)CS2 BC409
CC(C)(C)c1cc(nc(n1)c2ccccn2)O BC422
B(c1cccc(c1)S(=O)(=O)C)(O)O BC430
c1cc(cnc1)c2ccc(cc2)C(=O)O BC456
B(c1cccnc1OC)(O)O BC457
B(c1cc(cnc1OC)Br)(O)O BC461
Cn1cnc2c1ccc(c2)N BC462
B(c1ccc(nc1)OC)(O)O.Cl BC463
CCOC(=O)c1c2c(sc1NC(=O)CCl)CCCC2 BC470
Cc1c(nc(o1)c2ccccc2)CCl BC533
CCN(CC)C1CCNCC1 BC622
B(c1cccnc1F)(O)O BC635
B(c1ccc(nc1)F)(O)O BC637
B(c1ccc(nc1C)F)(O)O BC642
B(c1cc(c(nc1)F)C)(O)O BC643
B(c1cc(cnc1)C)(O)O BC644
B(c1ccc(nc1)SC)(O)O BC650
B(c1ccc(nc1OC)OC)(O)O BC652
B(c1ccc(nc1)c2ccccc2)(O)O BC654
B(c1cnccc1C)(O)O BC657
B(c1ccc(nc1F)F)(O)O BC660
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N3CCOCC3 BC661
B(c1cc(cnc1F)Cl)(O)O BC664
c1ccc(c(c1)C(=O)CBr)C(=O)O BC680
CC(C)(C)OC(=O)N1CCCC(C1)CCBr BC684
COc1ccncc1C=O BC686
c1cc(c(cc1F)F)C2CCNCC2 BC690
Cc1ccc2cc(c(nc2c1)Cl)C=O BC699
c1cc(c(cc1Br)O)Br BC708
CCC(=O)/C(=N\O)/C BC722
CN1CCC(CC1)CN BC730
CC(C)Oc1ccc(cc1)CN BC753
CC(C)(C)OC(=O)NCCCCN1CCNCC1 BC756
CC(C)(C)OC(=O)NC1CNC1 BC768
B(c1cnccc1OC)(O)O BC780
Cc1cc(nc(n1)c2ccccn2)Cl BC785
COC(=O)c1c(ccnc1Cl)I BC788
c1ccn2cc(nc2c1)C(=O)O.Br BC790
Cc1ccn2cc(nc2c1)C(=O)O BC791
Cc1cccn2c1nc(c2)C(=O)O BC792
Cc1cccc2n1cc(n2)C(=O)O BC793
Cc1ccc2nc(cn2c1)C(=O)O BC794
c1cc2nc(cn2cc1Br)C(=O)O BC795
c1c[nH]c2c1ccnc2Cl BC797
c1c[nH]c2c1ccnc2Br BC798
c1c[nH]c2c1ccnc2 BC799
Cc1c(c(nc(n1)N)C)Br BC813
Cc1cc(cnc1N)I BC816
Cc1ccc2c(c1)[nH]c(=O)oc2=O BC846
CC(C)(C)OC(=O)N1CC(C1)N BC847
CC(C)(C)OC(=O)N1CC(C1)CN BC848
B(C1CC1)(O)O BC863
c1ccc(cc1)C2CC(=O)CC(N2)c3ccccc3 BC886
Cc1c(ccc(n1)Br)[N+](=O)[O-] BC892
CC(C)(C)OC(=O)NC(c1cccc(c1)Cl)C(=O)O BC916
Cc1nc(sn1)N BC919
Cc1c(n2ccccc2n1)c3csc(n3)N BC964
CS(=O)(=O)c1ccc(cc1)c2csc(n2)N BC979
c1cc2c(cc1Br)cn[nH]2 BD062
CC1CCCC(N1CCN)C BD126
CC1CCCCN1CCN BD127
CC1CCCC(N1CCCN)C BD128
c1ccc2c(c1)c(n[nH]2)I BD136
COC(=O)C(Cc1c[nH]c2c1cccc2)N BD166
c1cnc(cc1C=O)O BD207
Cc1nc2cc(ccc2o1)[N+](=O)[O-] BD211
Cc1nc2cc(ccc2o1)N BD212
CC(C)c1[nH]c2ccc(cc2n1)N BD213
c1cc2c(cc1N)OCC(=O)N2 BD219
c1cc(cnc1)S(=O)(=O)Cl.Cl BD238
c1c(c(cnc1Cl)F)C=O BD278
c1c(c(nc(c1C#N)Cl)N)C#N BD302
c1ccc(c(c1)CCCC(=O)O)N.Cl BD348
Cc1ccc(c(n1)F)[N+](=O)[O-] BD478
Cc1ccc(c(n1)OC)[N+](=O)[O-] BD479
Cc1c(ccc(n1)Br)N BD502
CCOC(=O)c1cc2ccc(cc2[nH]1)Br BD503
C1CCN(C1)CCC(=O)O BD517
COC(=O)c1cc(cc(c1)[N+](=O)[O-])N BD518
c1cc2cnccc2cc1N BD580
c1ccc(cc1)C2CC(=O)C2 BD625
COc1ccc(cc1)C(CN)N2CCCC2.Cl BD701
c1ccc2c(c1)[nH]c(n2)C=O BD718
CCOC(=O)c1cc2cc(cc(c2[nH]1)F)S(=O)(=O)C BD719
CCOC(=O)c1cc2cc(cc(c2[nH]1)S(=O)(=O)C)F BD724
c1ccc2c(c1)cccc2N3CCNCC3 BD725
c1ccc(cc1)N2CCC(CC2)N BD733
c1cc(ncc1O)O BD792
CN(C)C(=O)c1ccnc(c1)Br BD795
COC(=O)c1ccnc(c1)Br BD796
COc1ncc(cn1)Br BD797
c1cc(c(cc1O)C=O)Br BD800
CCOC(=O)c1cn2ccccc2n1 BD801
COc1ccc(cc1)C(=O)N2CCNCC2 BD823
c1cc(ccc1c2ccc(cc2)C(F)(F)F)C(=O)O BD824
CCOC(=O)/C=C/c1ccc(nc1)N BD832
c1cnc(cc1C(=O)O)Br BD867
B(c1cn(c2c1cccc2)S(=O)(=O)c3ccc(cc3)C)(O)O BD962
c1cc(ccc1C2CCNCC2)Br BD966
c1cc(ccc1CC(=O)Cl)Br BD973
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)N=C=O BD974
c1cc(ccc1CCl)C(=O)N BD975
B(c1ccc(nc1)Br)(O)O BD976
c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C(=O)O BD981
C1CCCN(CC1)CCN BE005
COC(=O)c1cnc(s1)N BE017
B(c1ccc(cc1)NC(C)C)(O)O BE037
B(c1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3)(O)O BE038
c1cc(ncc1I)I BE134
c1cnc(cc1O)Cl BE135
Cc1c(ccc(n1)N)I BE137
c1cc(cnc1)c2ccnc(c2)c3cccnc3 BE138
B1(OC(C(O1)(C)C)(C)C)c2cncnc2 BE139
c1cnc(cc1Br)Cl BE140
c1cc(c(nc1)F)Br BE141
c1cnc(cc1Br)F BE142
c1cc(ncc1I)Br BE143
B(c1cccnc1Cl)(O)O BE144
B(c1ccc(nc1Cl)Cl)(O)O BE145
c1cc(ncc1I)F BE146
c1cc(nc(c1)Br)Cl BE147
c1c(cncc1Br)Cl BE148
c1cc(ncc1O)Br BE149
B(c1cccc(n1)Br)(O)O BE150
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)Br BE151
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2OC)OC BE152
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)Cl BE153
c1cc(ncc1I)N2CCNCC2 BE154
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)Cl BE155
B1(OC(C(O1)(C)C)(C)C)c2cccnc2Cl BE156
B1(OC(C(O1)(C)C)(C)C)c2cccnc2OC BE157
Cc1cc(ncc1I)N BE158
c1c(cnc(c1I)N)I BE159
Cc1cc(nc(c1I)C)N BE160
Cc1c(c(nc(n1)N)C)I BE161
c1cc(ncc1Br)I BE162
c1c(cnc(c1I)Cl)I BE163
c1c(cnc(c1I)Br)I BE164
c1cc(nc(c1Br)Br)Cl BE165
c1cc(nc(c1Br)F)Cl BE166
c1cc(nc(c1Br)Cl)Cl BE167
c1cnc(nc1Br)Br BE168
c1c(ncnc1Br)Br BE169
c1c(nc(nc1Br)Br)Br BE170
c1ccc(cc1)COc2ccnc(n2)Cl BE171
c1ccc(cc1)COc2cc(ncn2)Cl BE172
c1ccc(cc1)COc2cc(ncn2)OCc3ccccc3 BE173
c1ccc(cc1)COc2ccnc(n2)OCc3ccccc3 BE174
c1ccc(cc1)COc2c(cnc(n2)Cl)Br BE175
c1ccc(cc1)COc2c(cnc(n2)N3CCCC3)Br BE176
c1ccc(cc1)COc2c(cnc(n2)N3CCCCC3)Br BE177
c1ccc(cc1)COc2c(cnc(n2)N3CCOCC3)Br BE178
CN1CCN(CC1)c2ncc(c(n2)OCc3ccccc3)Br BE179
c1ccc(cc1)CNc2ncc(c(n2)OCc3ccccc3)Br BE180
B(c1cccnc1Br)(O)O BE181
B(c1cc(cnc1)Cl)(O)O BE182
B(c1ccnc(c1)Br)(O)O BE183
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)F BE184
B1(OC(C(O1)(C)C)(C)C)c2cccnc2F BE185
B1(OC(C(O1)(C)C)(C)C)c2cccnc2Br BE186
B1(OC(C(O1)(C)C)(C)C)c2cnccc2Cl BE187
B1(OC(C(O1)(C)C)(C)C)c2cc(cnc2)Br BE188
B1(OC(C(O1)(C)C)(C)C)c2ccncc2Cl BE189
B1(OC(C(O1)(C)C)(C)C)c2ccncc2Br BE190
B1(OC(C(O1)(C)C)(C)C)c2ccncc2F BE191
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)Br BE192
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)F BE193
B(c1cc(ncc1Cl)Cl)(O)O BE194
B(c1ccnc(c1Cl)OC)(O)O BE195
B1(OC(C(O1)(C)C)(C)C)c2cc(ncc2Cl)Cl BE196
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2Cl)Cl BE197
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2Cl)OC BE198
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)Br BE199
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)Cl BE200
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2Cl)Cl BE202
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)OC BE203
B(c1ccc(nc1)OCc2ccccc2)(O)O BE204
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)OCc3ccccc3 BE206
B(c1cccnc1OCc2ccccc2)(O)O BE207
B1(OC(C(O1)(C)C)(C)C)c2cccnc2OCc3ccccc3 BE208
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)OC BE209
B1(OC(C(O1)(C)C)(C)C)c2cnc(nc2OCc3ccccc3)Cl BE210
B1(OC(C(O1)(C)C)(C)C)c2cnc(nc2Cl)Cl BE211
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N3CCN(CC3)C(=O)OCC BE212
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NCc3ccccc3 BE213
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N(C)Cc3ccccc3 BE214
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NCc3ccc(cc3)C BE215
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N3CCCC3 BE216
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N3CCCCC3 BE217
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N3CCN(CC3)Cc4ccccc4 BE218
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NCC3CCCCC3 BE219
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NC3CCCCC3 BE220
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NN3CCCCC3 BE221
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NN3CCOCC3 BE222
B1(OC(C(O1)(C)C)(C)C)c2cccnc2N3CCCC3 BE223
c1ccc(cc1)COc2ccc(cn2)O BE224
c1ccc(cc1)COc2c(cccn2)O BE225
c1ccc(cc1)COc2c(cnc(n2)Cl)O BE226
c1cc(cnc1)c2cc(ccn2)c3cccnc3c4cccnc4 BE227
B1(OC(C(O1)(C)C)(C)C)c2cc(cnc2)Cl BE228
Cc1cc(cc(c1O)C)c2csc(n2)N BE245
COc1ccc(cc1)c2cc(on2)C(=O)O BE252
c1cc(ccc1c2cc(on2)C(=O)O)F BE254
COc1ccc(cc1)c2c(cno2)C(=O)O BE255
c1cc(ccc1c2c(cno2)C(=O)O)F BE256
c1cc(ccc1n2c(c(cn2)C(=O)O)N)Cl BE259
c1ccc(cc1)n2c(c(cn2)C(=O)NN)N BE26
CCOC(=O)c1cnn(c1N)c2ccc(cc2)C BE260
Cc1ccc(cc1)n2c(c(cn2)C(=O)O)N BE261
COc1ccc(cc1)n2c(c(cn2)C(=O)O)N BE262
c1cc(cc(c1)Cl)n2c(c(cn2)C(=O)O)N BE263
c1cc(ccc1n2c(c(cn2)C(=O)O)N)F BE264
c1cc(ccc1c2cc(n[nH]2)C(=O)O)[N+](=O)[O-] BE266
c1cc(ccc1c2cc(n[nH]2)C(=O)O)Cl BE267
c1cc(ccc1c2c(c[nH]n2)C(=O)O)F BE269
c1cnccc1c2nnc(o2)S BE271
COc1ccc(cc1)c2nnc(o2)S BE272
c1cnccc1c2nnc(n2N)S BE274
B1(OC(C(O1)(C)C)(C)C)c2ccccc2C#N BE275
c1cc(cc(c1)OC(F)(F)F)c2[nH]nnn2 BE278
c1cc(cc(c1)F)c2[nH]nnn2 BE279
COc1ccc(cc1)c2cc[nH]n2 BE280
c1ccc(cc1)c2nnc(s2)N BE281
c1ccc(c(c1)n2c(c(cn2)C(=O)O)N)F BE283
c1cc2ccc(nc2nc1)C=O BE285
CC(CN)CO.Cl BE292
COc1cc(ccc1Br)Cl BE315
CC(C)(C)C(=O)CN.Br BE319
CC1CNCC(N1C#N)C BE321
c1ccc(cc1)COc2ccc(cc2[N+](=O)[O-])C=O BE390
c1cc(ccc1/C=C/C(=O)O)S(=O)(=O)Cl BE404
CCOC(=O)c1cc2c([nH]1)cccc2OCc3ccccc3 BE454
c1ccc(cc1)c2ccc([nH]2)C(=O)O BE459
CC(C)CN1CCNCC1 BE478
c1cc(cc2c1cc([nH]2)C(=O)O)Br BE502
COc1cc(cnc1)Br BE550
c1ccc(c(c1)c2ccc(cc2)F)C(=O)O BE597
c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)O BE598
c1cc(ccc1C=O)N2CCNCC2 BE619
COCC(CN)O BE633
Cc1cnc(c(n1)C)Cl BE643
c1cnn(c1)c2ccc(c(c2)Cl)C(=O)O BE736
CS(=O)(=O)c1ccc(c(c1)Cl)CBr BE759
CCOc1c(non1)N BE829
COc1c(non1)N BE830
CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)CN BE908
CCCC[Sn](CCCC)(CCCC)c1nc2ccccc2s1 BE958
CC(C)Oc1ccc(cc1N)[N+](=O)[O-] BF023
c1csc(n1)CN.Cl BF036
c1cc2c(cc1C#N)NC(=O)C2 BF092
c1cc2c(c(c1)C#N)NC(=O)C2 BF093
Cc1ccc2nc(cn2c1)C=O BF121
Cc1cccc2n1cc(n2)C=O BF122
c1c(c(cc(c1[N+](=O)[O-])Cl)F)C(=O)O BF148
CS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl BF154
c1c(cncc1Br)C=O BF162
c1cn(cn1)CC(=O)O BF164
c1cc(cc(c1)Oc2ncccn2)CO BF202
CC(C)(C)Oc1cccc(c1)CO BF206
COc1ccc(cc1CCl)C(=O)OC BF215
c1cc2c(c(c1)O)NCCC2 BF227
B(c1ccc(c2c1cccc2)F)(O)O BF276
B(c1ccc2c(c1)cccn2)(O)O BF277
B(c1ccc(c(c1)F)Cl)(O)O BF280
B(c1ccc(c(c1)F)C#N)(O)O BF281
B(c1cccc(n1)C)(O)O BF282
B(c1cc(ccc1OC)C(F)(F)F)(O)O BF311
CCC(CC)(C(=O)O)NC(=O)OC(C)(C)C BF421
COc1ccc(cn1)C=O BF428
B(c1cc(c(cc1F)F)Cl)(O)O BF430
COC(=O)C1CN(C1)C(c2ccccc2)c3ccccc3 BF434
CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)C(=O)O BF444
c1ccc(cc1)Oc2ccccc2S(=O)(=O)Cl BF463
COc1ccc(cc1)c2ccccc2CC(=O)O BF507
COc1cccc(c1)c2ccccc2CC(=O)O BF508
COc1ccccc1c2ccccc2CC(=O)O BF509
c1ccc(c(c1)CC(=O)O)c2cccc(c2)F BF510
c1ccc(c(c1)CC(=O)O)c2cc(cc(c2)Cl)Cl BF511
c1ccc(c(c1)CC(=O)O)c2cccc(c2)Cl BF512
c1ccc(c(c1)CC(=O)O)c2ccc(cc2)Cl BF513
c1ccc(c(c1)CC(=O)O)c2ccccc2Cl BF514
c1ccc(c(c1)CC(=O)O)c2cccnc2 BF515
c1ccc(c(c1)CC(=O)O)c2cc(cc(c2)F)F BF516
c1ccc(c(c1)CC(=O)O)c2ccc(c(c2)F)F BF517
B(c1ccc(cc1OC)F)(O)O BF714
c1cc2c(cc1[N+](=O)[O-])ncnc2O BF733
c1cnc(cc1Br)N BF741
C1CNCCC1NN.Cl BF815
c1cc2c(cc1[N+](=O)[O-])n(c(=O)o2)CC(=O)N BF816
c1cc(cc(c1)Cl)C2CCNCC2 BF818
c1cc(c(cc1N2CCOCC2)N)[N+](=O)[O-] BF846
c1cc(c(cc1CN)[N+](=O)[O-])N BF847
Cc1cnccc1N BF886
Cc1cc(nn1Cc2ccccc2C(=O)O)[N+](=O)[O-] BF925
c1ccc(c(c1)Cn2cc(cn2)[N+](=O)[O-])C(=O)O BF927
Cc1c(c(n(n1)Cc2ccccc2C(=O)O)C)[N+](=O)[O-] BF929
Cn1cc(cn1)c2ccn(n2)Cc3ccccc3C(=O)O BF930
Cc1c(cn(n1)C)c2ccn(n2)Cc3ccccc3C(=O)O BF931
Cc1c(cnn1C)c2ccn(n2)Cc3ccccc3C(=O)O BF932
CCn1cc(cn1)c2ccn(n2)Cc3ccccc3C(=O)O BF933
CCn1cc(c(n1)C)c2ccn(n2)Cc3ccccc3C(=O)O BF934
CCn1c(c(cn1)c2ccn(n2)Cc3ccccc3C(=O)O)C BF935
COc1ccc(c(c1)OC)C(=S)N BF936
Cc1cc(n[nH]1)[N+](=O)[O-] BF951
Cc1cc(c([nH]1)C)C=O BF954
COC(=O)c1ccc(cc1)c2ccncc2 BG064
c1cc(ccc1C(=O)O)N2CCCCC2 BG103
c1c(scn1)CO BG135
CN(C)C(=O)CCO BG143
CCOC(=O)Cc1nnc(s1)N BG144
B1(OC(C(O1)(C)C)(C)C)c2c([nH]nc2C)C BG148
CC(=O)Nc1ccc(cc1C(=O)O)F BG168
c1ccc(c(c1)C(=O)O)NC(=O)c2nc[nH]n2 BG169
c1cc(cnc1)CNc2ccc(cc2C(=O)O)N BG180
c1cc(c(cc1N)C(=O)O)N BG190
c1c(cc(c(c1C(=O)O)N)Br)Cl BG193
c1c(cc(c(c1C(=O)O)N)Cl)Br BG195
CC(C)(C)c1ccc(c(c1)C(=O)O)N BG196
Cc1cc(cc(c1N)C(=O)O)Br BG197
c1ccc2c(c1)cc([nH]2)CN BG213
CN(C)/C=C/1\C(=O)OC(=N1)c2ccccc2 BG219
c1cnc(nc1)OC2CCNCC2.Cl.Cl BG222
c1cc2ccc(cc2nc1)[N+](=O)[O-] BG260
c1c(c(cc(c1Cl)S(=O)(=O)Cl)Cl)N BG267
c1cnc(nc1)N2CCC(=O)CC2 BG274
c1ccnc(c1)CN2CCC(=O)CC2 BG275
c1cnccc1CN2CCC(=O)CC2 BG276
c1c2c(cc3c1OCO3)sc(c2Cl)C(=O)Cl BG279
c1cc2c(cc1F)sc(c2Cl)C(=O)Cl BG280
c1ccc(cc1)c2cc(sc2)C(=O)Cl BG283
Cc1c(csc1C(=O)Cl)Br BG285
C=CCNC1CCS(=O)(=O)C1 BG341
CNC1CCS(=O)(=O)C1.Cl BG342
C1COC(CO1)CN BG352
c1cncc(c1I)N BG354
CC(C)(C)OC(=O)NCC1CCN(C1)Cc2ccccc2 BG455
Cc1ccc(cc1)C(=O)c2c(c3ccccc3[nH]2)C(=O)O BG460
Cc1c([nH]c(c1C#N)N)C BG472
CS(=O)CCN BG475
c1cc(c(cc1I)[N+](=O)[O-])Cl BG490
COC(=O)c1cccc(c1N)C(=O)O BG576
c1cc2cc([nH]c2c(c1)O)C(=O)O BG583
c1c(ncnc1Cl)NN BG585
c1cc2cc(ccc2nc1)S(=O)(=O)O BG593
Cc1ccc2c(c1)CCC(=O)C2 BG597
Cc1c(sc2c1c(nc(n2)C)NN)C BG606
c1cc2ccncc2c(c1)Br BG611
c1cc2c(cc1Br)NCCC2.Cl BG613
c1cc2c(cc1Cl)NCCC2.Cl BG614
c1cnc(cc1C(=O)O)C#N BG615
CC1CCCN1N2CCCCC2 BG619
CCN1CCN(CC1)CCCN BG621
c1cc2c(cc1F)cn[nH]2 BG622
c1ccc(cc1)COc2ccc(cc2)C(=O)Cl BG624
c1ccc(cc1)C(c2ccccn2)O BG625
CC(C)(C)C(=O)Nc1ccncc1I BG675
CC(C)(C)OC(=O)Nc1ccncc1I BG676
c1ccc(cc1)C2CCNC2.Cl BG697
CCOC(=O)CC(=O)C1CCCC1 BG730
CCOC(=O)COc1cc(c(cc1Cl)F)N BG731
CC(C(=O)O)Oc1ccc(cc1Cl)[N+](=O)[O-] BG732
CC(C)(C(=O)O)Oc1ccc(cc1Cl)[N+](=O)[O-] BG733
c1cc2c(cc1C#N)cn[nH]2 BG751
Cc1c(sc(c1C#N)N)C BG753
c1cc(oc1CO)CO BG754
c1cc(cc(c1)F)CS(=O)(=O)Cl BG757
CC(C)CC(C(=O)OC)N=C=O BG758
CC(C(=O)OCc1ccccc1)N=C=O BG759
COC(=O)C(CCSC)N=C=O BG760
Cc1cc(cnc1)Br BG766
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)C=O BG790
c1ccc(cc1)C(=O)ON2CCCCC2C=O BG793
COC(=O)C(Cc1ccc2ccccc2c1)N BG825
COC(=O)C(c1ccc2ccccc2c1)N.Cl BG826
CC(C)(C)OC(=O)Nc1ccsc1C(=O)O BG827
B(c1ccc(c(c1F)F)OC)(O)O BG828
B(c1c(ccc(c1F)OC)F)(O)O BG829
B(c1cc(ncc1F)OC)(O)O BG831
B(c1cnc(nc1)OC)(O)O BG836
c1csc2c1[nH]cnc2=O BG839
CN(C)Cc1ccc(cc1)Br BG873
CC1CC(=O)CCN1OC(=O)c2ccccc2 BG908
COC(=O)c1ccccc1CCN.Cl BG947
Cc1coc2c1cccc2 BG968
B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)Br)(O)O BG972
c1ccc2c(c1)c3cc(ccc3o2)C=O BH082
COc1ncccn1 BH181
C(CCN)CC(CO)CO BH191
COC(=O)C1CCc2cc(ccc2N1)Br BH220
CC(C)(Cc1c[nH]c2c1cccc2)N BH243
c1cnc(cc1C(=O)O)N2CCOCC2.Cl BH262
CCOC(=O)c1ccnc(c1)N BH266
CN(C)c1ccccc1CNN.Cl.Cl BH271
CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)O BH291
c1cnc(cc1C(=O)O)N2CCCC2.Cl.Cl BH310
Cc1c(cnn1C)C(=O)O BH324
c1c(cc2c(c1C(=O)O)nc[nH]2)Br BH332
c1cc(c(c2c1cn[nH]2)C(=O)O)N BH333
c1cc(c2c(c1)[nH]cn2)C(=O)O BH334
CCOC(=O)CC(=O)CC(C)C BH339
CCOC(=O)CC(=O)C1CCCCC1 BH342
C1CC1C(=O)CC(=O)O BH344
CCOC(=O)CC(=O)C1CCOCC1 BH345
CCOC(=O)CCC1CCN(CC1)C(=O)OC(C)(C)C BH347
CC(C)NN BH358
CCOC(=O)c1ccc(cc1)NN BH359
c1cncc(c1[N+](=O)[O-])Cl BH392
CC1(CN(C1=O)c2cccnc2Cl)C BH393
c1ccc2c(c1)c(n[nH]2)Br BH398
CC(C)(C(=O)NN)O BH399
c1cc2c(cc1N)nco2 BH403
CCC(=O)c1cccc(c1)N2CCCC2.Cl BH404
c1ccc(cc1)C(=O)CCN2CCCCC2.Cl BH406
C1CC(CCNC1)N BH447
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCC(CC4)N BH448
Cc1c(ccc(n1)OC)Br BH463
CC(C)(C)OC(=O)N1CCOC(C1)CN BH464
CC(C)(C)OC(=O)N1CCC(CC1)NC BH477
c1ccc(cc1)c2c3ccccc3nc(n2)O BH483
CC(c1ccc(c(c1)OC)OC)NCc2ccccc2 BH486
CC(c1ccc(cc1)OC)NCc2ccccc2 BH487
CC(c1ccccc1)NCc2ccc(cc2)OC.Cl BH488
C=CCC/C(=C/N)/Br.Cl BH494
CC(C)(C)OC(=O)NCCCCCBr BH495
c1ccc(cc1)CN2CCN(CC2)CCCN BH560
c1ccnc(c1)c2nc(c(c(n2)N)Cc3ccc(cc3Cl)Cl)N BH600
Cc1ccc(c(n1)F)C#N BH605
c1ccc2c(c1)c(ccn2)CN.Cl BH616
Cc1cc(c2ccccc2n1)CN.Cl BH617
c1cc(ccc1N)Oc2ccc(cc2)O BH622
Cc1cc(ccc1O)N BH623
COC1CCNCC1 BH628
c1ccc(cc1)CN2CCOC[C@@H]2CO BH636
C1COC[C@@H](N1)CO BH637
CC(C)(C)OC(=O)N1CCOC[C@@H]1CO BH638
CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O BH645
C1COCCN1CCC(=O)O BH689
c1cc2n(c1)CCNC2c3cccs3 BH691
c1cc2c(cc1c3csc(n3)N)OCCO2 BH694
c1cc2c(cc1c3csc(n3)N)CCO2 BH695
C1CCC2CNCCN2CC1 BH777
CC(C)Cc1ccc(cc1)Br BH790
Cc1ccc(cc1)c2cc(no2)C(=O)O BH792
Cc1ccc(cc1)n2cc(c(c2C)C(=O)O)C BH796
COc1cc(ncn1)Cl BH797
c1c(sc(n1)Br)C=O BH839
CC(C)(C)OC(=O)C(Cc1ccccc1)N=C=O BH847
CC(C)(C)Oc1ccc(cc1)CC(C(=O)OC)N=C=O BH848
CCCC[Sn](CCCC)(CCCC)c1ccncc1C=O BH931
c1c(c(n[nH]1)N)[N+](=O)[O-] BH948
c1ccc(cc1)CNc2c(n3ccnc3s2)[N+](=O)[O-] BH983
c1cc(c(cc1CC(=O)O)N)Br BI016
CN1CCN(CC1)C(=O)CN.Cl BI036
B(c1ccc(s1)CO)(O)O BI052
c1cnc(cc1I)C(=O)O BI053
c1ccc2c(c1)c(c(s2)CBr)Cl BI171
C1C(CN1)(F)F.Cl BI187
CC1CCCC(N1CC(=O)CSC(=O)C)C(=O)O BI219
c1cc(ncc1Cl)C(=O)O BI220
Cc1c(scc1C(=O)O)C BI224
c1cnc(cc1O)N BI227
CN1CCN(CC1)C(=O)CN BI228
c1([nH]nc(n1)Cl)Cl BI253
CN1CCC(CC1)(CCO)N BI290
CCOC(=O)c1c(oc(n1)c2ccccc2)N3CCOCC3 BI320
COC(=O)C(=O)CC(=O)c1ccc(cc1)F BI321
COC(=O)C(=O)CC(=O)c1cccc(c1)Br BI322
c1cncc(c1N)Cl BI328
COC(=O)C(=O)CC(=O)c1ccco1 BI329
COC(=O)C(=O)CC(=O)c1cccnc1 BI330
COC(=O)C(=O)CC(=O)c1ccncc1 BI331
CC(c1cccc(c1)OCc2ccccc2)C(=O)O BI335
c1cnc([nH]1)CN.Cl.Cl BI353
C/N=C(/CN)\OC.C=C.Cl BI354
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)C(=O)C BI408
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)C(=O)N3CCN(CC3)C BI412
C1=CN=C2N(=C1)C=CN2Br BI424
Cc1ccc(cc1)S(=O)(=O)n2cccn2 BI430
CN1CCC(CC1)NCCN(C)C BI447
c1c(c(n[nH]1)[N+](=O)[O-])Cl BI479
B1(OC(C(O1)(C)C)(C)C)c2ccccn2 BI495
c1ccc2c(c1)ccc(n2)C(=O)Cl BI497
B1(OC(C(O1)(C)C)(C)C)c2cc(ccn2)F BI498
c1cc(nc(c1)C(=O)O)c2ccc(cc2)F BI500
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)C(F)(F)F BI507
B1(OC(C(O1)(C)C)(C)C)c2c(cccn2)F BI514
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)F BI516
CN1CCC(CC1)CCCCCN BI555
CN1CCC(CC1)NCC=C BI562
CCC(C)(C)NC1CCN(CC1)C BI567
CN1CCC(CC1)Nc2ccccc2 BI581
CCC(CO)NC1CCN(CC1)C BI582
CC(C)(C)C(=O)N1CCCC(C1)CN BI585
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)C#N BI589
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)C#N BI590
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)cn[nH]3 BI591
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)C BI592
B1(OC(C(O1)(C)C)(C)C)c2ccc(nn2)Cl BI593
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)[N+](=O)[O-] BI594
B1(OC(C(O1)(C)C)(C)C)c2nccs2 BI595
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(n2)C)F BI596
B1(OC(C(O1)(C)C)(C)C)c2ncccn2 BI597
B1(OC(C(O1)(C)C)(C)C)c2cc(ccn2)C BI598
c1cc(c(nc1)Cl)S(=O)(=O)Cl BI662
CCOC(=O)C(C)(C)c1ccccc1 BI688
Cn1ccc(cc1=O)C(=O)O BI691
Cc1cc(c(s1)C(=O)OC)N BI724
CC(C)NCCCO BI784
CC(C)(C)C(=O)N1CCCCC1CC(=O)O BI785
c1ccc(cc1)COC(=O)N2CCCCC2CC(=O)O BI786
c1cnc(cc1CCN)O BI793
CC(C(=O)OC)/N=C/c1ccccc1 BI870
COC(=O)c1ccc(cc1)S(=O)(=O)Cl BI872
c1cc(c2c(c1)OCCO2)N.Cl BI925
CC(C)(C)C(=O)NC(CC(=O)O)c1ccccc1Cl BI942
COC(=O)c1cc(n[nH]1)c2ccccc2 BI990
c1ccc(cc1)C(CN)N2CCOCC2.Cl.Cl BJ009
B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)F)(O)O BJ024
COC(=O)c1cc(n[nH]1)[N+](=O)[O-] BJ026
c1cc(ccc1CC(=N)N)Cl BJ036
c1ccc2c(c1)cccc2C(=N)N BJ037
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccccc2)C(=O)O BJ042
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccccn2)C(=O)O BJ043
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2cccnc2)C(=O)O BJ044
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccncc2)C(=O)O BJ045
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccc(cc2)OC)C(=O)O BJ046
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccc(cc2)Cl)C(=O)O BJ047
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccc(c(c2)Cl)Cl)C(=O)O BJ049
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccc(cc2)F)C(=O)O BJ050
Cc1ccc(cc1)CC2(CCCN(C2)C(=O)OC(C)(C)C)C(=O)O BJ051
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccc(cc2)C(F)(F)F)C(=O)O BJ052
CN(C)CCC(=O)O BJ066
COC(=O)c1cccc(c1CBr)[N+](=O)[O-] BJ067
Cc1nccn1CCCN BJ123
COC(=O)c1c(cccc1Cl)CBr BJ142
COC(=O)c1cccc(c1CBr)Cl BJ143
Cc1cc(ns1)N.Cl BJ147
C(c1[nH]c(nn1)N)C(=O)O BJ183
c1ccc(cc1)CCOCC2CCNCC2 BJ283
c1ccc(cc1)CCOC2CCNCC2 BJ284
c1cc(ccc1CCOC2CCNCC2)F BJ285
c1ccc(cc1)CCCOCC2CCNCC2 BJ286
c1ccc(cc1)CCCOC2CCNCC2 BJ287
c1ccc2c(c1)cccc2CCOC3CCNCC3 BJ288
c1ccc2cc(ccc2c1)CCOCC3CCCNC3 BJ290
c1ccc2cc(ccc2c1)CCOCC3CCNCC3 BJ291
c1ccc2cc(ccc2c1)CCOC3CCNCC3 BJ292
c1ccc2c(c1)c(c[nH]2)COCC3CCCNC3 BJ293
c1cc(cnc1)CCCOCC2CCNCC2 BJ294
c1cc(cnc1)CCCOCC2CCCNC2 BJ326
c1ccc2c(c1)c(c[nH]2)CCOC3CCNCC3 BJ342
c1ccc2c(c1)c(c[nH]2)CCOCC3CCNCC3 BJ357
c1ccc2c(c1)c(c[nH]2)CCOCC3CCCNC3 BJ366
c1ccc2c(c1)c(c[nH]2)COC3CCNCC3 BJ372
CSc1ccc(cc1)c2cccc(c2)C=O BJ390
c1ccc(cc1)Cn2c3ccccc3c(n2)OCC(=O)C#N BJ413
B(c1ccc(cc1)S(=O)(=O)N)(O)O BK726
c1[nH]c(nn1)N BK967
c1cc2cnccc2cc1O BK970
B1(OCCN(CCO1)c2ccccc2)c3ccccn3 BL045
c1cnccc1C(=O)Cl.Cl BL053
COc1cc(c(cc1OC)Br)CCl BL107
COC(=O)C(c1ccc(cc1)c2ccccc2)N.Cl BL113
c1cc(c(cc1Cl)Cl)C(=O)CCl BL131
c1cc2c(cc1[N+](=O)[O-])c(n[nH]2)C(=O)O BL132
c1cc2cn[nH]c2cc1Br BL835
CC(C)(C)C(=O)N1CCCC1CCN BL848
c1cc(oc1)CCN BL849
CC1Cc2ccccc2N1N BL850
c1ccc(c(c1)CN)CN.Cl.Cl BL874
c1c(ncs1)CO BL880
B(c1ccc(c(c1)[N+](=O)[O-])Cl)(O)O BL881
c1ccc2c(c1)CCCC2Cn3oc(=O)c(=O)o3 BL889
c1ccc2c(c1)CCCC2C(=O)O BL890
c1cc(c(cc1F)CN)CN.Cl.Cl BL921
CC(c1cccnc1)N BL928
c1ccc2c(c1)CC(O2)CN BL930
C1CCC(C1)CN.Cl BL934
CC(c1ccncc1)N BM029
COc1ccc(cn1)CN.Cl BM033
c1ccc2c(c1)cc(cn2)CN.Cl BM035
Cc1ccc(c(n1)N)Br BM108
c1ccc(cc1)CNCCC(=O)O BM132
COc1cccc(c1OC)C(=O)Cl BM141
COc1cc(ccc1C(=O)Cl)SC BM142
c1cc2c(cc1F)NCC2 BM168
C1C[C@H](NC(=O)C1)C(=O)O BM177
c1cc(nc(c1)Cl)[N+](=O)[O-] BM180
C1CCNC(C1)CC(=O)O.Cl BM187
COc1cc(c(cc1OC)[N+](=O)[O-])N BM213
CCOC(=O)c1c([nH]c(=O)nc1c2ccccc2)C BM214
COc1cc(ccc1C(=O)OC)OCc2ccccc2 BM215
CCOc1ccc(c(c1)OCC)C(=O)OC BM221
CCOC(=O)c1ccc(cc1OC)F BM254
CCOC(=O)c1ccccc1OCc2c(cccc2Cl)F BM255
CCCCCCOc1ccccc1C(=O)OC BM256
CCOc1ccc(cc1C(=O)OC)Br BM257
CCOc1ccc(cc1C(=O)OC)C(C)C BM258
COC(=O)c1ccccc1OC(F)F BM259
CCOC(=O)c1ccccc1OC(F)(F)F BM260
CCOC(=O)c1ccc(cc1OC)O BM261
CCOC(=O)c1ccc(cc1OC)N(C)C BM262
COc1cc(ccc1C(=O)OC)c2ccccc2 BM264
CN(C)c1ccc(c(c1)OC)C(=O)OC BM265
CCOC(=O)c1cc(ccc1OC)[N+](=O)[O-] BM266
CCOC(=O)c1cc(ccc1OC)F BM267
COc1ccc(cc1C(=O)OC)c2ccccc2 BM268
COc1ccc(cc1C(=O)OC)Br BM269
COc1ccc(cc1C(=O)OC)F BM270
CCN(CC)c1ccc(c(c1)O)C(=O)OC BM271
COc1cc(ccc1C(=O)OC)O BM272
COC(=O)c1ccc(cc1O)C(F)(F)F BM273
CCOC(=O)c1cc(ccc1O)F BM274
CCOC(=O)c1cc(ccc1O)OC(F)(F)F BM275
COC(=O)c1cc(ccc1O)OC(F)(F)F BM276
COc1cccc2c1cc(c(c2)OC)C(=O)OC BM277
CCOC(=O)c1ccc(cc1O)OC BM278
COC(=O)c1ccccc1Oc2ccc(cc2)N BM292
COC(=O)c1ccccc1OC#N BM294
Cc1ccc(n1c2ccc(cc2)Oc3ccccc3C(=O)OC)C BM295
COC(=O)c1ccccc1Oc2cnc3ccccc3n2 BM296
c1cc(ccc1C2c3c(nc[nH]3)CCN2)F BM297
COc1ccc(cc1C(=O)OC)S(=O)(=O)N2CCOCC2 BM298
Cc1ccc(n1c2ccc(c(c2)O)C(=O)OC)C BM299
COC(=O)c1ccc(cc1O)C(=O)CN BM300
c1c(c(sc1Cl)Cl)[N+](=O)[O-] BM325
c1c(c(c(nc1C(F)F)S)C#N)C2CC2 BM328
CC(C)OC(=O)c1cccc(c1)c2ccc(o2)C=O BM330
Cc1cc(cc(n1)Br)C(=O)OC BM427
c1cc(ccc1COc2ccc(cc2Cl)Cl)C(=O)O BM518
c1cc(cc(c1)C#N)CN2CCNCC2 BM527
c1cc(ccc1c2nc(cs2)c3ccc(cc3)F)C(=O)O BM584
c1ccc(c(c1)c2csc(n2)c3ccc(cc3)C(=O)O)Cl BM585
CC(C)(C)C(=O)N(C=C)C(=O)C(C)(C)C BM603
CC(=O)c1cccc(c1)c2ccc(cc2)Cl BM641
B(c1ccc(cc1)c2ccc(cc2)OC)(O)O BM642
C1CCC(CC1)C(=N)N BM643
C1CC(C1)/C(=N/O)/N BM645
C1CCC(CC1)/C(=N/O)/N BM647
CC(C)C(=N)N BM649
c1cc(cc(c1)Cl)CN2CCNCC2 BM655
Cn1cc(cn1)S(=O)(=O)Cl BM663
c1cc(cc(c1)[N+](=O)[O-])CN2CCNCC2 BM664
c1ccc(c(c1)CN2CCNCC2)[N+](=O)[O-] BM665
c1cc(ccc1CN2CCNCC2)[N+](=O)[O-] BM666
c1cc(ccc1N)N2CCCC2.Cl.Cl BM707
C1CCc2c(nc(s2)N)C1.Br BM730
c1cc2c(cc1Br)[nH]nc2N BM731
Cc1ccn(n1)C BM810
c1c(=O)[nH]c(c(n1)C(=O)O[Na])C(=O)O BM811
CCc1[nH]c2cc(ccc2n1)[N+](=O)[O-] BM853
c1c2c(nc(c1N)C(=O)N)SC3C2CCC3 BM909
COC(=O)c1ccc2c(c1)snn2 BM912
c1cc2c(cc1C(=O)O)nc([nH]2)C(F)(F)F BM952
CC(C)(C)OC(=O)N1CCC(C1)C=O BN012
c1cc(c(c(c1)O)Br)C=O BN023
Cc1ccc(cc1)C(=O)C2CCNCC2 BN027
c1ccc(cc1)C(C2CCNCC2)O BN036
CC(C)c1cc(cc(c1O)C(C)C)N BN068
c1ccc(c(c1)c2ccc(cc2)Br)C(=O)O BN075
C1CCC2C(C1)CC(N2)C(=O)O BN104
c1ccc(cc1)C(=O)CC(=O)O BN105
CC(C)CCC(=O)Cl BN134
CC(C)(C#C)C(=O)OCc1ccccc1 BN147
Cc1cc(ccc1F)C(=O)OC BN149
CC(C)(C)OC(=O)N1CCCC1CO BN181
c1ccc(cc1)Nc2nc(ns2)N BN281
CNc1ncccn1 BN343
B(c1ccc(c(c1)Cl)C=O)(O)O BN390
B(c1cc(c(c(c1)F)C=O)F)(O)O BN391
B(c1ccc(c(c1)C(F)(F)F)C=O)(O)O BN392
c1cc(sc1)C(=O)/C=N/O BN450
Cn1ccnc1CCl BN469
CN(C)c1cccc(c1)CN BN523
CC1CN(CCN1)c2cccc(c2)Cl BN535
c1ccc2cc(ccc2c1)N3CCNCC3.Cl.Cl BN536
CCOC(=O)c1ccc(cc1)N2CCNCC2 BN544
c1cc(c(cc1[N+](=O)[O-])C(F)(F)F)N2CCNCC2 BN548
CC1CCN(CC1)CCN BN639
CC1CCCN(C1)CCN BN640
CC(C)(C)C(=O)N1CCCC(C1)CCN BN641
C1CC(C1)(C(=O)O)C(F)(F)F BN642
C1CC12CC2C(=O)O BN643
C1CC2(C1)CC2C(=O)O BN644
CC(C)(C)C(=O)N(C)CCC(=O)O BN645
CC1(CC1C(=O)O)C BN657
c1cc2n(c(=O)c1)CC3CC2CNC3 BN796
COc1ccc(cc1)Nc2cccc(c2)C#N BN960
c1ccc(c(c1)Nc2ccc(cc2)Cl)[N+](=O)[O-] BN961
Cc1c(cccc1Cl)S(=O)(=O)N BP007
B(c1cc(cc(c1N)F)F)(O)O BP057
COc1cccnc1C(=O)OC BP058
CC(C)(C)OC(=O)N1CC(C1)CO BP084
Cc1ccc(c(c1)O)C#N BP126
CCOC(=O)Cc1[nH]ncn1 BP234
Cc1cc(n[nH]1)CC(=O)O BP235
C1CS(=O)(=O)CCN1 BP887
CCOC(=O)C1CN(CC1=O)C(=O)OC(C)(C)C BP992
COC(=O)c1cnc(cc1Cl)Cl BP998
B(c1ccnc(c1)OC)(O)O BQ307
B(c1cc(cnc1Cl)Cl)(O)O BQ404
COC(=O)CCc1cccnc1 BQ562
c1c(cnc(c1Br)N)Cl BQ603
c1c(cnc(c1Br)Cl)Cl BQ680
COc1c(cccn1)Cl BQ789
c1cnc(cc1I)F BQ855
B(c1cc(cnc1F)Br)(O)O BR379
c1ccc(c(c1)c2cc(cc3c2C(=N)CC(=O)C3=N)Cl)F BR663
CCOc1ccc(cn1)Br BR850
B(c1ccc(nc1)OCC)(O)O BR907
C1CCCN(CC1)CCC2CCCCN2 BS813
c1cc(c(cc1S(=O)(=O)N)N)N BT117
c1cncc(c1C#N)Cl BT458
c1ccc(c(c1)C=O)c2ccc(cc2)Cl BU163
c1cc(c(cc1S(=O)(=O)O)[N+](=O)[O-])F BU164
CCOC(=O)Cn1c(c(cn1)Br)C BU366
C1CCC2C(C1)C(=O)CCN2 BU448
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)N BU449
CCCCC(C#N)C(=O)OCC BU452
COc1c(ccc2c1oc3c2cccc3)N=C=O BU565
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)C(=O)OC BU638
B1(OC(C(O1)(C)C)(C)C)c2cncc(n2)Cl BU639
B1(OC(C(O1)(C)C)(C)C)c2ccnc(n2)Cl BU641
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)C(=O)OC BU643
B(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCC)(O)O BU692
CCN(CCO)c1ccc(c(c1)C)C=O BU821
c1cc(ccc1Cn2cncn2)N BU842
c1cc(c(cc1OC(F)(F)F)O)Br BV253
C1C(OC(=O)O1)CCl BV517
B(c1cccnc1C#N)(O)O BV654
B(c1ccncc1C#N)(O)O BV655
B(c1cnccc1C#N)(O)O BV656
B(c1ccnc(c1C#N)Cl)(O)O BV657
B1(OC(C(O1)(C)C)(C)C)c2cccnc2C#N BV658
B1(OC(C(O1)(C)C)(C)C)c2ccncc2C#N BV659
B1(OC(C(O1)(C)C)(C)C)c2cnccc2C#N BV660
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2C#N)Cl BV661
B(c1ccnc(c1Cl)F)(O)O BV662
B(c1cc(ccc1Cl)C)(O)O BV701
CC(C)(C)OC(=O)N1CCCCC1OC BV812
CC(C)(C)OC(=O)N1CCC(C1)O BV936
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)I BV937
COC(c1ccnc(n1)N)OC BV986
B(Cc1ccccc1)(O)O BW243
CC(C)(C)[Si](C)(C)Oc1ncc(cn1)Br BW249
B(c1ccc(cc1)C(=O)N(CC)CC)(O)O BW376
c1ccc(c(c1)CS(=O)(=O)Cl)Cl BW657
c1cnc(cc1NN)Br BW658
CC1(CCc2cc(ccc2O1)C(=O)O)C BW950
c1c(cnc(n1)F)Br BX453
CNC1CCCC1.Cl BX557
C1CN(CCN1CCO)CC(=O)O BX559
C1CN(CCN1CCC(=O)O)CCO BX560
B(c1ccn[nH]1)(O)O BX887
c1ccc(cc1)COC(=O)N2CCC[C@@H]2C#N BY010
c1ccc(cc1)COC(=O)N2CCC[C@H]2C#N BY011
COc1ccc(c(c1)NCCO)OC BY048
c1cc(cnc1)c2nnc(o2)S BY130
CCCS(=O)(=O)c1ccc2c(c1)nc([nH]2)N BY777
B1(OC(C(O1)(C)C)(C)C)c2c(cccn2)C#N BZ064
B1(OC(C(O1)(C)C)(C)C)c2cc(ccn2)C#N BZ065
B1(OC(C(O1)(C)C)(C)C)c2ccc(nn2)N BZ066
B1(OC(C(O1)(C)C)(C)C)c2cnc(cn2)N BZ067
B1(OC(C(O1)(C)C)(C)C)c2cncc(n2)N BZ068
B1(OC(C(O1)(C)C)(C)C)c2cc(ccn2)N BZ070
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)N BZ071
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)N3CCN(CC3)C(=O)OC(C)(C)C BZ072
B1(OC(C(O1)(C)C)(C)C)c2cc(nc(n2)N)Cl BZ078
B1(OC(C(O1)(C)C)(C)C)c2cc(ncn2)Cl BZ079
B1(OC(C(O1)(C)C)(C)C)c2cc(nc(n2)C)Cl BZ080
B1(OC(C(O1)(C)C)(C)C)c2cc(nc(n2)SC)Cl BZ081
B1(OC(C(O1)(C)C)(C)C)c2cc(nc(n2)N)C BZ082
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)C=O BZ083
B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)C=O BZ084
B1(OC(C(O1)(C)C)(C)C)c2cnccn2 BZ085
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)C(F)(F)F BZ086
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)CO BZ087
B1(OC(C(O1)(C)C)(C)C)c2cccc(n2)O BZ088
B1(OC(C(O1)(C)C)(C)C)c2ccc(nn2)OC BZ089
B1(OC(C(O1)(C)C)(C)C)c2c(cccn2)O BZ090
c1cc(ccc1CC(=O)NN)[N+](=O)[O-] BZ210
CCOC(=O)c1ccc[nH]1 BZ260
c1cc(sc1)CC(=N)N.Cl BZ395
c1ccc(cc1)C(=O)CCN BZ401
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)C BZ487
CC(C)CN1CCC(CC1)N.Cl.Cl BZ965
C1CC2CC1CC2C=O C0269
COc1ccc(cc1)Nc2ccccc2 C0595
c1cc(nc(c1C(=O)O)Cl)Cl C0712
c1c(ncc(n1)O)C(=O)O C0716
CCc1ccc(cc1)NC C0730
c1cc(ccc1C=O)n2ccnc2 C0741
c1cc(c(cc1Br)C#N)O C0800
c1c(cc(cc1I)I)C(=O)O C0879
CCOC(=O)C1CN(CCC1=O)Cc2ccccc2 C0977
c1cc(c(c(c1)[N+](=O)[O-])[N+](=O)[O-])N C1308
C1C=CCC1C(=O)O C1484
c1(nnc(s1)N)N C1485
Cn1cncc1[N+](=O)[O-] C2057
c1cc([nH]c1C=O)C=O C2726
C1CNC(CN1)C(=O)O.Cl.Cl C2900
CN1CCCCC1CCCl.Cl C3314
C=Cc1cccnc1 C3562
c1c2c(nc[nH]2)nc(n1)Cl C3938
c1c(c(nc(n1)Cl)Cl)[N+](=O)[O-] C3940
C1CCN(CC1)CCCN C5249
COc1ccc(c(c1)C(=O)Cl)OC C5918
Cc1ccc(s1)C(=O)Cl C6242
c1cc(c(c(c1)Cl)[N+](=O)[O-])N C6397
c1ccc(c(c1)N2CCNCC2)Cl C7096
C1CCC(CC1)CCN C7120
c1ccc(cc1)CC2CCCCN2 C7263
B(c1ccc(cc1)Cl)(O)O C8202
B(c1ccc(cc1)OC)(O)O C8222
C1C[C@H](NC1)C(=O)N C8371
COC(=O)CCc1cccc(c1)O C8772
Cc1cc(ccc1Cl)C#N C8871
CC1(CNCCN1)C C8903
c1cc(ccc1CN)O C8924
c1cc(c(cc1Cl)I)N C9062
c1cc(sc1)CCC(=O)O C9097
c1ccc(cc1)Cc2[nH]c3ccccc3n2 CA057
C1CCC(C1)C(CC(=O)O)N CA225
CC(C)(C)OC(=O)NCCc1cccc(c1)N CB407
CC(C)(C)OC(=O)N1CCC(CC1)C(CC(=O)O)N CC306
CC(C)(C)OC(=O)NC(CC(=O)O)C1CCNCC1 CC312
c1cc(ccc1C(=O)c2ccc(s2)C3OCCO3)Cl CC410
B(c1cccnc1OCC)(O)O CD067
c1ccc(c(c1)CCS(=O)(=O)Cl)F CD408
c1cc(c(cc1NC(=O)N2CCCCC2)Cl)S(=O)(=O)Cl CD409
CC1CCN(CC1)C(=O)Nc2ccc(c(c2)Cl)S(=O)(=O)Cl CD410
CC(=O)Nc1ncc(s1)Br CD436
CC(Cn1cncn1)N CD546
CCOc1c(cccn1)Br CE377
B1(OC(C(O1)(C)C)(C)C)c2cccnc2OCC CE436
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)OCC CE438
B(c1cccnc1SC)(O)O CE445
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)Cc3ccccc3 CE449
COC(=O)c1cc[nH]c1 CE466
CCOC(=O)c1cc[nH]c1C(=O)OCC CE467
CCOC(=O)Cc1c(cc[nH]1)C(=O)OCC CE468
CC(=O)n1ccc(c1)C(=O)OC CE469
CCOC(=O)Cc1c(ccn1C(=O)C)C(=O)OCC CE470
c1ccc(cc1)COc2c(cccn2)Br CE504
c1ccc(cc1)COc2ccc(cn2)Br CE505
c1cc(cnc1)c2ccc(cn2)Br CE507
c1cc(c(nc1)Cl)c2ccc(cn2)Br CE509
c1cc(c(nc1)Cl)c2cc(cnc2)Br CE510
c1cnc(cc1c2cc(cnc2)Br)Cl CE511
c1cc(nc(c1)Br)c2cccnc2Cl CE512
c1cc(c(nc1)Cl)c2ccc(nc2)Br CE513
c1cc(ncc1c2ccc(nc2)Br)Cl CE514
c1c(c(cnc1Cl)Br)N CE515
c1cncc(c1C#N)Br CE516
c1cncc(c1Br)C#N CE517
Cc1cc(nc(c1I)C)Br CE518
c1cc(oc1)c2ccc(cn2)Br CE519
Cc1cc(c(nc1)Br)I CE520
Cc1cc(cnc1Br)I CE521
Cc1cc(ncc1I)Br CE522
Cc1cc(cnc1NC(=O)C(C)(C)C)Br CE523
Cc1cc(cnc1N(C)C(=O)C(C)(C)C)Br CE524
CSc1ccc(cn1)Br CE525
c1ccc(cc1)c2ccc(cn2)Br CE526
c1cc(sc1)c2ccc(cn2)Br CE527
CC(C)(C)OC(=O)Nc1ccc(cn1)Br CE528
Cc1cc(cnc1N(C)C(=O)OC(C)(C)C)I CE529
CC(C)(C)OC(=O)Nc1cccnc1 CE530
c1cc(ncc1c2ccncc2)Cl CE531
c1cc(c(nc1)C#N)Cl CE532
c1cc(c(nc1)F)c2cccnc2Cl CE534
c1cc(c(nc1)F)c2ccc(cn2)Cl CE535
c1cc(ncc1Cl)c2ccnc(c2)F CE536
c1cc(c(nc1)F)Cl CE537
Cc1cc(cnc1Cl)I CE538
Cc1c(ccc(n1)Cl)I CE539
c1c(cnc(c1I)N)Cl CE540
c1c(cnc(c1I)NN)Cl CE541
COc1ccc(cn1)Cl CE542
c1cc(cnc1)c2ccc(cn2)c3ccc(nc3)Cl CE543
c1cc(nc(c1I)C#N)I CE544
c1cnc(c(c1I)C#N)I CE545
c1c(c(c(cn1)I)C#N)I CE546
c1cc(c(nc1)C#N)I CE547
c1cncc(c1I)C#N CE548
c1cncc(c1C#N)I CE549
C[Si](C)(C)c1cnccc1C#N CE550
c1cc(ncc1c2cc(ccn2)Br)Br CE551
c1cc(ncc1c2cc(cnc2)Br)Br CE552
c1cc(ncc1c2ccnc(c2)Br)Br CE553
c1cc(nc(c1)Br)c2ccc(nc2)Br CE554
c1cc(ncc1c2ccc(nc2)Br)Br CE555
c1cc(nc(c1Br)Cl)Br CE556
c1cnc(c(c1Br)Br)F CE557
Cc1c(ccc(n1)Br)Br CE558
c1cc(c(nc1)Cl)c2cccnc2Cl CE559
c1cc(c(nc1)Cl)c2ccnc(c2)Cl CE560
c1cnc(cc1c2ccnc(c2)Cl)Cl CE561
c1cc(c(nc1)Cl)c2ccc(nc2)Cl CE562
c1cc(c(nc1)Cl)c2ccc(cn2)Cl CE563
c1cc(ncc1Cl)c2ccnc(c2)Cl CE564
c1cc(ncc1c2ccnc(c2)Cl)Cl CE565
c1cc(ncc1c2ccc(nc2)Cl)Cl CE566
c1c(cnc(c1I)Cl)Cl CE567
c1cc(ncc1c2ccnc(c2)c3ccc(nc3)Cl)Cl CE568
CCOc1ccc(cn1)c2ccc(nc2)c3ccc(nc3)OCC CE569
CCOc1ccc(cn1)c2cccc(n2)c3ccc(nc3)OCC CE570
CCOc1ccc(cn1)c2cc(cnc2)c3ccc(nc3)OCC CE571
COc1ccc(cc1OC)c2ccc(cn2)[N+](=O)[O-] CE572
COc1ccc(cn1)c2ccc(nc2)c3ccc(nc3)OC CE573
COc1ccc(cn1)c2cccc(n2)c3ccc(nc3)OC CE574
COc1ccc(cn1)c2cc(cnc2)c3ccc(nc3)OC CE575
Cc1cccnc1c2ccc(cc2)F CE585
Cc1ccnc(c1)c2ccc(cc2)F CE586
Cc1ccc(nc1)c2ccc(cc2)F CE587
Cc1cccc(n1)c2ccc(cc2)F CE588
c1cc(ccc1c2ccc(cn2)C=O)F CE589
Cc1cc(c(nc1)N)I CE590
Cc1cc(c(nc1)O)I CE591
Cc1cc(cnc1NC(=O)C(C)(C)C)I CE592
Cc1cc(cnc1N(C)C(=O)C(C)(C)C)I CE593
Cc1ccc(nc1)c2cccnc2 CE594
Cc1ccc(nc1)c2ccncc2 CE595
Cc1cc(cnc1NC)I CE596
Cc1c(ccc(n1)O)I CE597
c1cc(cnc1)c2ccc(cn2)c3ccc(nc3)c4cccnc4 CE599
c1cc(cnc1)c2ccsc2 CE601
c1c(c(c(c(n1)Br)Br)N)Br CE602
c1ccc(cc1)COc2ncc(cn2)Br CE603
CC(C)(C)Oc1ncc(cn1)Br CE605
c1cc(cnc1)c2ccnc(n2)c3cccnc3 CE606
c1cc(cnc1)c2cc(ncn2)c3cccnc3 CE607
c1cc(c(c(c1)Br)O)O CE608
c1cc(c(cc1Br)Cl)C=O CE609
COc1cccc(c1OC)Br CE610
c1cc(c(cc1Br)C(F)(F)F)C=O CE611
c1ccc(cc1)CN(Cc2ccccc2)c3ccc(cc3)Br CE612
c1cc(oc1)CCl CE613
CC(C)(C)OC(=O)n1cc(c2c1cccc2)I CE614
c1ccc(cc1)S(=O)(=O)n2cc(c3c2cccc3)I CE615
B(c1cc(cnc1Cl)Br)(O)O CE656
B(c1c(cc(nc1C)Br)C)(O)O CE657
B(c1ccc(nc1C)Br)(O)O CE658
B(c1cnc(cc1C)Br)(O)O CE659
B(c1cc(c(nc1)Br)C)(O)O CE660
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N(C)C(=O)OC(C)(C)C)C CE662
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N(C)C(=O)OC(C)(C)C CE663
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)Cl)C CE664
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)N(C)C3CCCCC3 CE665
B(c1ccc(nc1)c2ccc(cc2)F)(O)O CE666
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N3CCOCC3)C CE667
B1(OCC(CO1)(C)C)c2cnc(nc2OCc3ccccc3)OCc4ccccc4 CE668
B1(OC(C(O1)(C)C)(C)C)c2cnc(nc2)O CE669
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N(C)C(=O)C(C)(C)C)C CE671
B(c1ccccc1NC(=O)C(C)(C)C)(O)O CE674
B(c1ccccc1C2(OCCO2)C)(O)O CE675
B1(O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@@]2(O1)C)CCCCBr CE678
B1(O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@@]2(O1)C)CCCC CE679
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)S(=O)(=O)c3ccccc3 CE680
B1(OCC(CO1)(C)C)c2ccnn2C CE681
B1(OCC(CO1)(C)C)c2cnn(c2)C3CCCCO3 CE683
B1(OC(C(O1)(C)C)(C)C)c2ccnn2C CE684
B1(OC(C(O1)(C)C)(C)C)c2ccnn2C3CCCCO3 CE685
B1(OC(C(O1)(C)C)(C)C)c2ccn[nH]2 CE686
B1(OC(C(O1)(C)C)(C)C)c2ccnn2COCC[Si](C)(C)C CE687
CCOP(=O)(c1ccn(c1)C(=O)C)OCC CE982
Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C(=O)OC CE987
COC(=O)c1cc([nH]c1)[N+](=O)[O-] CE988
COC(=O)c1ccc([nH]1)[N+](=O)[O-] CE989
COC(=O)c1cc(c[nH]1)[N+](=O)[O-] CE990
Cc1ccc(cc1)S(=O)(=O)n2cc(cc2[N+](=O)[O-])C(=O)OC CF392
Cc1ccc(cc1)S(=O)(=O)n2cc(cc2C(=O)OC)[N+](=O)[O-] CF393
c1cc(nc2c1cc(cc2)[N+](=O)[O-])C(F)(F)F CF394
COC(=O)c1cc2c([nH]1)cccn2 CF395
COC(=O)c1cc2c([nH]1)cc(cn2)C#N CF396
Cc1ccc(cc1)S(=O)(=O)n2cc(c3c2nc(cc3)C(F)(F)F)C(=O)OC CF397
B1(OCCN(CCO1)C)c2ccc(cn2)Cl CF413
CC(C)(C)OC(=O)n1ccc2c1ccc(c2)Br CF443
Cc1ccccc1c2ccc(cc2)C=O D0625
c1cn(cn1)CCO D0676
c1cnc([nH]1)N.Cl D0678
c1cc(c(cc1F)F)N2CCNCC2 D1053
CC(C)(C)c1ccc(cc1)CCN D1064
COC(=O)CCCC(=O)c1ccccc1 D1363
c1ccc(cc1)Oc2ccc(cc2)C=O D2350
CN1CCCC(C1)C(=O)O.Cl D2602
c1cc(c(nc1)N2CCNCC2)C#N D2618
c1ccc(cc1)c2csnn2 D3009
c1cc(ccc1CCl)C#N D3017
B(c1ccccc1CBr)(O)O D8411
B(c1c(cccc1Cl)Cl)(O)O D8515
CC(C)(C)OC(=O)NCCBr D8598
B(/C=C/CCCC)(O)O D8656
B(c1ccccc1O)(O)O D8660
B(c1cccc(c1)O)(O)O D8661
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)O D8662
B(c1ccc(cc1)SC)(O)O D8699
B(c1ccccc1[N+](=O)[O-])(O)O D8709
c1nnc(s1)S D8897
c1cc2ccc(nc2nc1)C(=O)O D8975
B(CCC)(O)O D9430
B(c1ccn(c1)[Si](C(C)C)(C(C)C)C(C)C)(O)O D9567
B(c1c(cc(cc1C)C)C)(O)O D9572
B(c1cccc(c1)CO)(O)O D9772
B(c1ccc(cc1)CO)(O)O D9773
c1c(c(nc(c1F)Cl)Cl)C(=O)O D9851
CNCc1ccc(cc1)N D9890
c1cc(c(c(c1)Cl)O)[N+](=O)[O-] D9940
B1(OC(C(O1)(C)C)(C)C)CC=C E1298
B(c1ccccc1c2ccccc2)(O)O E1378
B(c1ccccc1C(=O)O)(O)O E1494
B(c1ccc(c(c1)C)C)(O)O E1882
CCOC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C E5323
c1cc(ncc1O)F E5421
c1cc(ccc1CSc2nc([nH]n2)N)Cl E5811
c1cc(ncc1O)Cl E5894
c1ccc2c(c1)c(nc(n2)Cl)Cl E5898
c1cnncc1C(=O)O E5917
CCC(=O)c1ccncc1 E5920
c1nc(c(c(n1)O)N)N E6274
c1c(ncc(n1)C(=O)O)C(=O)O E6927
B(c1ccc(cc1)C(=O)OC)(O)O E7109
c1c(nc[nH]1)Br E7110
Cn1cc(nc1)Br E7111
Cn1cnc(c1C=O)Br E7112
Cc1nc(c(n1C)Br)Br E7113
c1[nH]c(c(n1)Br)Br E7114
Cn1c(cnc1Br)Br E7115
Cn1cnc(c1Br)Br E7116
Cc1[nH]c(c(n1)Br)Br E7117
Cc1c([nH]c(n1)Br)Br E7118
c1[nH]c(c(n1)I)I E7119
Cn1cnc(c1I)I E7120
Cc1c([nH]c(n1)I)I E7121
c1c([nH]cn1)I E7122
Cn1cc(nc1)I E7123
Cn1cnc(c1C=O)I E7125
Cn1cncc1C=O E7126
Cn1c(c(nc1Br)Br)Br E7127
c1(c(nc([nH]1)I)I)I E7128
COC(=O)c1ccc2c(c1)cc[nH]2 E7129
COC(=O)c1ccc2cc[nH]c2c1 E7130
c1cc(c2cc[nH]c2c1)CO E7132
c1cc2c(cc[nH]2)cc1CO E7133
c1cc(cc2c1cc[nH]2)CO E7134
c1cc2cc[nH]c2c(c1)CO E7135
C1COCCC1CCN E7136
C1COCCC1CN E7138
C1COCCC1N E7139
C1COCCC1CC(=O)O E7140
C1COCCC1C(=O)O E7141
COc1ccc(c(c1)F)N.Cl E7155
COc1cc(c(c(c1C=O)O)C=O)OC E7164
c1cc(ccc1CCC(=O)O)S(=O)(=O)Cl E7166
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)COC(=O)C E7171
B(c1ccc(c(c1)N)C)(O)O.Cl E7173
B(c1cccc(c1)CN)(O)O.Cl E7174
B(c1ccc(cc1)CN)(O)O.Cl E7175
B1(OC(C(O1)(C)C)(C)C)c2ccccc2N.Cl E7177
B(c1ccc(cc1)N)(O)O.Cl E7178
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)N.Cl E7179
B(c1ccccc1OCc2ccccc2)(O)O E7180
B(c1ccc(cc1)c2ccccc2)(O)O E7181
B(c1ccc(cc1)NC(=O)OC(C)(C)C)(O)O E7182
B(c1ccccc1C#N)(O)O E7187
B(c1ccccc1Oc2ccccc2)(O)O E7188
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)OC(C)(C)C E7197
B1(OC(C(O1)(C)C)(C)C)c2ccccc2CBr E7198
B(c1cccc(c1)CBr)(O)O E7199
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)CBr E7200
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)CBr E7201
CC(C)(C)OC(=O)N1CCCC(C1)CN E7203
CC(C)(C)OC(=O)N1CCN(CC1)CCN E7206
B(c1cc(cc(c1)[N+](=O)[O-])C(=O)O)(O)O E7208
B(c1ccc(cc1[N+](=O)[O-])C(=O)O)(O)O E7209
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)O E7210
B(c1ccc(cc1)NC(=O)OCc2ccccc2)(O)O E7211
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)OCc3ccccc3 E7212
B(c1ccc(cc1)CC#N)(O)O E7213
B(c1ccc(cc1)C(=O)OCC)(O)O E7214
B(c1cccc(c1F)OC)(O)O E7215
B(c1ccc(c(c1)F)OC)(O)O E7216
B(c1ccc(c(c1)F)OCc2ccccc2)(O)O E7217
B(c1ccc(c2c1cccc2)C=O)(O)O E7218
CC(C)(C)OC(=O)N1CCC[C@H]1CN E7249
C1CN[C@@H](CC1=O)C(=O)O E7254
c1cc(ccc1c2csc(n2)N)F.Br E7276
Cn1c(=O)ccs1 E7317
COCCCBr E7370
CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)O E7510
B(c1ccc(cc1[N+](=O)[O-])C(=O)OC)(O)O E7576
B(c1cccc(c1)C(=O)OC)(O)O E7577
B(c1cc(ccc1C)[N+](=O)[O-])(O)O E7578
B(c1ccccc1C)(O)O E7579
B(c1cccc(c1)C)(O)O E7580
B(c1ccccc1SC)(O)O E7581
B1(OC(C(O1)(C)C)(C)C)c2ccccc2[N+](=O)[O-] E7582
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)[N+](=O)[O-] E7583
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)CN3C(=O)c4ccccc4C3=O E7584
CNC(=O)c1ccc(cc1)N E7620
CN1CCN(CC1)C(=O)c2ccc(cc2)N E7638
c1ccc2c(c1)c3c(c(=O)o2)C(CO3)O E7643
c1cc2cc(c(=O)n3c2c(c1)CC3)C=O E7644
c1ccc(cc1)C(=O)Nc2cc(c3ccccn3c2=O)C#N E7653
c1cc(oc1)c2ccnc3n2nc(n3)N E7662
CC(C)N1CCNCC1 E7668
c1ccnc(c1)c2ccnc(n2)N E7683
B(c1ccccc1NC(=O)C)(O)O E7732
B1(OC(C(O1)(C)C)(C)C)c2ccccc2NC(=O)C E7733
B(c1cccc(c1)NC(=O)C)(O)O E7754
B(c1ccc(cc1)NC(=O)C)(O)O E7755
B(c1ccccc1C(=O)N)(O)O E7767
B(c1ccc(cc1N)C(=O)O)(O)O E7768
B(c1cc(cc(c1)N)C(=O)O)(O)O E7769
B(c1ccc(cc1N)C(=O)OC)(O)O.Cl E7770
B(c1cc(cc(c1)N)C(=O)OC)(O)O E7771
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)CN.Cl E7773
B(c1ccccc1N)(O)O.Cl E7776
B1(OC(C(O1)(C)C)(C)C)c2ccccc2N E7777
B(c1ccc(cc1)C(=O)OCc2ccccc2)(O)O E7779
B(c1ccc(cc1)OCc2ccccc2)(O)O E7781
B(c1cc(ccc1OCC)C)(O)O E7787
B(c1ccc(cc1[N+](=O)[O-])C(=O)OCC)(O)O E7788
B(c1ccccc1C(=O)OCC)(O)O E7789
B(c1cccc(c1)C(=O)OCC)(O)O E7790
B(c1c(cccc1F)OC)(O)O E7792
B(c1ccc(c(c1)C)F)(O)O E7793
c1c(cnc(c1Cl)NCC2CC(=NO2)C(=O)O)C(F)(F)F E7805
c1cnc(nc1)N2CCC(CC2)C(=O)O E7806
c1cc(nnc1N2CCC(CC2)C(=O)O)Cl E7807
c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)CC(=O)O E7820
c1c(cnc(c1Cl)NCCCC(=O)O)C(F)(F)F E7821
c1ccc2c(c1)c(cn2Cc3ccc(cc3)F)CC(=O)O E7828
c1ccc2c(c1)c(cn2c3ccc(nn3)Cl)CC(=O)O E7829
c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O E7830
B(c1cc(cc(c1)[N+](=O)[O-])C(=O)OC)(O)O E7857
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)OC E7858
B(c1c[nH]c(=O)[nH]c1=O)(O)O E7870
B(c1c(ccs1)Br)(O)O E7871
CC(C)(C)OC(=O)N1CCC(CC1)CN E7876
Cc1c(cc2cccnc2n1)C(=O)O E7941
c1ccc2c(c1)CCN2CCC(=O)O E7972
CCOC(=O)CC(=O)c1ccncc1 E7973
CCOC(=O)CC(=O)c1ccccn1 E7974
COC(=O)CC(=O)c1ccccc1C(F)(F)F E7975
COC(=O)CC(=O)c1cccc(c1)C(F)(F)F E7976
COC(=O)CC(=O)c1ccc(cc1)C(F)(F)F E7977
CCOC(=O)CC(=O)c1cc(c(c(c1)OC)OC)OC E7978
COC(=O)CC(=O)c1cc(cnc1)Br E7979
COC(=O)CC(=O)c1ccccc1Cl E7980
c1cc(nc(c1C(=O)O)O)C(F)(F)F E7981
c1cc(nc(c1C(=O)O)Cl)C(F)(F)F E7982
CS(=O)(=O)c1ccccc1C(=O)O E7983
CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)O E7984
CS(=O)(=O)c1ccc(cc1)CC(=O)O E7985
CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)O E7986
c1cc(c(cc1C(=O)O)[N+](=O)[O-])/C(=C/O)/C=O E7987
c1cc(c(cc1C(=O)O)/C(=C/O)/C=O)[N+](=O)[O-].O E7988
c1cc(c(c(c1)C(=O)O)[N+](=O)[O-])/C(=C/O)/C=O E7992
c1cc2c(cc1CC(=O)O)CCO2 E7993
c1cc(nc(c1)C(=O)O)/C(=C/O)/C=O E7994
c1cc(ncc1C(=O)O)/C(=C/O)/C=O E7995
Cc1nc(c(o1)C(F)(F)F)C(=O)O E7996
c1cc(cc(c1)C(F)(F)F)CCC(=O)O E7997
c1c(cncn1)C(=O)O E7998
c1cc2cc(c(nc2nc1)C(F)(F)F)C(=O)O E7999
c1cc(nc2c1cncc2)C(=O)O E8000
Cc1c(cc2cnccc2n1)C(=O)O E8003
c1ccc2c(c1)n3cc(nc3s2)C(=O)O E8004
COc1cc(nc(n1)Oc2ccccc2C(=O)O)OC E8005
COc1cc(nc(n1)Oc2cccc(c2)C(=O)O)OC E8006
c1cc2c(cc1/C=C/C(=O)O)OC(O2)(F)F E8007
CS(=O)(=O)c1ccc(cc1)/C=C/C(=O)O E8008
c1ccc(cc1)c2nc(c(o2)C(F)(F)F)C(=O)O E8009
Cc1cc(nc(n1)Nc2ccccc2C(=O)O)C E8010
Cc1cc(nc(n1)Nc2cccc(c2)C(=O)O)C E8011
Cc1cc(nc(n1)Nc2ccc(cc2)C(=O)O)C E8012
Cc1cc(nc(n1)N(C)c2cccc(c2)C(=O)O)C E8013
Cc1cc(nc(n1)N(C)c2ccc(cc2)C(=O)O)C E8014
COc1ccc(cc1)c2cc(sc2)C(=O)O E8015
CS(=O)(=O)c1ccc(cc1)CCC(=O)O E8016
c1cncc(c1C(F)(F)F)SCC(=O)O E8017
c1c(cc(nc1Cl)Cl)SCC(=O)O E8018
c1cc(ncc1C(=O)O)CCN2CCCC2 E8021
c1cc(ccc1c2cc(sc2)C(=O)O)Cl E8022
c1cc2cc(c(=O)n3c2c(c1)CC3)/C=C/C(=O)O E8023
c1cc2cc(c(=O)n3c2c(c1)CCC3)/C=C/C(=O)O E8024
c1cc2cc(c(=O)n3c2c(c1)CC3)C(=O)O E8025
c1cc2cc(c(=O)n3c2c(c1)CCC3)C(=O)O E8026
COc1cc(nc(n1)CCC(=O)O)OC E8027
COc1cc(nc(n1)OC)C(=O)O E8028
COc1cc(nc(n1)c2ccc(cc2)C(=O)O)OC E8029
CN(C)c1cc(nc(n1)N(C)C)C(=O)O E8037
c1cc(=O)oc2c1cc(cc2)S(=O)(=O)Cl E8038
Cc1cc2cc(ccc2oc1=O)[N+](=O)[O-] E8039
COC(=O)c1ccc2c(c1)[nH]cc2C=O E8041
Cc1c([nH]c2c1cccc2[N+](=O)[O-])C E8042
COC(=O)c1cc2cc(ccc2[nH]1)S(=O)(=O)C E8043
CS(=O)(=O)c1ccc2ccn(c2c1)O E8044
CCOC(=O)c1cc2cc(ccc2[nH]1)[N+](=O)[O-] E8045
Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-] E8046
Cc1c(c2cc(ccc2[nH]1)[N+](=O)[O-])C=O E8049
CCOC(=O)c1cc2cccc(c2[nH]1)[N+](=O)[O-] E8050
c1cc2c(cc1Cl)CCN2 E8052
COc1ccc(c(c1)/C(=C/O)/C=O)[N+](=O)[O-].O E8054
c1ccc(c(c1)/C(=C/O)/C=O)[N+](=O)[O-] E8055
c1cc(ccc1/C(=C/O)/C=O)Cl E8056
CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])/C(=C/O)/C=O E8058
COc1ccc(cc1)/C(=C/O)/C=O E8059
Cc1ccc(cc1)/C(=C/O)/C=O E8060
c1cc(c(cc1Cl)[N+](=O)[O-])/C(=C/O)/C=O E8061
c1cnc(cn1)/C(=C/O)/C=O E8062
c1cnccc1/C(=C/O)/C=O E8063
c1ccnc(c1)/C(=C/O)/C=O E8064
c1ccc2c(c1)ccc(n2)/C(=C/O)/C=O E8065
c1cncnc1/C(=C/O)/C=O E8066
c1ccc2c(c1)nc(o2)/C(=C/O)/C=O E8067
c1ccc2c(c1)ncc(n2)/C(=C/O)/C=O E8068
c1ccc2c(c1)c(ccn2)/C(=C/O)/C=O E8069
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)Cl E8072
CS(=O)(=O)c1ccc(cc1)C#N E8073
CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])F E8074
CS(=O)(=O)c1ccccc1S(=O)(=O)Cl E8075
COC(c1ccc2cnccc2n1)OC E8076
c1cncc2c1nc(c(c2)C(=O)O)C(F)(F)F E8077
Cc1cc(nc(n1)Cl)C E8078
c1c(cnc(n1)Cl)Br E8079
c1cc(ncc1C(=O)Cl)C(F)(F)F E8080
COC(=O)c1ccc(nc1)C(F)(F)F E8081
c1cc(ncc1C(=O)N)C(F)(F)F E8082
c1cc(ncc1C(=S)N)C(F)(F)F E8083
c1cc(ncc1C#N)C(F)(F)F E8084
c1cc(ncc1CCl)C(F)(F)F E8085
c1cc(ncc1C(=N)N)C(F)(F)F.Cl E8086
COC(=O)CC(=O)c1ccc(nc1)C(F)(F)F E8087
CS(=O)(=O)CC(=O)c1ccc(nc1)C(F)(F)F E8088
c1cc(nc(c1C(=O)N)Cl)C(F)(F)F E8089
c1cc(nc(c1C#N)Cl)C(F)(F)F E8090
COC(=O)c1cnc(cc1C(F)(F)F)Cl E8091
c1cc(ccc1F)SCCN E8098
COc1ccc(cc1)c2ccc(cc2)CO E8128
c1cc(ccc1CO)c2ccc(cc2)Cl E8129
c1cc(ccc1CO)c2cc(cc(c2)Cl)Cl E8130
c1cc(ccc1CO)c2ccc(c(c2)Cl)Cl E8131
c1cc(ccc1CO)c2ccc(cc2)F E8132
Cc1ccc(cc1)c2ccc(cc2)CO E8133
c1cc(ccc1CO)c2ccc(cc2)C(F)(F)F E8134
c1cc(ccc1CO)c2cc(cc(c2)C(F)(F)F)C(F)(F)F E8135
c1cc(ccc1C=O)Oc2ccc(cc2)Cl E8136
c1cc(ccc1C=O)Oc2ccc(cc2)F E8137
c1ccc(cc1)c2ccccc2C=O E8138
c1ccc(c(c1)C=O)c2ccc(cc2)F E8139
c1ccc(c(c1)C=O)c2ccc(cc2)C(F)(F)F E8140
c1ccc(cc1)c2cccc(c2)C=O E8141
c1cc(cc(c1)c2ccc(cc2)F)C=O E8142
c1cc(cc(c1)c2ccc(cc2)C(F)(F)F)C=O E8143
c1cc(cnc1)c2ccc(cc2)C=O E8144
COc1ccc(cc1)c2ccc(cc2)C=O E8145
c1cc(ccc1C=O)c2ccc(cc2)Cl E8146
c1cc(ccc1C=O)c2cc(cc(c2)Cl)Cl E8147
c1cc(ccc1C=O)c2ccc(cc2)C(F)(F)F E8149
COc1ccccc1c2ccc(cc2)C=O E8150
c1ccc(c(c1)c2ccc(cc2)C=O)Cl E8151
c1ccc(c(c1)c2ccc(cc2)C=O)C(F)(F)F E8152
CS(=O)(=O)CCN E8153
c1ccc(cc1)S(=O)(=O)C2CCNC2 E8155
CS(=O)(=O)C1CCNC1 E8156
CNCCS(=O)(=O)C E8157
CNCCS(=O)(=O)c1ccccc1 E8158
CNCCCc1ccccc1 E8159
CNCCCCc1ccccc1 E8160
CNCc1ccccn1.Cl E8161
CNCc1cccnc1.Cl E8162
CNCc1ccncc1 E8163
CNCCc1cccnc1 E8164
c1ccc(cc1)Oc2cccc(c2)CN E8165
c1cc(cc(c1)Oc2ccc(cc2)Cl)CN.Cl E8166
c1ccc(cc1)Oc2ccc(cc2)CN E8167
c1cc(ccc1CN)Oc2ccc(cc2)Cl.Cl E8168
c1cc(ccc1CN)Oc2ccc(cc2)F.Cl E8169
Cc1ccc(cc1)Oc2ccc(cc2)CN.Cl E8170
c1cc(ccc1CN)Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F E8171
CNCc1cccc(c1)Oc2ccc(cc2)Cl E8174
CNCc1ccc(cc1)Oc2ccc(cc2)Cl E8176
CNCc1ccc(cc1)Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F E8179
c1ccc(cc1)C(c2cc(cc(c2)Cl)Cl)N3CCNCC3 E8180
COc1ccc(cc1)C(c2ccccc2)N3CCNCC3 E8181
c1ccc(cc1)C(c2ccc(c(c2)Cl)Cl)N3CCNCC3 E8182
c1ccc(cc1)C(c2ccc(cc2)F)N3CCNCC3 E8183
Cc1ccc(cc1)C(c2ccccc2)N3CCNCC3 E8184
c1ccc(cc1)C(c2ccc(cc2)C(F)(F)F)N3CCNCC3 E8185
COC(=O)c1cc2ccccc2[nH]1 E8190
c1cc(ccc1CCN)c2ccc(cc2)F.Cl E8191
c1ccc(c(c1)CN)c2ccc(cc2)F.Cl E8193
c1cc(cc(c1)c2ccc(cc2)Cl)CN.Cl E8194
c1cc(cc(c1)c2ccc(cc2)F)CN.Cl E8195
c1cc(ccc1CN)c2ccc(cc2)Cl.Cl E8196
c1cc(ccc1CN)c2cc(cc(c2)Cl)Cl.Cl E8197
c1cc(ccc1CN)c2ccc(c(c2)Cl)Cl.Cl E8198
c1cc(ccc1CN)c2ccc(cc2)F.Cl E8199
c1cc(ccc1CN)c2ccc(cc2)C(F)(F)F.Cl E8201
c1cc(ccc1CN)c2cc(cc(c2)C(F)(F)F)C(F)(F)F.Cl E8202
c1ccc(c(c1)c2ccc(cc2)CN)Cl.Cl E8203
c1cc(ccc1c2ccc(s2)CN)Cl.Cl E8204
CNCc1ccccc1c2ccc(cc2)F E8205
CNCc1cccc(c1)c2ccc(cc2)OC E8206
CNCc1cccc(c1)c2ccc(cc2)Cl E8207
CNCc1ccc(cc1)c2ccc(cc2)Cl E8208
CNCc1ccc(cc1)c2cc(cc(c2)Cl)Cl E8209
CNCc1ccc(cc1)c2ccc(c(c2)Cl)Cl E8210
Cc1ccc(cc1)c2ccc(cc2)CNC E8212
CNCc1ccc(cc1)c2ccc(cc2)C(F)(F)F E8213
CNCc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F E8215
CNCc1ccc(cc1)c2ccccc2Cl E8216
CNCc1ccc(s1)c2ccc(cc2)Cl E8217
CC1(CC(CC(N1)(C)C)CCO)C E8218
CN(C)C(CN)c1ccccc1 E8219
CN(C)C(CN)c1cccnc1 E8220
CN(C)C(CN)c1ccc(cc1)OC E8221
CN(C)C(CN)c1ccc(cc1)C(F)(F)F E8222
CN(C)C(CN)c1ccccc1Cl E8223
c1ccc(cc1)C(CN)N2CCCC2 E8224
COc1ccc(cc1)C(CN)N2CCCC2 E8225
c1cc(ccc1C(CN)N2CCCC2)C(F)(F)F E8226
c1ccc(c(c1)C(CN)N2CCCC2)Cl E8227
c1ccc(cc1)C(CN)N2CCOCC2 E8228
c1cc(cnc1)C(CN)N2CCOCC2 E8229
COc1ccc(cc1)C(CN)N2CCOCC2.Cl.Cl E8230
c1cc(ccc1C(CN)N2CCOCC2)C(F)(F)F E8231
c1ccc(c(c1)C(CN)N2CCOCC2)Cl E8232
CC(C)(C)OC(=O)N1CCN(CC1)C(CN)c2ccccc2 E8233
CC(C)(C)OC(=O)N1CCN(CC1)C(CN)c2ccc(cc2)C(F)(F)F E8234
CN(C)CC(c1ccccc1)N E8235
CNC(CN(C)C)c1ccccc1 E8236
c1ccc(cc1)C(CN2CCCC2)N E8237
CNC(CN1CCCC1)c2ccccc2 E8238
c1ccc(cc1)C(CN2CCOCC2)N E8239
CNC(CN1CCOCC1)c2ccccc2 E8240
CN1CCN(CC1)CC(c2ccccc2)N E8241
CNC(CN1CCN(CC1)C)c2ccccc2 E8242
CNCC(c1ccc(cc1)OC)N(C)C E8244
CNCC(c1ccc(cc1)C(F)(F)F)N(C)C E8245
CNCC(c1ccccc1Cl)N(C)C E8246
CNCC(c1cccnc1)N(C)C E8247
CNCC(c1ccccc1)N2CCCC2 E8248
CNCC(c1ccc(cc1)OC)N2CCCC2 E8250
CNCC(c1ccc(cc1)C(F)(F)F)N2CCCC2 E8251
CNCC(c1ccccc1Cl)N2CCCC2 E8252
CNCC(c1ccccc1)N2CCOCC2 E8254
CNCC(c1ccc(cc1)OC)N2CCOCC2 E8255
CNCC(c1ccc(cc1)C(F)(F)F)N2CCOCC2 E8256
CNCC(c1ccccc1Cl)N2CCOCC2 E8257
CNCC(c1cccnc1)N2CCOCC2 E8258
COc1ccc(cc1)C(CN)c2ccccc2.Cl E8259
c1ccc(cc1)C(CN)c2ccc(cc2)Cl.Cl E8260
c1ccc(cc1)C(CN)c2cc(cc(c2)Cl)Cl.Cl E8261
c1ccc(cc1)C(CN)c2ccc(c(c2)Cl)Cl.Cl E8262
c1ccc(cc1)C(CN)c2ccc(cc2)F.Cl E8263
Cc1ccc(cc1)C(CN)c2ccccc2.Cl E8264
c1ccc(cc1)C(CN)c2ccc(cc2)C(F)(F)F.Cl E8265
c1ccc(cc1)C(CN)c2cc(cc(c2)C(F)(F)F)C(F)(F)F.Cl E8266
c1ccnc(c1)CN2CCNCC2 E8275
c1cc(cnc1)CN2CCNCC2 E8276
c1ccc(cc1)C2CCCN2 E8277
COc1ccc(cc1)C2CCCN2 E8278
c1cc(ccc1C2CCCN2)C(F)(F)F E8279
c1ccc(c(c1)C2CCCN2)Cl E8280
c1ccc(cc1)CC2CCCN2 E8281
c1ccc(cc1)CCC2CCCN2 E8282
c1ccnc(c1)C2CCCN2 E8283
c1cc(cnc1)C2CCCN2 E8284
c1cnccc1C2CCCN2 E8285
C1CCC(CC1)C2CCCN2 E8286
CC(C)C1CCCN1 E8287
CC(C)CC1CCCN1 E8288
c1ccc(cc1)C2CCNC2 E8289
c1ccc(cc1)CC2CCNC2 E8290
c1ccc(cc1)CCC2CCNC2 E8291
c1ccnc(c1)C2CCNC2 E8292
c1cc(cnc1)C2CCNC2 E8293
c1cnccc1C2CCNC2 E8294
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2 E8295
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2Cl.Cl E8296
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccc(cc2)OC E8298
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccc(cc2)Cl E8299
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccc(cc2)C(F)(F)F E8300
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2cccnc2.Cl E8302
COC(=O)[C@@H]1CNC[C@H]1c2ccccc2Cl E8303
COc1ccc(cc1)[C@@H]2CNC[C@H]2C(=O)OC E8304
COC(=O)[C@@H]1CNC[C@H]1c2ccc(cc2)Cl E8305
COC(=O)[C@@H]1CNC[C@H]1c2ccc(cc2)C(F)(F)F E8306
COC(=O)[C@@H]1CNC[C@H]1c2cccnc2 E8307
CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccccc2)C(=O)O E8308
CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)OC)C(=O)O E8309
CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)F)C(=O)O E8310
Cc1ccc(cc1)C(C(=O)O)N2CCN(CC2)C(=O)OC(C)(C)C E8311
CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(F)(F)F)C(=O)O E8312
CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccccc2OC)C(=O)O E8313
CC(C)(C)OC(=O)N1CCN(CC1)C(CCc2ccccc2)C(=O)O E8314
CC(C)(C)OC(=O)N1CCN(CC1)C(/C=C/c2ccccc2)C(=O)O E8315
CC(C)(C)OC(=O)N1CCN(CC1)C(c2cccs2)C(=O)O E8316
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCc2ccccc2)N.Cl E8317
COC(=O)[C@@H]1C[C@H](CN1C(=O)OCc2ccccc2)N.Cl E8318
COC(=O)[C@@H]1C[C@@H](CN1)NC(=O)OCC2c3ccccc3-c4c2cccc4.Cl E8321
c1cc(ccc1N)Sc2ccc(cc2)F E8323
B(c1cc(ccc1C(=O)OCC(C)(C)C)Br)(O)O E8327
B(c1cc(ccc1C(=O)OCC(C)(C)C)OC)(O)O E8328
B(c1cc(ccc1C(=O)OCC(C)(C)C)Cl)(O)O E8329
B(c1cc(ccc1C(=O)OCC(C)(C)C)C(F)(F)F)(O)O E8330
B(c1cc(ccc1C(=O)OC(C)(C)C)Br)(O)O E8331
B(c1cc(ccc1C(=O)OC(C)(C)C)Cl)(O)O E8333
B(c1cc(ccc1C(=O)OC(C)(C)C)C(F)(F)F)(O)O E8334
c1cc(ccc1C(=O)O)Oc2ccc(cc2)Cl E8335
c1cc(ccc1C(=O)O)Oc2ccc(cc2)F E8336
Cc1ccc(cc1)Oc2ccc(cc2)C(=O)O E8337
c1cc(ccc1C(=O)O)Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F E8338
COc1ccc(cc1)C(c2ccccc2)C(=O)O E8339
c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)O E8340
c1ccc(cc1)C(c2cc(cc(c2)Cl)Cl)C(=O)O E8341
c1ccc(cc1)C(c2ccc(c(c2)Cl)Cl)C(=O)O E8342
c1ccc(cc1)C(c2ccc(cc2)F)C(=O)O E8343
Cc1ccc(cc1)C(c2ccccc2)C(=O)O E8344
c1ccc(cc1)C(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O E8345
c1cc(sc1)C(c2ccc(cc2)C(F)(F)F)C(=O)O E8346
c1cc(ccc1CC(=O)O)c2ccc(cc2)F E8347
c1cc(cc(c1)C(=O)O)c2ccc(cc2)F E8348
c1cc(ccc1c2ccc(c(c2)Cl)Cl)C(=O)O E8349
c1cc(ccc1c2ccc(cc2)F)C(=O)O E8350
Cc1ccc(cc1)c2ccc(cc2)C(=O)O E8351
c1ccc(cc1)Oc2cccc(c2)S(=O)(=O)Cl E8352
COc1ccc(cc1)Oc2cccc(c2)S(=O)(=O)Cl E8353
c1cc(cc(c1)S(=O)(=O)Cl)Oc2ccc(cc2)Cl E8354
c1cc(cc(c1)S(=O)(=O)Cl)Oc2cc(cc(c2)Cl)Cl E8355
c1cc(cc(c1)S(=O)(=O)Cl)Oc2ccc(c(c2)Cl)Cl E8356
c1cc(cc(c1)S(=O)(=O)Cl)Oc2ccc(cc2)F E8357
Cc1ccc(cc1)Oc2cccc(c2)S(=O)(=O)Cl E8358
c1cc(cc(c1)S(=O)(=O)Cl)Oc2ccc(cc2)C(F)(F)F E8359
c1cc(cc(c1)S(=O)(=O)Cl)Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F E8360
COc1ccccc1Oc2cccc(c2)S(=O)(=O)Cl E8361
c1ccc(c(c1)Oc2cccc(c2)S(=O)(=O)Cl)Cl E8362
Cc1ccccc1Oc2cccc(c2)S(=O)(=O)Cl E8363
c1ccc(c(c1)C(F)(F)F)Oc2cccc(c2)S(=O)(=O)Cl E8364
COc1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)Cl E8366
c1cc(ccc1Oc2cc(cc(c2)Cl)Cl)S(=O)(=O)Cl E8367
c1cc(ccc1Oc2ccc(cc2)S(=O)(=O)Cl)F E8368
Cc1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)Cl E8369
c1cc(ccc1Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)S(=O)(=O)Cl E8370
COc1ccccc1Oc2ccc(cc2)S(=O)(=O)Cl E8371
c1ccc(c(c1)Oc2ccc(cc2)S(=O)(=O)Cl)Cl E8372
Cc1ccccc1Oc2ccc(cc2)S(=O)(=O)Cl E8373
c1ccc(c(c1)C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)Cl E8374
c1cc(cc(c1)C(F)(F)F)CS(=O)(=O)Cl E8375
c1cc(ccc1CS(=O)(=O)Cl)Cl E8376
c1c(cc(cc1Cl)Cl)CS(=O)(=O)Cl E8377
c1cc(c(cc1CS(=O)(=O)Cl)Cl)Cl E8378
c1cc(ccc1CS(=O)(=O)Cl)F E8379
Cc1ccc(cc1)CS(=O)(=O)Cl E8380
c1cc(ccc1CS(=O)(=O)Cl)C(F)(F)F E8381
c1c(cc(cc1C(F)(F)F)C(F)(F)F)CS(=O)(=O)Cl E8382
c1ccc(cc1)c2cccc(c2)S(=O)(=O)Cl E8383
COc1ccc(cc1)c2cccc(c2)S(=O)(=O)Cl E8384
c1cc(cc(c1)S(=O)(=O)Cl)c2ccc(cc2)Cl E8385
c1cc(cc(c1)S(=O)(=O)Cl)c2cc(cc(c2)Cl)Cl E8386
c1cc(cc(c1)S(=O)(=O)Cl)c2ccc(c(c2)Cl)Cl E8387
c1cc(cc(c1)S(=O)(=O)Cl)c2ccc(cc2)F E8388
Cc1ccc(cc1)c2cccc(c2)S(=O)(=O)Cl E8389
c1cc(cc(c1)S(=O)(=O)Cl)c2ccc(cc2)C(F)(F)F E8390
c1cc(cc(c1)S(=O)(=O)Cl)c2cc(cc(c2)C(F)(F)F)C(F)(F)F E8391
COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)Cl E8392
c1cc(ccc1c2ccc(cc2)Cl)S(=O)(=O)Cl E8393
c1cc(ccc1c2cc(cc(c2)Cl)Cl)S(=O)(=O)Cl E8394
c1cc(ccc1c2ccc(c(c2)Cl)Cl)S(=O)(=O)Cl E8395
c1cc(ccc1c2ccc(cc2)S(=O)(=O)Cl)F E8396
Cc1ccc(cc1)c2ccc(cc2)S(=O)(=O)Cl E8397
c1cc(ccc1c2ccc(cc2)S(=O)(=O)Cl)C(F)(F)F E8398
c1cc(ccc1c2cc(cc(c2)C(F)(F)F)C(F)(F)F)S(=O)(=O)Cl E8399
c1ccc(cc1)C(CS(=O)(=O)Cl)c2ccccc2 E8400
c1ccc(cc1)C(CS(=O)(=O)Cl)c2ccccc2Cl E8401
c1ccc(cc1)C(CS(=O)(=O)Cl)c2ccccc2C(F)(F)F E8402
c1ccnc(c1)Oc2ccc(cc2)S(=O)(=O)Cl.Cl E8403
c1cc(cnc1)Oc2ccc(cc2)S(=O)(=O)Cl.Cl E8404
c1cc(ccc1Oc2ccncc2)S(=O)(=O)Cl.Cl E8405
C1CC1S(=O)(=O)Cl E8406
c1cnccc1CS(=O)(=O)Cl.C(F)(F)(F)S(=O)(=O)O E8407
c1cc(ncc1CN)Cl E8544
CCOC(=O)c1c(n[nH]c1N)C E8813
Cc1c(c([nH]n1)N)Cl.Cl E8814
Cc1c(c(n(n1)c2ccccc2)N)C#N E8815
c1c(cc(c(c1Cl)n2c(c(cn2)C#N)N)Cl)Cl E8816
Cc1cc(n(n1)c2ccc(cc2)[N+](=O)[O-])N E8818
Cc1cc(n(n1)c2c(cc(cc2Cl)Cl)Cl)N E8819
CCOC(=O)c1c(cc([nH]1)C)C E8820
CCOC(=O)c1c(c(c([nH]1)C)C(C)(C)C)C E8821
CC(C)Sc1nnc(s1)S E8822
CC(C)CSc1nnc(s1)S E8823
CC(C)(C)Sc1nnc(s1)S E8824
CC(C)CCSc1nnc(s1)S E8825
C(CSc1nnc(s1)S)C(=O)O E8829
CC(C(=O)O)Sc1nnc(s1)S E8830
C(C(C(=O)O)Sc1nnc(s1)S)C(=O)O E8831
c1ccc(cc1)CSc2nnc(s2)S E8832
c1ccnc(c1)Sc2nnc(s2)S E8835
CCOC(=O)c1nnc(s1)N E8836
c1ccc(cc1)Cc2[nH]c(nn2)N E8837
COCc1nnc(n1N)S E8840
CCCc1nnc(n1N)CCC E8842
CCCCCCCc1nnc(n1N)CCCCCCC E8846
COCc1nnc(n1N)COC E8847
CCc1nnc(o1)N E8849
CCOC(=O)c1nnc(o1)N E8854
c1ccc(cc1)C(c2ccccc2)N3CCNCC3 E9052
c1ccc(cc1)C(CN)c2ccccc2.Cl E9053
c1cc(ccc1Oc2ccc(c(c2)Cl)Cl)S(=O)(=O)Cl E9054
c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Cl E9055
c1c(cncc1N)C(=O)O E9066
CC(C)(C)OC(=O)N1CCCC(=O)C1 E9078
Cc1c(sc(n1)N)C(=O)O E9136
c1c(nc(s1)N)C(=O)O E9147
Cn1c(c(c(n1)c2ccccc2)C=O)Sc3ccccc3C(=O)OC E9153
c1ccc(cc1)Sc2c(cccn2)C=O E9154
COc1ccc(cc1)c2ccc(s2)C(=O)O E9160
c1ccnc(c1)/C(=C/C#N)/N E9173
c1ccc(cc1)CN2CCC(CC2)(C#N)c3ccccc3.Cl E9181
c1([nH]nc(n1)Br)[N+](=O)[O-] E9239
CSc1ccc(cc1)/C=C/C(=O)O E9260
Cc1nc([nH]n1)S E9261
c1cc(cnc1)S(=O)(=O)[O-].[Na+] E9262
C[n+]1ccncc1.[I-] E9263
Cc1ccc([n+](c1)C)C.[I-] E9264
C[n+]1cccc2c1cccc2.[I-] E9265
c1ccc(cc1)C2CCC(=O)N=N2 E9267
c1ccc(cc1)c2cc(nc(n2)c3ccccc3)Cl E9269
Cc1cc(ncc1Br)Br E9270
c1ccc(c(c1)CN2C(=O)c3ccccc3C2=O)C(=O)Cl E9272
c1ccc(cc1)c2[nH]c(=O)ccn2 E9273
c1ccnc(c1)N[N+](=O)[O-] E9274
c1cc(=O)[nH]cc1[N+](=O)[O-] E9275
c1(c(nc([nH]c1=O)S)N)N E9276
c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-] E9277
c1ccc(cc1)C(=O)N2CCCCC2 E9278
c1cc2c(cc1[N+](=O)[O-])c(=O)[nH]cn2 E9279
c1cc(cnc1)c2[nH]c(nn2)S E9280
c1ccc(cc1)c2[nH]c(nn2)S E9281
c1ccc(cc1)CSc2cncc(n2)C(=O)O E9282
CCSc1cncc(n1)C(=O)O E9283
CNc1cncc(n1)C(=O)O E9284
CNc1cncc(n1)C(=S)N E9285
c1c(nc(cn1)N2CCOCC2)C(=O)O E9286
COc1cncc(n1)C(=S)N E9287
COc1cncc(n1)C(=O)O E9288
COc1cncc(n1)C(=N)OC E9289
c1(c(non1)N)N E9290
C1Cc2c(non2)/C(=N/O)/C1 E9291
c1([nH]nc(n1)N)c2[nH]nc(n2)N E9292
C(C(=O)N)[N+](=O)[O-] E9293
COc1ccccc1NN E9294
c1c(cc(c(c1[N+](=O)[O-])C(=O)Cl)[N+](=O)[O-])[N+](=O)[O-] E9295
Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N E9296
c1[nH]nnn1 E9297
c1c(cc(c(c1[N+](=O)[O-])C(=O)N)[N+](=O)[O-])[N+](=O)[O-] E9298
C1C2C3CC4C(C3C1C5C2O5)O4 E9299
CC1(C(N(C(=S)S1)C)NO)C E9300
CC1=CC(SC(=N1)N)(C)C.Cl E9301
CC1(C(SC(=S)N1C)(C)NO)C E9302
Cc1cc(=O)[nH]c(n1)N E9303
COc1cc(nc(n1)N)F E9304
COc1cc(nc(n1)N)Cl E9305
c1c(nc(nc1F)N)N2CCOCC2 E9306
C1=NC2=NC(=NC2C(=N1)N)Br E9307
Cc1cccc2c1OCN(C2)C E9308
CC(c1ccccc1)c2nnc(s2)N E9309
COc1ccccc1c2nnc(s2)N E9310
c1ccc(cc1)OCc2nnc(s2)N E9311
c1cc(ccc1c2nnc(s2)N)C(=O)O E9312
c1cc(ccc1c2ccc(o2)C(=O)Cl)Cl E9313
c1cc(c(cc1Cl)Cl)c2ccc(o2)C(=O)O E9314
c1cc(ccc1N)SC(F)(F)F E9430
COc1ccc(cc1C(=O)Cl)Cl E9443
c1ccc(c(c1)C(=O)O)N2CCS(=O)(=O)CC2 E9504
c1ccc(cc1)S(=O)(=O)c2cc(ccc2O)O E9505
c1cc(cc(c1)Oc2c(cc(cn2)C(F)(F)F)Cl)O E9506
Cn1c(cc(n1)c2ccccc2)O E9507
c1cc(ccc1C#N)Oc2ccc(c(c2)F)Cl E9508
c1ccc2c(c1)ccc3c2CC(O3)C(=O)O E9509
c1ccc(cc1)Cc2c(nc3ccccc3n2)Cl E9510
CC(=O)c1cccc(c1)OCc2c(cccc2Cl)F E9511
c1ccc2c(c1)ccc3c2CC(O3)C(=O)NN E9512
CC(=O)c1cccc(c1)OCc2ccc(cc2Cl)Cl E9513
c1ccc(cc1)C2C(=C(C(=O)O2)Br)Br E9514
c1c(c(cc2c1OCO2)Br)C=O E9515
CN1CCN(CC1)c2ccc(cn2)[N+](=O)[O-] E9516
c1cc(c(nc1)SCCC(=O)O)C(=O)O E9517
COc1ccccc1/C=C(\c2ccccc2)/C(=O)OC E9518
c1cc(c(nc1)SCC(=O)O)C(=O)O E9519
COc1ccccc1/C(=C\c2ccccc2)/C(=O)O E9520
CC1=C(SC2=N1NC=N2)C(=O)C E9521
Cc1c(sc2n1ncn2)C(=O)CBr.Br E9522
c1cc(c(cc1CN2CCC(CC2)C(=O)NN)Cl)Cl E9523
COc1cc(ccc1C=O)[N+](=O)[O-] E9767
c1ccc2c(c1)c(nc(n2)O)C(=O)O E9901
B(c1cccc(c1C)C)(O)O F8025
B(c1cc(ccc1C)C)(O)O F8026
B1(OC(C(O1)(C)C)(C)C)c2ccco2 F8046
B1(OC(C(O1)(C)C)(C)C)c2ccncc2 F8047
CC(C)(C)OC(=O)N1CCC[C@H]1C#N F8068
CC(C)(C)OC(=O)N1CCC(=O)C1 F8118
Cc1c(cno1)C(=O)O F8148
c1cc2c(cc1C(=O)O)C(=O)CCC2 F8181
CC1(CC(CCO1)N)C F8315
CC(C)(C)OC(=O)NCc1cccc(c1)CN F8332
Cc1nc(cs1)CC(=O)O F8508
c1c(ncs1)C(=O)O F8607
B(c1ccc(cc1)O)(O)O F8842
C1C=CCC1O F9455
CN(CC(C(F)(F)F)O)C1CCCCC1 F9465
CC1CN(CC(O1)C)CC(C(F)(F)F)O F9466
CCC(=O)c1cc([nH]c1)C(=O)C(Cl)(Cl)Cl F9467
c1cc(ccc1C(=O)c2cc([nH]c2)C(=O)C(Cl)(Cl)Cl)Cl F9469
c1ccc2c(c1)CCC(=C2Cl)C=O F9470
COC(=O)c1cc2c(s1)-c3ccccc3CC2 F9471
c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O F9472
CCOC(=O)c1cc2cccn2cn1 F9473
c1cc2c(cc1[N+](=O)[O-])nccn2 F9474
c1ccc(cc1)CC(=O)c2cc([nH]c2)C(=O)C(Cl)(Cl)Cl F9475
Cc1cccc2c1nc(cc2C)O F9476
c1cc(ccc1C(=O)O)N2CCS(=O)(=O)CC2 F9477
COC(=O)c1ccc(cc1)N2CCS(=O)(=O)CC2 F9478
Cc1cccc(n1)n2cc(nc2)C(=O)OC F9479
CC(C)(CO)C(C(=O)N)O F9480
c1ccc(cc1)/C(=C\c2cccs2)/C(=O)O F9481
CCOC(=O)c1cc2c3ccccc3ccc2o1 F9482
c1cc(ccc1C(=O)c2cc([nH]c2)C(=O)C(Cl)(Cl)Cl)F F9483
Cc1ccc(cc1)C(=O)c2cc([nH]c2)C(=O)C(Cl)(Cl)Cl F9484
COC(=O)/C(=C/c1cccs1)/c2ccccc2 F9485
COc1cccc(c1)C(=O)c2cc([nH]c2)C(=O)C(Cl)(Cl)Cl F9487
COc1ccc(cc1Cl)CN.Cl F9488
COC(=O)c1ccc(c(c1)[N+](=O)[O-])N2CCNCC2 F9489
Cc1c(non1)C(=O)C F9490
c1ccc(cc1)c2ccnc3c2c(n[nH]3)N F9526
C1C=CCC1=O F9606
c1cc2nc(cn2cc1Cl)C(=O)O F9795
c1(c(non1)N)C(=O)O F9811
B(c1ccc(cc1)C(=O)N)(O)O G9773
B(c1cccc(c1)N(C)C)(O)O G9791
B(c1ccc2c(c1)ccn2C)(O)O G9799
B(c1cc2ccccc2n1C(=O)OC(C)(C)C)(O)O G9811
c1c(cc(c(c1F)C=O)F)Br GT118
CCCC(=O)c1ccc(cc1)O H2760
CC1CN(CCC1=O)C H3790
c1csc2c1[nH]c(=O)oc2=O H3868
COc1ccc(cc1)OCC(CN)O H5461
CN1CCN(CC1)c2ccc(cc2)[N+](=O)[O-] H6189
CN1c2ccccc2C(NCC1=O)c3ccccc3 H6222
c1c(nc(s1)CC(=O)N)O H8474
c1c(c(cc2c1[nH]c(n2)O)N)N.Cl.Cl H8846
c1c(c(cc2c1[nH]cn2)N)N.Cl.Cl.Cl H8848
c1cc(nc(c1)C=O)C=O H9098
CSc1c(c(c(s1)C(=O)O)c2ccc(cc2)Cl)C#N H9536
CC(C)(C)C(=O)N1CCCCC1CO HG106
CS(=O)(=O)c1cccc(c1)C(=O)O I0220
c1ccc(cc1)COc2ccc(cc2)/C=C/C(=O)O I1873
Cc1ccncc1Br I2743
c1c(n[nH]c1N)C2CC2 I3078
c1cncc(c1O)[N+](=O)[O-] I3607
c1cc(cnc1)c2c(non2)N I4534
CC(C)(C)OC(=O)N(C)CCCN I5157
CS(=O)(=O)c1ccc(cc1)C=O I5291
c1c(nc(s1)N)C(F)(F)F I5463
C1CCc2c(nc(s2)N)C1 I5608
c1(nnc(n1N)S)C(F)(F)F I7183
c1ccc(cc1)c2cn[nH]c2N I8774
Cc1c(c(n(n1)C)Cl)C=O J1195
c1cc2c(cc[nH]2)cc1Cl J1213
Cc1[nH]c2ccc(cc2n1)Cl J1307
C(c1c(snn1)Cl)Cl J1360
COc1ccc(c(c1)O)[N+](=O)[O-] J1636
c1csc2n1c(c(n2)Cl)C=O J2896
CC(C)(C)OC(=O)N1CCCC(C1)C#N J5095
CCOC(=O)c1cc(c(nc1Cl)C)C#N J6402
CCOC(=O)c1c(c2c([nH]1)CCCC2)C J7000
CCOC(=O)c1ccc(cc1)NN.Cl J7401
CCOC(=O)c1cc(n(n1)Cc2ccc(cc2)C)C J7778
c1ccc2c(c1)cncc2C=O J8202
COC(=O)c1cccc2c1[nH]cc2 J8309
Cc1c(nc(s1)c2ccccc2)CC(=O)OC J8419
COC(=O)c1c(ccs1)c2ccc(o2)C=O J9022
COC(=O)c1c(c2ccccc2s1)N J9468
COC(=O)c1c(c2cccnc2s1)N J9470
COC(=O)C1CCC(CC1)O J9803
COC(=O)c1cc(c(nc1)Cl)Cl J9920
CS/C(=N\N)/NN.I K0188
c1ccc(c(c1)C(=O)Nc2c(c(n[nH]2)Br)Br)F K1104
c1ccc(cc1)CN(CCCl)CCCl.Cl L2082
C(=O)NNC(=S)N L4109
Cc1cc(nc(c1C(=O)O)O)C L4185
C/C=C/c1ccccc1 L4926
c1ccnc(c1)c2nc(cc(n2)O)C(F)(F)F L4958
CN(C)/C=C(/C#N)\c1cccs1 N4787
CCOC(=O)C(C)(C)n1cncn1 N4788
c1ncn(n1)CC#N N4789
c1cc(c(cc1Cl)Cl)Cn2cc(ccc2=O)C(=O)O N4790
c1cc(c(cc1Cl)Cl)Cn2cc(cc(c2=O)Cl)C(=O)O N4791
CC1(NC(=O)N(N1)c2ccccc2)c3ccc(cc3)N N4792
CCOC(=O)CNc1c(cc(cn1)C(F)(F)F)Cl N4793
Cn1c(c(c(n1)C(F)(F)F)CO)Cl N4794
Cn1c(c(c(n1)C(F)(F)F)C=O)Oc2cccc(c2)C(F)(F)F N4795
Cn1c(c(c(n1)C(F)(F)F)C=O)Oc2cccc(c2)Cl N4796
Cn1c(c(c(n1)C(F)(F)F)C(=O)O)Oc2cccc(c2)Cl N4797
CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)O N4798
c1cc(cc(c1)Cl)CO[NH3+].[Cl-] N4799
c1c(cnc(c1Cl)Sc2nc([nH]n2)N)C(F)(F)F N4800
Cn1cccc1C(C#N)N(C)C N4801
c1cc(cc(c1)C(F)(F)F)CSc2ccsc2C(=O)O N4802
c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2ccc(cc2)Cl N4803
Cc1ccc(cc1)S(=O)(=O)NC(c2ccccc2)C(=O)OC N4804
CC(C)CC(C(=O)OC)NS(=O)(=O)c1ccc(cc1)Cl N4805
Cc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)OC N4806
c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl N4807
COc1ccc(cc1)S(=O)(=O)NC(c2ccccc2)C(=O)O N4808
c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2cccc(c2)C(F)(F)F N4809
c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2ccccc2Cl N4810
Cc1ccc(cc1)S(=O)(=O)NC(c2ccccc2)C(=O)O N4811
CC(C(=O)O)NS(=O)(=O)c1cccc(c1)C(F)(F)F N4812
CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)OC N4813
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2ccc(cc2)Cl N4814
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2ccccc2Cl N4815
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2cccc(c2)C(F)(F)F N4816
CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Br N4817
c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2ccc(cc2)F N4818
CC(C(=O)O)NS(=O)(=O)c1ccccc1Cl N4819
CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)F N4820
CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)Cl N4821
CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)Br N4822
CC(C)C(C(=O)O)NS(=O)(=O)c1ccccc1Cl N4823
CC(C)C(C(=O)O)NS(=O)(=O)c1cccc(c1)C(F)(F)F N4824
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2ccc(cc2)F N4825
c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c2ccc(cc2)Br N4826
COc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)O N4827
COC(=O)CSc1ccsc1C(=O)O N4828
c1cc(ccc1S(=O)(=O)N2CCCC2C(=O)O)Cl N4829
c1ccc(c(c1)S(=O)(=O)N2CCCC2C(=O)O)Cl N4830
c1cc(ccc1F)S(=O)(=O)N2CCCC2C(=O)O N4831
c1cc(cc(c1)S(=O)(=O)N2CCCC2C(=O)O)C(F)(F)F N4832
c1cc(ccc1CSc2ccsc2C(=O)O)Cl N4833
c1c(c(cc(c1Cl)Cl)Cl)S(=O)(=O)N2CCCC2C(=O)O N4834
c1ccc(cc1)CN2CCN(CC2)c3ccc(cc3)N N4835
CC(C)CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Cl N4836
CC(C)CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)F N4837
CC(C)CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Br N4838
CC(C)CC(C(=O)O)NS(=O)(=O)c1cccc(c1)C(F)(F)F N4839
CC(C)CC(C(=O)O)NS(=O)(=O)c1ccccc1Cl N4840
CCOC(=O)C1=NOC(C1)CON2C(=O)c3ccccc3C2=O N4842
c1c(cc(cc1Cl)Cl)CO N4843
COc1ccc(cc1OC)S(=O)(=O)N2CC(CC2C(=O)O)O N4844
c1c(cnc(c1Cl)NCC2CC(=NO2)C(=O)NN)C(F)(F)F N4845
COc1ccc(cc1OC)S(=O)(=O)N2CC(CC2C(=O)OC)O N4846
COc1ccc(cc1OC)S(=O)(=O)N2CC(CC2C(=O)OC)Cl N4847
COC(=O)C1CC(CN1c2c(cc(cn2)C(F)(F)F)Cl)Cl N4848
c1cc(sc1)S(=O)(=O)N2CC(CC2C(=O)O)O N4849
c1cc(oc1)C(=O)N2CC(CC2C(=O)O)O N4850
Cn1cc(cc1C=O)C(=O)c2ccc(cc2)F N4851
Cn1cc(cc1C=O)C(=O)c2ccccc2 N4852
c1ccc(cc1)C2(CO2)c3ccccc3 N4853
CCOC(=O)c1c(snn1)Sc2ccc(cc2)C(F)(F)F N4854
c1cc(ccc1C(F)(F)F)Sc2c(nns2)C(=O)O N4855
COC(=O)c1c(ccs1)Oc2ccc(cc2F)[N+](=O)[O-] N4856
c1cc(ccc1[N+](=O)[O-])Oc2ccsc2C(=O)O N4857
COC(=O)c1c(ccs1)Oc2ccccc2[N+](=O)[O-] N4858
c1ccc(c(c1)[N+](=O)[O-])Oc2ccsc2C(=O)O N4859
c1ccc(cc1)c2ccc(c(n2)Cl)C#N N4860
c1cc(ccc1c2ccc(c(n2)Cl)C#N)Cl N4861
c1cc(ccc1c2ccc(c(n2)Cl)C#N)F N4862
COC(=O)c1c(ccs1)Oc2c(cccc2Cl)[N+](=O)[O-] N4863
CN(c1c(cc(cn1)C(F)(F)F)Cl)N/C(=C/C#N)/N N4864
CC(=O)c1ccc(cc1)Oc2cccc(c2C#N)Cl N4865
CCOC(=O)c1c(nns1)C(C)C N4866
CC(C)c1c(snn1)C(=O)O N4867
CCOC(=O)c1c(nns1)C N4868
Cc1c(snn1)C(=O)O N4869
CC(=O)CC(=O)Nc1ccc(cc1)C(=O)OC N4870
C/C(=C\C(=O)Nc1ccc(cc1)C(=O)OC)/N2CCCC2 N4871
c1ccc(cc1)C(=O)c2ccc(cc2)C(C#N)c3ccc(cc3)F N4872
Cn1c(c(c(n1)C(F)(F)F)C#N)OC N4873
c1ccc(cc1)Sc2ccc(cc2N)C#N N4874
Cc1c(sc(n1)c2ccc(cc2)Cl)C(=O)OC N4875
Cc1c(n(c(c1C#N)N)Cc2ccccc2)C N4876
CC(C)(C)n1c(c(c(n1)c2ccc(cc2)Cl)C#N)N N4877
c1cc(ccc1c2cc(on2)CO)Cl N4878
CC(C)(C)c1ccc(cc1)Sc2c(c(nn2C)c3ccccc3)C=O N4879
Cn1c(c(c(n1)c2ccccc2)C=O)Sc3ccc(cc3)OC N4880
CC(C)(CCl)C(=O)Nc1ccc(cc1)N(C)C N4881
c1ccc(c(c1)C(=O)O)SCC(=O)O N4882
COCCn1cc(c(=O)[nH]c1=O)C#N N4883
COc1ccc(cc1)CN2CC(C(=O)NC2=O)C(=N)N N4884
c1cnccc1Cn2cc(c(=O)[nH]c2=O)C#N N4885
c1cc(c(c(c1)Cl)NCCNc2c(cc(cn2)C(F)(F)F)Cl)N N4886
c1cnccc1CN2CC(C(=O)NC2=O)C(=N)N N4887
c1cc(c(cc1Cl)N)NCCNc2c(cc(cn2)C(F)(F)F)Cl N4888
c1cc(c(cc1Cl)[NH3+])NCCNc2c(cc(cn2)C(F)(F)F)Cl.[Cl-] N4889
CCOC(=O)c1cnc(nc1Cl)c2ccccc2 N4890
COC(=O)c1ccc(cc1)Oc2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] N4891
CN1CCN(CC1)c2ccc(cc2[N+](=O)[O-])C(=O)O N4892
c1c(cnc(c1Cl)n2cc(cc(c2=O)Cl)C(F)(F)F)C(F)(F)F N4893
CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)C N4894
C1CN(CCN(C1)CC(C(F)(F)F)O)CC(C(F)(F)F)O N4895
c1ccc(c(c1)C#N)n2ccnc2 N4896
C[n+]1ccn(c1)c2ccccc2C#N.[I-] N4897
COC(=O)c1ccc(cc1)n2ccnc2 N4898
Cc1c(c(no1)c2ccccc2)C(=O)OC N4899
COC(=O)c1cn(c(=O)c2c1cccc2)c3ccc(cc3)Cl N4900
COC(=O)c1cn(c(=O)c2c1cccc2)Cc3cccnc3 N4901
CCOC(=O)C(=O)NNc1c(cc(cn1)C(F)(F)F)Cl N4902
CCOC(=O)C(=O)Nc1ccc(cc1Cl)Cl N4903
CCOC(=O)C(=C1OCCO1)C#N N4904
C(COc1c(c(=O)[nH]c(n1)N)C#N)O N4905
CCOC(=O)NC(=O)CC#N N4906
Cn1cc(c(=O)[nH]c1=O)C#N N4907
c1ccc(cc1)Cn2cc(c(=O)[nH]c2=O)C#N N4908
CN1CC(C(=O)NC1=O)C(=N)N N4909
c1cc(ccc1n2cc(c(=O)[nH]c2=O)C#N)Cl N4910
c1ccc(cc1)n2cc(c(=O)[nH]c2=O)C#N N4911
c1ccc(cc1)N2CC(C(=O)NC2=O)C(=N)N N4912
CC(=O)c1ccc(cc1)n2cc(c(=O)[nH]c2=O)C#N N4913
COc1ccc(cc1)n2cc(c(=O)[nH]c2=O)C#N N4914
COn1cc(c(=O)[nH]c1=O)C#N N4915
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N N4916
CCOC(=O)c1c(onc1OCCO)N N4917
CCOC(=O)c1c(n(nc1OCCO)c2ccc(cc2)Cl)N N4918
c1ccc(cc1)COc2ccsc2C(=O)O N4919
CC(C)(C(=O)O)n1cncn1 N4920
Cc1c(c(n(n1)C)Oc2ccc(cc2)Cl)C=O N4921
Cc1c(c(n(n1)C)Oc2ccc(cc2)Cl)C(=O)O N4922
Cc1c(c(n(n1)C)Oc2cccc(c2)Cl)C=O N4923
c1cc(nnc1N2CCC(CC2)C(=O)N)Cl N4924
C=CCOc1ccc2ccccc2c1C=O N4925
c1cc(c(nc1)Sc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O N4926
c1ccc(cc1)c2nc(cs2)c3ccccc3C(=O)O N4927
c1ccc2c(c1)ccc3c2C4C(CO3)CON4C(=O)CCl N4928
c1c(cnc(c1Cl)N2CCN(CC2)C(=O)CO[NH3+])C(F)(F)F.[Cl-] N4929
c1ccc(cc1)Nc2nc(cs2)c3ccccc3C(=O)O N4930
c1c(cnc(c1Cl)N2CCN(CC2)c3nc(cs3)CCl)C(F)(F)F N4931
c1c(cnc(c1Cl)N2CCC(CC2)C(=O)NCCO)C(F)(F)F N4932
CN(CCO)C(=O)C1CCN(CC1)c2c(cc(cn2)C(F)(F)F)Cl N4933
c1ccc(cc1)CSc2nc([nH]n2)N N4934
c1cc(c(cc1Cl)Cl)CSc2nc([nH]n2)N N4935
c1cc(c(c(c1)F)C#N)C(C#N)c2ccc(cc2)F N4936
CC(C)(C)c1ccc(cc1)n2c(=O)cc(c(n2)C(=O)OC)O N4937
Cn1cccc1C(C#N)c2cccc(c2C#N)F N4938
c1cc(cc(c1)C(F)(F)F)CSc2nc([nH]n2)N N4939
C#CCSc1nc([nH]n1)N N4940
c1csc(c1SCC(=O)N)C(=O)O N4941
Cc1c(c(n(n1)c2ccccc2)Cl)C=O N4942
COc1cccc(c1)c2c(c(nc(n2)c3ccccc3)O)C#N N4943
COc1cccc(c1)c2c(c(nc(n2)c3ccccc3)Cl)C#N N4944
COC(=O)c1c(ccs1)Oc2ccc(cn2)[N+](=O)[O-] N4945
COC(=O)c1c(ccs1)Oc2ccc(cc2[N+](=O)[O-])F N4946
c1cc(c(cc1F)[N+](=O)[O-])Oc2ccsc2C(=O)O N4947
C/C(=C(/C#N)\C(=O)N)/N(C)C N4948
c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)CC#N N4949
COC(=O)C1CCN(CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] N4950
COC(=O)C1CCN(CC1)c2ccc(cc2)[N+](=O)[O-] N4951
c1cc(ccc1N2CCC(CC2)C(=O)O)[N+](=O)[O-] N4952
c1c(cc(c(c1[N+](=O)[O-])N2CCC(CC2)C(=O)O)[N+](=O)[O-])C(F)(F)F N4953
Cc1c(cnc2n1ncc2C#N)C(=O)C N4954
c1ccc(c(c1)C(=O)c2ccc(s2)CC#N)F N4955
c1ccc(cc1)C(=O)c2ccc(s2)CC#N N4956
COc1ccc(cc1)c2ccnc3n2nc(n3)N N4957
c1ccnc(c1)c2ccnc3n2nc(n3)N N4958
COc1ccc(cc1)/C=C/c2ccnc3n2nc(n3)N N4959
CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC N4960
c1cc(ccc1Sc2ccc(cc2N)C#N)Cl N4961
c1cc(c(c(c1)Cl)Sc2ccc(cc2N)C#N)Cl N4962
Cc1ccc(cc1)Sc2ccc(cc2C#N)N N4963
C[NH2+]C1c2cc(ccc2OCC1CO)Br.[Cl-] N4964
C[NH2+]C1c2cccc(c2OCC1CO)OC.[Cl-] N4965
c1ccc2c(c1)ccc3c2C(C(CO3)CO)[NH3+].[Cl-] N4966
CCOC(=O)CNC(=S)N(C)C1c2cccc(c2OCC1CO)OC N4967
c1cc(cc(c1)C(F)(F)F)CN2c3ccc(cc3C(=O)C2=O)Cl N4968
c1cc(ccc1c2cc(on2)C(=O)O)Cl N4969
c1ccc(c(c1)c2cc(on2)C(=O)O)Cl N4970
CC(C)N1c2ccccc2C(=O)C1=O N4971
Cc1ccc(cc1)CN2c3ccccc3C(=O)C2=O N4972
CC(=O)c1cc(no1)c2ccc(cc2)Cl N4973
C=CCN1c2ccccc2C(=O)C1=O N4974
CC(C)(CCl)C(=O)Nc1cccc(c1)[N+](=O)[O-] N4975
c1ccc(cc1)C(=N)NCC(=O)O N4976
c1ccc(cc1)c2[nH]c(c(n2)C=O)Cl N4977
Cn1cc(c(n1)C(F)(F)F)C(=O)O N4978
c1cc(cc(c1)C(F)(F)F)C(=N)NCC(=O)O N4979
CN(CCO)c1ccccn1 N4980
c1ccc(cc1)Oc2ccccc2/C=C/C(=O)O N4981
COc1ccc(cc1)Oc2ccccc2C=O N4982
c1ccc(c(c1)C=O)Oc2ccc(cc2)Cl N4983
CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)OC N4984
c1ccc(cc1)COC(=O)N2CCC(CC2)C(=O)O N4985
c1cc(ccc1C=O)OCCCF N4986
CCOC(=O)C(=Cc1ccc(cc1)OC)C(=O)OCC N4987
COc1ccc(cc1)Oc2ccccc2C#N N4988
c1cc(c(c(c1)Cl)COc2ccc(cc2)C=O)F N4989
c1ccc(cc1)C(C(=O)O)N2CCS(=O)(=O)CC2 N4990
c1cc(ccc1C#N)n2ccnc2 N4991
Cc1cc(n(n1)C(=O)/C(=C/N(C)C)/C#N)C N4992
COC(=O)Cc1c(nnn1c2ccc(cc2)Cl)C(=O)OC N4993
COC(=O)Cc1c(nnn1c2ccc(cc2Cl)Cl)C(=O)OC N4994
COC(=O)Cc1c(nnn1c2ccc(cc2)[N+](=O)[O-])C(=O)OC N4995
COc1ccc(cc1)n2c(c(nn2)C(=O)OC)CC(=O)OC N4996
COC(=O)Cc1c(nnn1c2cccc(c2)C(F)(F)F)C(=O)OC N4997
c1cc(cc(c1)C(F)(F)F)CO[NH3+].[Cl-] N4998
c1cc(c(c(c1)Cl)CO[NH3+])F.[Cl-] N4999
Cc1nnc2n1c3ccccc3nc2Cl N5000
CC(C(=O)OC)n1cncn1 N5001
Cc1c(c(n(n1)C)Oc2cccc(c2)C(F)(F)F)C(=O)O N5002
Cc1c(c(n(n1)C)Oc2cccc(c2)Cl)C(=O)O N5003
Cc1c(sc(n1)c2ccccc2)C(=O)O N5004
Cc1c(c(n(n1)C)Cl)C(=O)O N5005
c1cc(ccc1c2nc(cs2)C(=O)O)Cl N5006
Cc1c(sc(n1)c2ccc(cc2)Cl)C(=O)O N5007
c1cc(cc(c1)C(F)(F)F)c2nc(cs2)C(=O)O N5008
CC(=O)CC(=O)NC(=O)CCl N5009
c1cc(c(c(c1)F)C#N)C(C#N)c2cccs2 N5010
c1c(cnc(c1Cl)SCC#N)C(F)(F)F N5011
CCOC(=O)c1c(snn1)Sc2ccc(cc2)C N5012
Cc1nc(nn1c2ccc(cc2)[N+](=O)[O-])C(=O)O N5013
CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Cl N5014
CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)F N5015
c1cc(ccc1S(=O)(=O)NCC(=O)O)Cl N5016
c1cc(ccc1S(=O)(=O)NCC(=O)O)Br N5017
CCCO[NH3+].[Cl-] N5018
CC(C)O[NH3+].[Cl-] N5019
CCOC(=O)c1c(c[nH]c1N)c2c(ccs2)Cl N5020
CC(C)(C=O)Sc1ccccc1 N5021
CC(C(=O)C)Oc1ccc(cc1)C#N N5022
CC(C)(C=O)Sc1ccc(cc1)Cl N5023
CC(c1ccnc2n1nc(n2)N)Oc3cccc(c3)C(F)(F)F N5024
COc1ccc(cc1)Sc2ccc(cc2C#N)N N5025
c1cc(cc(c1)Sc2ccc(cc2C#N)N)C(F)(F)F N5026
c1cc(cc(c1)Cl)n2c(=O)c(c(cn2)NCCO)Cl N5027
c1ccc(cc1)c2cc(on2)C(=O)O N5028
CC(C)(C)n1c(c(c(n1)c2ccc(cc2)F)C#N)N N5029
C#CCN1c2ccccc2C(=O)C1=O N5030
Cn1c2c(cc(s2)C(=O)O)c(n1)C(F)(F)F N5031
CCCCCCCCCc1ccc(cc1)OCC(=O)O N5032
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c3ccc(cc3Cl)Cl N5033
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c3cccc(c3)C(F)(F)F N5034
CCOC(=O)Cc1c(cccn1)C(=O)Nc2ccc(cc2)Oc3ccccc3 N5035
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c3ccsc3C(=O)OC N5036
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c3ccccc3 N5037
CCOC(=O)C1C2C1C(=O)N(C2=O)c3ccccc3 N5038
CCOC(=O)CNC(=S)Nc1ccccc1 N5039
CCOC(=O)CNC(=S)Nc1ccc(cc1)OC N5040
CCOC(=O)CN1C(=O)C(=O)N(C1=O)Cc2c(cccc2Cl)Cl N5041
Cc1ccc(cc1)Oc2ccccc2/C=N/O N5044
c1ccc(cc1)Oc2ccccc2/C=N/O N5045
COc1ccc(cc1)Oc2ccccc2/C=N/O N5046
c1ccc(c(c1)/C=N/O)Oc2ccc(cc2)Cl N5047
COc1ccc(cc1)Oc2ccccc2/C=C/C(=O)O N5048
CC(C)(C)c1ccc(cc1)Oc2ccccc2C=O N5049
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(cc2)Cl N5050
Cc1ccc(cc1)Oc2ccccc2/C=C/C(=O)O N5051
c1ccc(c(c1)C=O)Oc2ccc(cc2Cl)Cl N5052
c1ccc(c(c1)C=O)Oc2cccc(c2)Cl N5053
c1ccc(c(c1)C=O)Oc2ccc(cc2)F N5054
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(cc2Cl)Cl N5055
CC(=O)c1ccccc1OCc2cnc(s2)Cl N5056
COC(=O)C1CCN(CC1)CC#N N5057
c1cc(cc(c1)Cl)COc2ccc(cc2)C=O N5058
c1cc(ccc1C=O)OCc2ccc(cc2Cl)Cl N5059
c1cc(ccc1COc2ccc(cc2)C=O)Br N5060
c1cc(ccc1/C=C/C(=O)O)OCCCF N5061
Cc1ccccc1COc2ccc(cc2)C=O N5062
c1cc(ccc1CO)OCc2ccc(cc2Cl)Cl N5063
c1cc(ccc1CO)OCc2ccc(cc2)Br N5064
c1cc(ccc1CO)OCCCF N5065
Cc1c(c(no1)c2ccccc2Cl)C(=O)OC N5066
c1c(cc(c(c1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F N5067
CN(C)/C=C(\C#N)/c1ccccc1 N5068
c1cc(nc(c1)Cl)NNC(=O)N N5069
c1ccc(cc1)c2cnc3ncnn3c2N N5070
c1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])C=O)Cl N5071
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc2ccc(cc2)Cl N5072
c1cc(cc(c1)Oc2ccc(cc2[N+](=O)[O-])C=O)C(F)(F)F N5073
CN(C)/C=C(\C#N)/c1ccc(cc1)F N5074
CN(C)/C=C(\C#N)/c1ccc(cc1)OC N5075
c1cnc2ncnn2c1N N5076
c1cc(cc(c1)Cl)Oc2ccc(cc2[N+](=O)[O-])C=O N5077
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc2ccc(cc2)F N5078
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc2cccc(c2)C(F)(F)F N5079
CC(=O)c1ccc(cc1)CCCl N5080
c1cc(c(cc1Cl)Cl)n2c(c(nn2)C(=O)O)CC(=O)O N5081
c1ccc(c(c1)C(C#N)c2ccc(nn2)Cl)F N5082
Cn1cc(cc1C(=O)OC)C(=O)c2ccc(cc2Cl)Cl N5083
COC(=O)c1c(cc(=O)n(n1)c2ccccc2)Cl N5084
C=CCn1cccc(c1=O)C(=O)O N5085
c1c(c(=O)[nH]c(=O)n1N2CCCCC2)C#N N5086
c1ccc-2c(c1)CCc3c2nc(nc3)N N5087
CCOC(=O)CNc1ccccc1C#N N5088
CCOC(=O)c1c(c2ccccc2[nH]1)N N5089
c1ccc(cc1)C(=O)NCC(=O)Nc2ccc(cc2)N N5090
c1ccc(cc1)C(=O)NCC(=O)NCCO N5091
Cc1cccc(c1NC(=O)CBr)C N5092
CCOC(=O)c1c(nc(s1)c2cccc(c2)C(F)(F)F)C N5093
c1cnccc1c2nc(cs2)C(=O)O N5094
c1ccc(c(c1)N)Sc2c(cccn2)[N+](=O)[O-] N5095
c1ccc(cc1)c2nc(c(s2)C(=O)O)C(F)(F)F N5096
c1cc(c(cc1C(=O)O)[N+](=O)[O-])n2ccnc2 N5097
COC(=O)c1c2c(sc1N)CN(CC2)c3c(cc(cn3)C(F)(F)F)Cl N5098
c1ccc(c(c1)CO[NH3+])Br.[Cl-] N5099
c1cc(c(cc1F)Cl)CO[NH3+].[Cl-] N5100
c1cc(c(c(c1)Cl)Cl)CO[NH3+].[Cl-] N5101
c1cc(c(cc1Cl)CO[NH3+])Cl.[Cl-] N5102
c1ccc(c(c1)CO[NH3+])C(F)(F)F.[Cl-] N5103
COc1ccccc1CO[NH3+].[Cl-] N5104
CCOC(=O)/C(=N\O)/C(=O)C N5105
COC(=O)C1CCN(CC1)c2c(cc(cn2)C(F)(F)F)Cl N5106
c1c(cnc(c1Cl)N2CCC(CC2)C(=O)NN)C(F)(F)F N5107
c1cc(n(c1)c2c(cc(cn2)C(F)(F)F)Cl)C=O N5108
c1cc(ccc1CSc2ccc(cc2)Cl)N N5109
c1ccc(cc1)SCc2ccc(cc2)N N5110
COc1cc(ccc1OCc2ccc(cc2)F)C=O N5111
c1ccc2c(c1)ccc(c2C=O)OCc3ccc(cc3Cl)Cl N5112
CCOC(=O)C1=NOC(C1)COc2ccc3ccccc3c2C=O N5113
CCOC(=O)C1=NOC(C1)CNC(=O)c2c(onc2c3ccccc3Cl)C N5114
COc1cnc(nc1O)c2ccccn2 N5115
COc1cnc(nc1Cl)c2ccccn2 N5116
c1ccc(cc1)c2nc(cc(n2)Cl)Cl N5117
c1cc(ccc1C(=O)O)N2CCN=C2S N5118
CCOC(=O)CNC(=S)NNc1c(cc(cn1)C(F)(F)F)Cl N5119
CCOC(=O)CNC(=S)Nc1ccc(cc1)Cl N5120
CCOC(=O)CNC(=S)Nc1ccc(cc1)C(F)(F)F N5121
CC(c1ccnc2n1nc(n2)N)Oc3ccc(cc3)C(C)(C)C N5122
CC(c1ccnc2n1nc(n2)N)Oc3ccccc3 N5123
Cc1ccc(cc1)OC(C)c2ccnc3n2nc(n3)N N5124
c1cc(ccc1C(C#N)Br)[N+](=O)[O-] N5125
CC(c1ccnc2n1nc(n2)N)Oc3c(cccc3Cl)Cl N5126
CC(c1ccnc2n1nc(n2)N)Oc3cccc(c3)Cl N5127
CC1(OC(=O)C(=COC)C(=O)O1)C N5128
CC1(OC(=O)C(=CN)C(=O)O1)C N5129
Cc1ccc(cc1)SCc2c(c(n(n2)C)Cl)C=O N5130
Cc1ccc(cc1)SCc2c(c(n(n2)C)Sc3ccc(cc3)Br)C=O N5131
CN(CCO)c1cnn(c(=O)c1Cl)c2ccc(cc2)OC N5132
c1cc(cc(c1)Cl)n2c(=O)c(c(cn2)N3CCNCC3)Cl N5133
CCOC(=O)CNC(=O)c1cccs1 N5134
CCOC(=O)CNC(=O)c1c(cccc1Cl)Cl N5135
CCOC(=O)CNC(=O)c1ccccc1F N5136
CCOC(=O)CNC(=O)c1ccco1 N5137
CCOC(=O)CNC(=O)c1ccccc1Cl N5138
CCOC(=O)CNC(=O)c1ccc(cc1)OC N5139
CCOC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-] N5140
CCOC(=O)CNC(=O)c1ccc(cc1)C N5141
CCOC(=O)CNC(=O)c1c(onc1c2c(cccc2Cl)Cl)C N5142
CC(=O)c1c(nn(c1Cl)C)c2ccccc2 N5143
CC(=O)c1cc(no1)c2ccccc2 N5144
CC(C)(CCl)C(=O)Nc1cccc(c1)Br N5145
CCOC(=O)C1C(C1C(=O)NN)C(=O)Nc2ccccc2 N5146
CCOC(=O)Cc1c(cccn1)C(=O)Nc2ccc(cc2)F N5147
CCOC(=O)Cc1c(cccn1)C(=O)Nc2cccc(c2)C(F)(F)F N5148
CCOC(=O)Cc1c(cccn1)C(=O)Nc2ccc(cc2)OC(F)(F)F N5149
CCOC(=O)Cc1c(cccn1)C(=O)Nc2ccc(cc2)OC N5150
CC1=C(CCC(=O)N1)C#N N5151
CCOC(=O)C1=C(NC(=O)CC1)C(F)(F)F N5152
Cc1cc(c(cc1Cl)F)C(=O)C N5153
COC(=O)c1ccccc1OCc2cnc(s2)Cl N5154
c1ccc(c(c1)C=O)Oc2ccc(c(c2)F)F N5155
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(cc2)F N5156
c1ccc(c(c1)/C=C/C(=O)O)Oc2cccc(c2)Cl N5157
Cc1cc(cc(c1)Oc2ccccc2/C=C/C(=O)O)C N5158
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(c(c2)F)F N5159
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(c(c2)F)Cl N5160
c1ccc(cc1)COc2ccc(cc2)Oc3ccccc3/C=C/C(=O)O N5161
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(cc2F)Br N5162
Cc1ccc(c(c1)C)Oc2ccc(cc2)C#N N5163
c1cc(c(c(c1)Cl)COc2ccc(cc2)/C=C/C(=O)O)F N5164
Cc1ccc(n1c2ccccc2N)C N5165
CC(=O)c1ccc(cc1)OCc2c(cccc2Cl)F N5166
CCOC(=O)C1Cc2c3ccccc3ccc2O1 N5167
c1cc(ccc1S(=O)(=O)N2CCC(CC2)C(=O)NN)Cl N5168
COc1cccc(c1OCC(=O)O)C=O N5169
Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)OC N5170
COc1ccc(cc1)NC(=O)CC#N N5171
c1cc(c(cc1NC(=O)CC#N)Cl)Cl N5172
COc1ccc(cc1)c2cnc3nc(nn3c2N)SC N5173
CSc1nc2ncc(c(n2n1)N)c3ccc(cc3)F N5174
c1cc(ccc1S(=O)(=O)CC(=O)O)Cl N5175
c1ccc(cc1)c2c(n3ccsc3n2)C=O N5176
CCOC(=O)c1cc(c(=O)oc1c2ccccc2)NC(=O)c3ccccc3 N5177
Cn1cccc1C(=O)NN N5178
COC(=O)c1c(cc(=O)n(n1)c2cccc(c2)C(F)(F)F)Cl N5179
COc1ccc(cc1)n2c(=O)cc(c(n2)C(=O)OC)O N5180
c1ccc2c(c1)c(c[nH]2)c3ccc(nn3)Cl N5181
COc1ccc(cc1)n2c(=O)cc(c(n2)C(=O)OC)Cl N5182
CCOC(=O)C(=O)Nc1ccc(cc1)F N5183
c1cc(ccc1NC(=O)C(=O)NN)F N5184
COc1ccc(cc1)NC(=O)C(=O)NN N5185
c1cc(cc(c1)NC(=O)C(=O)NN)C(F)(F)F N5186
Cn1c(c(c(n1)C(F)(F)F)C(=O)O)Cl N5188
Cn1c(c(c(n1)C(F)(F)F)C=O)Sc2ccc(cc2)Cl N5189
Cn1c(c(c(n1)C(F)(F)F)C=O)SCc2ccccc2Cl N5190
CCOC(=O)c1cc([nH]c1N2CCCC2)c3ccccc3 N5191
COc1ccc(cc1)C(=O)NCC(=O)NCCO N5192
CCOC(=O)/C=C(\N)/N1CCN(CC1)c2ccccc2 N5193
c1c(c(=O)[nH]c(=O)n1N2CCOCC2)C#N N5194
c1c(c(=O)nc2n1CCO2)C#N N5195
CCOC(=O)/C=C(\N)/N1CCN(CC1)c2ccc(cc2)OC N5196
COc1ccc(cc1)N2CCN(CC2)C(=N)CC#N N5197
CCOC(=O)c1cc(c(nc1C)C)C(=O)OCC N5198
c1ccc(cc1)N2CCN(CC2)C(=N)CC#N N5199
CCOC(=O)c1c(c[nH]c1N)c2ccccc2 N5200
CN(C)/C=C(\C#N)/c1cccc(c1)C(F)(F)F N5201
CCOC(=O)c1c(nc(s1)c2cccnc2)C N5202
Cc1c(sc(n1)c2ccccn2)C(=O)O N5203
CN(C)c1nc(cc(n1)O)O N5204
CN(C)c1nc(cc(n1)Cl)Cl N5205
Cc1ccc(cc1)c2nc(c(s2)C(=O)O)C N5206
CCOC(=O)c1c(nc(s1)c2ccccc2Cl)C N5207
CN(C)c1nc(cc(n1)Cl)OC N5208
CCOC(=O)c1csc(n1)c2ccc(cc2)C N5209
Cc1ccc(cc1)c2nc(cs2)C(=O)O N5210
CCOC(=O)c1c(nc(s1)c2ccc(c(c2)OC)OC)C N5211
CCOC(=O)c1csc(n1)c2ccc(c(c2)OC)OC N5212
CCOC(=O)/C=C(\[NH3+])/Nc1ccc(cc1)OC(F)(F)F.[Cl-] N5213
CCOC(=O)/C(=N\OCc1ccc(cc1Cl)Cl)/C(=O)C N5214
CCOC(=O)c1c(c(on1)C)C(=O)Nc2c(cc(cn2)C(F)(F)F)Cl N5215
Cc1c(c(no1)C(=O)NN)C(=O)Nc2c(cc(cn2)C(F)(F)F)Cl N5216
C1COCCN1/C(=C/C#N)/N N5217
CCOC(=O)c1c(con1)C(=O)c2ccc(cc2)C N5218
c1ccc(cc1)c2c(snn2)Cl N5219
c1cc(cc(c1)SCc2ccc(cc2)N)C(F)(F)F N5220
Cc1c(nc(s1)c2ccncc2)O N5221
Cc1c(nc(s1)c2cccnc2)O N5222
Cc1c(nc(s1)c2ccccn2)O N5223
c1cc(ccc1Cn2cc(c(=O)[nH]c2=O)C#N)Cl N5224
COCCCn1cc(c(=O)[nH]c1=O)C#N N5225
COc1ccc(cc1OC)CCn2cc(c(=O)[nH]c2=O)C#N N5226
CN(c1c(cc(cn1)C(F)(F)F)Cl)n2cc(c(=O)[nH]c2=O)C#N N5227
c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)C=O N5228
CCOC(=O)CNC(=O)c1ccc(cc1)Cl N5229
CC1C(=O)Nc2ccccc2N1 N5230
c1cc(c(nc1)N2CCN(CC2)c3c(cc(cn3)C(F)(F)F)Cl)[NH3+].[Cl-] N5231
c1cc(c(cc1C(F)(F)F)[NH3+])NCCNc2c(cc(cn2)C(F)(F)F)Cl.[Cl-] N5232
c1c(cnc(c1Cl)OC/C=C\CO)C(F)(F)F N5233
c1ccc(c(c1)[NH3+])NCCNc2c(cc(cn2)C(F)(F)F)Cl.[Cl-] N5234
c1cc(ccc1C(=O)O)N2CCN=C2Sc3ccc(cc3)[N+](=O)[O-] N5235
CCOC(=C(C#N)C#N)C N5236
CN(C)/C=C/C(=C(C#N)C#N)OC N5237
COc1ccnc(c1C#N)N N5238
CCOC(=O)CNC(=S)Nc1ccc(cc1)F N5239
c1c(cn2c(c1Cl)nnc2N)C(F)(F)F N5240
CN(C)/C=C/C(=C(C#N)C#N)N(C)C N5241
Cc1cc(c(c(=O)[nH]1)C#N)C(F)(F)F N5242
Cn1c(c(c(n1)c2ccccc2)C=O)Cl N5243
Cn1c(c(c(n1)c2ccccc2)CO)Cl N5244
Cn1c(c(c(n1)c2ccccc2)CCl)Cl N5245
Cc1c(c(ns1)Sc2c(cc(cn2)C(F)(F)F)Cl)C#N N5246
c1cc(c(nc1)Cl)CO N5247
Cc1ccc(cc1)Sc2c(cccn2)C=O N5248
C=CCn1cc(c(=O)[nH]c1=O)C#N N5249
Cn1c(=O)c(cn(c1=O)CC=C)C#N N5250
CN(CCO)c1cnn(c(=O)c1Cl)c2c(cc(cn2)C(F)(F)F)Cl N5251
c1c(cnc(c1Cl)n2c(=O)c(c(cn2)N3CCNCC3)Cl)C(F)(F)F N5252
CCOC(=O)C1=NOC(C1)Cn2cc(c(=O)n(c2=O)C)C#N N5253
COC(=O)C(C(=O)OC)Oc1ccc(cc1)Cl N5254
CCOC(=O)CNC(=O)Cc1ccccc1 N5255
c1cc(ncc1[N+](=O)[O-])S N5256
Cn1c2c(cc(s2)CO)c(n1)C(F)(F)F N5257
Cn1c2c(cc(s2)CBr)c(n1)C(F)(F)F N5258
c1ccc2cc(ccc2c1)c3c[nH]c(c3C#N)N N5259
CCOC(=O)c1c(c[nH]c1N)c2ccc3ccccc3c2 N5260
CCOC(=O)C(=O)Nc1ccccc1C(=O)c2ccccc2 N5261
CCOC(=O)c1c(c2ccccc2[nH]1)c3ccccc3 N5262
c1ccc(cc1)c2c3ccccc3[nH]c2C(=O)O N5263
c1ccc(cc1)c2c3ccccc3[nH]c2C(=O)NN N5264
Cn1c2ccccc2cc1O N5265
Cc1ccc(cc1)Sc2c(c3cc(ccc3n2C)[N+](=O)[O-])C=O N5266
Cc1cc(c(cc1Cl)F)C(=O)CBr N5267
c1ccc(c(c1)/C=N/O)Oc2cccc(c2)Cl N5268
Cc1cc(cc(c1)Oc2ccccc2/C=N/O)C N5269
c1ccc(c(c1)/C=N/O)Oc2ccc(cc2Cl)Cl N5270
c1ccc(c(c1)/C=N/O)Oc2ccc(cc2)F N5271
c1ccc(c(c1)/C=C/C(=O)O)Oc2ccc(cc2)I N5272
c1ccc(c(c1)/C=C/C(=O)O)Oc2cccc(c2)C(F)(F)F N5273
c1ccc(c(c1)CO)Oc2ccc(cc2Cl)Cl N5274
c1ccc(cc1)COc2ccc(cc2)Oc3ccccc3CO N5275
CC(=O)c1ccc(cc1)OCCCF N5276
CC(=O)c1ccc(cc1)OCc2ccc(cc2Cl)Cl N5277
c1cc(oc1)CNC(=O)C2CC=CCC2C(=O)O N5278
Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)NN N5279
c1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)NN N5280
c1cc(nc(c1)Cl)NN N5281
Cc1c(c(ns1)SC)C#N N5282
CN(C)/C=C/c1c(c(ns1)SC)C#N N5283
CN(C)/C=C(\C#N)/c1ccc(cc1)Cl N5284
CSc1nc2ncc(c(n2n1)N)C(=O)O N5285
CCOC(=O)c1c(c2c(snc2s1)C)N N5286
c1ccc(c(c1)Oc2ccc(cc2[N+](=O)[O-])C=O)Cl N5287
c1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])/C=C/C(=O)O)Cl N5288
c1cc(cc(c1)Cl)Oc2ccc(cc2[N+](=O)[O-])/C=C/C(=O)O N5289
c1cc(c(c(c1)Cl)CSc2nc([nH]n2)N)Cl N5290
CCOC(=O)C(=C(c1ccccc1)c2ccccc2)CC(=O)O N5291
CC(C)(C#N)N1CCN(CC1)c2ccccc2 N5292
c1cc(ccc1c2c(n3ccsc3n2)C=O)Cl N5293
CCOC(=O)Cc1c(cccn1)C(=O)O N5294
Cc1c(cc(c(=O)o1)NC(=O)c2ccc(cc2)Cl)C(=O)OC N5295
c1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)O N5296
CCOC(=O)c1cc(c(=O)oc1c2ccccc2)NC(=O)c3ccc(cc3)OC N5297
COC(=O)c1c(cc(=O)n(n1)c2ccccc2)Oc3ccccc3 N5298
c1cc(ccc1NC(=O)C(=O)NN)OC(F)(F)F N5299
CCOC(=O)C(=O)Nc1ccccc1 N5300
c1ccc(cc1)NC(=O)C(=O)NN N5301
COC(=O)c1c(cc(=O)n(n1)c2ccc(cc2)Cl)Cl N5302
Cc1c(c(no1)c2ccccc2)C(=O)NN N5303
CC1(OC(=O)C(=C(Cn2cncn2)N)C(=O)O1)C N5304
c1ccc(c(c1)C(C#N)c2ccc(nn2)Cl)Br N5305
c1cc(c(nc1)NN)[N+](=O)[O-] N5306
Cn1c(c(c(n1)C(F)(F)F)C=O)SCc2ccc(cc2)Cl N5307
Cn1c(c(c(n1)C(F)(F)F)C=O)Sc2ccccc2C(=O)OC N5308
CC(C)(C)c1ccc(cc1)CSc2c(c(nn2C)C(F)(F)F)C=O N5309
CCOC(=O)c1c(c[nH]c1N)c2ccc(cc2)Cl N5310
CCOC(=O)c1c(cn2c1nc(cc2C)C)c3ccc(cc3)Cl N5311
CCOC(=O)/C=C(\N)/N1CCN(CC1)c2c(cccc2C)C N5312
CCOC(=O)/C=C(\N)/N1CCN(CC1)c2cccc(c2)Cl N5313
CN1C(CC(O1)CO)c2ccccc2 N5314
CCOC(=O)c1cc([nH]c1N2CCCCC2)c3ccc(cc3)[N+](=O)[O-] N5315
CCOC(=O)/C=C(\N)/N1CCN(CC1)c2ccc(cc2)[N+](=O)[O-] N5316
CCOC(=O)/C=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl N5317
c1ccc(cc1)OCCO[NH3+].[Cl-] N5318
c1cc(ccc1CO[NH3+])F.[Cl-] N5319
c1cc(cc(c1)OCCBr)C(F)(F)F N5320
c1ccc(cc1)C(C#N)c2c(cc(cn2)C(F)(F)F)Cl N5322
c1cc(c(c(c1)Cl)C(C#N)c2c(cc(cn2)C(F)(F)F)Cl)Cl N5323
c1cc(ccc1C(C#N)c2c(cc(cn2)C(F)(F)F)Cl)Cl N5324
COc1ccc(cc1)C(C#N)c2c(cc(cn2)C(F)(F)F)Cl N5325
c1cc(ccc1C(C#N)c2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-] N5326
COc1ccc(cc1OC)C(C#N)c2c(cc(cn2)C(F)(F)F)Cl N5327
CCOC(=O)c1csc(n1)c2cccs2 N5328
c1cc(sc1)c2nc(cs2)C(=O)O N5329
CCOC(=O)c1c(nc(s1)c2cccs2)C N5330
Cc1c(sc(n1)c2cccs2)C(=O)O N5331
CCOC(=O)c1c(con1)C(=O)c2ccc(cc2)Br N5332
COC(=O)C(=NO)C(=O)OC N5333
CCOC(=O)c1c(c(on1)C)C(=O)Nc2nccs2 N5334
Cc1c(c(no1)CO)C(=O)Nc2nccs2 N5335
c1cc(cc(c1)OCCBr)C=O N5336
c1c(cnc(c1Cl)NCCn2cc(c(=O)[nH]c2=O)C#N)C(F)(F)F N5337
c1cc(ccc1COCCO)Cl N5338
c1cc(ccc1CNCCNc2c(cc(cn2)C(F)(F)F)Cl)Cl N5339
c1cc(c(cc1Cl)Cl)c2c(snn2)Cl N5340
c1cc(ccc1c2c(snn2)Cl)Cl N5341
Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O N5342
c1cc(ccc1c2c(snn2)Cl)F N5343
c1ccc(cc1)c2c(snn2)S N5344
c1cc(c(cc1Cl)Cl)c2c(snn2)S N5345
c1cc(ccc1c2c(snn2)S)Cl N5346
c1ccc(cc1)NC(=O)CSCC(=O)O N5347
Cc1ccc(cc1)NC(=O)CSCC(=O)O N5348
c1cc(c(cc1NC(=O)CSCC(=O)O)Cl)Cl N5349
c1cc(c(cc1Cl)Cl)NC(=O)CSCC(=O)O N5350
COc1ccc(cc1OC)NC(=O)CSCC(=O)O N5351
COC(=O)CCCNc1c(cc(cn1)C(F)(F)F)Cl N5352
c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)C#N N5353
c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)/C=C/C(=O)O N5354
CNC(=S)/C(=C(\N)/N1CCN(CC1)c2ccc(cc2)OC)/C#N N5355
CNC(=S)/C(=C(\N)/N1CCN(CC1)c2ccccn2)/C#N N5356
CNc1c(c(ns1)N2CCN(CC2)c3ccc(cc3)OC)C#N N5357
c1cc(ccc1C(=O)N2CC(CC2C(=O)O)O)F N5358
c1c(cnc(c1Cl)NCC2CC(=NO2)CO)C(F)(F)F N5359
COc1cnc(nc1O)S N5360
CC1COc2ccccc2N1 N5361
c1ccc(cc1)n2ccnc2S N5362
COC(=O)C1CSC(N1)C(=O)OC N5363
COC(=O)C1CSC(N1C(=O)CCl)C(=O)OC N5364
Cc1ccc(cc1)Sc2c(c(nn2C)c3ccccc3)C=O N5365
Cc1ccc(cc1)Sc2c(c(nn2C)c3ccccc3)CO N5366
Cc1ccc(cc1)Oc2c(c(nn2C)c3ccccc3)CO N5367
Cn1c(c(c(n1)c2ccccc2)CO)Sc3ccccc3C(=O)OC N5368
c1ccc(cc1)c2c(nc([nH]2)S)c3ccccc3 N5369
Cc1ccc(cc1)Sc2c(cccn2)CO N5370
c1cc(c(nc1)Sc2ccc(cc2)Cl)C=O N5371
c1cc(c(nc1)Sc2ccc(cc2Cl)Cl)C=O N5372
c1cc(c(nc1)Sc2ccc(cc2)Br)C=O N5373
c1ccc(c(c1)Sc2c(cccn2)C=O)Cl N5374
c1cc(c(nc1)Sc2ccc(cc2)Br)CO N5375
c1ccc(c(c1)Sc2c(cccn2)CO)Cl N5376
c1cc(c(nc1)Sc2ccc(cc2)Cl)CO N5377
Cn1c(c(c(n1)CSc2ccccc2)C=O)Cl N5378
Cn1c(c(c(n1)CSc2ccc(cc2)Cl)C=O)Cl N5379
Cn1c(c(c(n1)CSc2ccc(cc2)Cl)CO)Cl N5380
Cc1ccc(cc1)SCc2c(c(n(n2)C)Cl)CO N5381
C(CO[NH3+])[NH3+].[Cl-].[Cl-] N5382
c1cc(nnc1N2CCC(CC2)C(=O)NN)Cl N5383
c1cc(ccc1N2CCc3c(sc(c3C#N)N)C2)[N+](=O)[O-] N5384
c1cc(nc(c1)F)N2CCc3c(sc(c3C#N)N)C2 N5385
CC(=O)c1cn(c(=O)[nH]c1=O)c2cccnc2Cl N5386
c1ccc2c(c1)C(=O)C(=O)N2Cc3c(cccc3Cl)Cl N5387
CC(C)n1cc(c(=O)c2c1cccc2)C(=O)O N5388
c1cc(c2ncc(n2c1)c3ccc(cc3)Cl)N N5389
Cc1ccc(cc1)CN2C(=C(CCC2=O)C#N)C N5390
c1cc(c2ncc(n2c1)c3ccc(c(c3)Cl)Cl)N N5391
CCOC(=O)C1C2C1C(=O)N(C2=O)c3cccc(c3)C(F)(F)F N5392
CCOC(=O)C1C2C1C(=O)N(C2=O)c3ccc(cc3)Cl N5393
CCOC(=O)C1C(C1C(=O)NN)C(=O)Nc2cccc(c2)C(F)(F)F N5394
CCOC(=O)C1C(C1C(=O)NN)C(=O)Nc2ccc(cc2)Cl N5395
CCOC(=O)C1C(C1C(=O)OCC)C(=O)Nc2cccc(c2)C(F)(F)F N5396
CN(c1c(cc(cn1)C(F)(F)F)Cl)NC(=O)c2cnccc2C(=O)OC N5397
CCOC(=O)C1C(C1C(=O)NC(C)C)C(=O)Nc2cccc(c2)C(F)(F)F N5398
Cn1c2ccc(cc2c(c1Sc3ccc(cc3)Br)C=O)[N+](=O)[O-] N5399
CC(C)c1ccc(cc1)Sc2c(c3cc(ccc3n2C)[N+](=O)[O-])C=O N5400
Cn1c2ccccc2c(c1Sc3ccc(cc3)Br)C=O N5401
Cn1c2ccccc2c(c1Sc3ccc(cc3)Cl)C=O N5402
Cc1ccc(cc1)Sc2c(c3ccccc3n2C)C=O N5403
Cc1ccc(cc1)Oc2c(c3ccccc3n2C)C=O N5404
Cn1c2ccccc2c(c1Sc3c(cccc3Cl)Cl)C=O N5405
Cn1c2ccccc2c(c1Sc3ccccc3Cl)C=O N5406
Cn1c2ccccc2c(c1Sc3cccc(c3)C(F)(F)F)C=O N5407
Cn1c2ccccc2c(c1SCc3ccc(cc3)Cl)C=O N5408
Cn1c2ccccc2c(c1Oc3ccc(cc3)Cl)C=O N5409
Cn1c2ccccc2c(c1Oc3ccc(cc3)OC)C=O N5410
Cn1c2ccccc2c(c1Oc3ccc(cc3)F)C=O N5411
Cn1c2ccccc2c(c1Oc3cccc(c3)C(F)(F)F)C=O N5412
Cn1c2ccccc2c(c1Oc3ccccc3)C=O N5413
Cc1cccc(c1C)Oc2c(c3ccccc3n2C)C=O N5414
Cc1cccc(c1)Oc2c(c3ccccc3n2C)C=O N5415
Cn1c2ccccc2c(c1Oc3ccc(cc3F)F)C=O N5416
Cn1c2ccccc2c(c1Oc3cc(c(cc3Cl)Cl)Cl)C=O N5417
Cc1ccc(c(c1)[N+](=O)[O-])Oc2c(c3ccccc3n2C)C=O N5418
c1cc(ccc1C(=O)CC(=O)C(F)(F)F)Cl N5419
CCOC(=O)C(=O)CC(=O)c1ccc(cc1)Cl N5420
Cc1ccc(cc1)S(=O)(=O)Oc2ccsc2C(=O)OC N5421
CC(c1ccc(cc1)OCc2ccc(cc2Cl)Cl)O N5422
c1cnccc1c2nccc(n2)N N5423
CN(CCO)c1c(cc(cn1)C(F)(F)F)Cl N5424
COc1ccccc1NC(=O)C2CC=CCC2C(=O)O N5425
c1(nnc(n1N)N)N N5426
CCOC(=O)c1c(c(nnc1C(=O)OCC)c2ccccc2)c3ccccc3 N5427
c1cc(cnc1)c2nccc(n2)N N5428
c1cc(ccc1C(=O)NNC(=O)C2CC=CCC2C(=O)O)Cl N5429
c1ccc(cc1)c2c(c(nnc2c3ccccc3)C(=O)O)C(=O)O N5430
c1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)O N5431
Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)OC N5432
COC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl N5433
COC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)F N5434
COC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2 N5435
COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)OC N5436
CCOC(=O)COc1c(cccc1OC)/C=N/OC N5437
CCOC(=O)COc1c(cc(cc1OC)Br)/C=N\OC N5438
CCOC(=O)COc1c(cc(cc1OC)Cl)C=O N5439
CCOC(=O)COc1c(cc(cc1OC)Cl)/C=N\O N5440
Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)OC N5441
CN(C)/C=C/c1c(c(no1)c2c(cccc2Cl)F)C(=O)OC N5442
c1cc(c(cc1Cl)Cl)OCC(=C(C#N)C#N)N N5443
COC(=O)CSc1c2ccccc2c(nn1)Cc3ccccc3 N5444
c1ccnc(c1)c2nc(cc(n2)S)C(F)(F)F N5445
c1cc(ccc1n2cc(nn2)CO)Cl N5446
Cn1c(c(c(n1)C(F)(F)F)C#N)Cl N5447
c1ccc(cc1)n2cc(nn2)CO N5448
COc1ccc(cc1)CO[NH3+].[Cl-] N5449
c1cc(c(cc1C(=O)NCC(=O)NCCO)Cl)Cl N5450
Cc1cccc(c1)C(=O)NCC(=O)NCCO N5451
c1cc(ccc1C(=O)NCC(=O)NCCO)F N5452
COc1cccc(c1)CO[NH3+].[Cl-] N5453
CCOC(=O)/C=C(\N)/NNC(=O)c1ccccc1 N5454
CCOC(=O)/C=C(\[NH3+])/Nc1ccc(cc1)Cl.[Cl-] N5455
CCOC(=O)/C=C(\[NH3+])/Nc1ccc(cc1)C.[Cl-] N5456
c1ccc(c(c1)CO[NH3+])F.[Cl-] N5457
c1cc(cc(c1)F)CO[NH3+].[Cl-] N5458
c1cc(cc(c1)OCCO[NH3+])C(F)(F)F.[Cl-] N5459
CCOC(=O)/C=C(\N)/NNC(=O)c1ccncc1 N5460
CCOC(=O)c1c(cn2c1nc(cc2C)C)c3ccccc3 N5461
COc1cccc2c1OCC(=C2)C(=O)O N5462
c1ccc2c(c1)C=C(CO2)C(=O)O N5463
Cn1c(c(c(n1)C(F)(F)F)C=O)Sc2cccc(c2)C(F)(F)F N5464
Cn1c(c(c(n1)C(F)(F)F)CO)Sc2ccccc2 N5465
Cn1c(c(c(n1)C(F)(F)F)CO)Sc2ccc(cc2)Cl N5466
Cn1c(c(c(n1)C(F)(F)F)CO)Sc2cccc(c2)C(F)(F)F N5467
Cn1c(c(c(n1)C(F)(F)F)C=O)Sc2ccc(cc2)Br N5468
Cn1c(c(c(n1)C(F)(F)F)CO)Sc2ccc(cc2)Br N5469
Cn1c(c(c(n1)C(F)(F)F)C=O)Sc2ccc(cc2)F N5470
Cn1c(c(c(n1)C(F)(F)F)CO)Sc2ccc(cc2)F N5471
Cn1c(c(c(n1)C(F)(F)F)C=O)Oc2ccc(cc2)Cl N5472
c1cc2c(cc1Cl)C=C(CO2)C(=O)O N5473
Cn1c(c(c(n1)C(F)(F)F)CO)Oc2ccc(cc2)Cl N5474
CCOC(=O)c1c(con1)C(=O)c2ccc(cc2)F N5475
COC(=O)/C=C/COc1ccc2ccccc2c1C=O N5476
c1ccc(c(c1)C#N)C(C#N)c2ccc(cc2)F N5477
Cn1c(cnc1S)C(=O)OC N5478
c1cc(cc(c1)NC(=O)CSCC(=O)O)C(F)(F)F N5479
c1cc(ccc1C(F)(F)F)NC(=O)CSCC(=O)O N5480
c1ccc(c(c1)NC(=O)CSCC(=O)O)Cl N5481
c1cc(ccc1CNC(=O)CSCC(=O)O)Cl N5482
COc1ccc(cc1)CNC(=O)CSCC(=O)O N5483
Cc1ccc(cc1)CNC(=O)CSCC(=O)O N5484
c1cc(ccc1N2CCN(CC2)C(=N)CC#N)F N5485
CNC(=S)/C(=C(\N)/N1CCOCC1)/C#N N5486
COC(=O)C1CC(CN1C(=O)c2ccc(cc2)F)O N5487
CNC(=S)/C(=C(\N)/N1CCN(CC1)c2ccc(cc2)F)/C#N N5488
Cn1c(cnc1SCc2ccc(cc2)F)CO N5489
CNc1c(c(ns1)N2CCOCC2)C#N N5490
Cn1c(cnc1SCc2c(cccc2Cl)Cl)CO N5491
Cn1c(cnc1Sc2c(cc(cn2)C(F)(F)F)Cl)CO N5492
Cn1c(cnc1SCc2c(snn2)Cl)CO N5493
Cn1c(cnc1SCC(=O)c2ccc(cc2)Cl)CO N5494
COc1ccc(cc1OC)CCn2c(cnc2S)CO N5495
CNC(=S)/C(=C(\N)/N1CCC(CC1)C(=O)OC)/C#N N5496
CNc1c(c(ns1)N2CCC(CC2)C(=O)OC)C#N N5497
COC(=O)c1ccccc1C(=O)N2CC(CO2)O N5498
C1C(CO[NH2+]1)O.[Cl-] N5499
Cn1c(cnc1SCCOc2cccc(c2)C(F)(F)F)CO N5500
Cn1c(cnc1SCCOc2ccc(cc2)OC)CO N5501
CN1C2c3c4ccccc4ccc3OCC2C(O1)C(=O)OC N5502
Cn1c(cnc1SCC(=O)c2ccc(cc2)F)CO N5503
c1ccc(cc1)COc2ccc3ccccc3c2C=O N5504
COC(=O)C1CC(CN1C(=O)Nc2cccc(c2)C(F)(F)F)O N5505
COC(=O)C1CC(CN1C(=O)Nc2ccc(c(c2)Cl)Cl)O N5506
CCOC(=O)CSc1c(cc(cn1)C(F)(F)F)Cl N5507
c1c(cnc(c1Cl)N/N=C(/CCC(=O)O)\C(=O)O)C(F)(F)F N5508
c1c(cnc(c1Cl)SCC(=O)O)C(F)(F)F N5509
CCOC(=O)/C(=C\N(C)C)/Sc1c(cc(cn1)C(F)(F)F)Cl N5510
c1c(cnc(c1Cl)SCC(=O)NN)C(F)(F)F N5511
c1cc(ccc1C(=O)c2ccc(s2)CC#N)Cl N5512
c1cnc(nc1)NC(=O)CCCCl N5513
c1cc(ccc1c2cc(c(=O)[nH]c2)C#N)Cl N5514
CC1(CO1)C(=O)Nc2ccc(cc2)Cl N5515
CC1(CO1)C(=O)Nc2cccc(c2)C(F)(F)F N5516
CC1(CO1)C(=O)Nc2ccc(cc2Cl)Cl N5517
COC(=O)C1CCN(CC1)c2ccc(nn2)Cl N5518
C=CCNC(=O)C1CCN(CC1)c2ccc(nn2)Cl N5519
c1ccc(cc1)S(=O)(=O)Cc2cc(ccc2[N+](=O)[O-])C=O N5520
Cn1c(c(c(n1)c2ccccc2)C=O)Sc3ccc(cc3)Cl N5521
Cn1c(c(c(n1)c2ccccc2)C=O)Sc3ccccc3 N5522
Cn1c(c(c(n1)c2ccccc2)C=O)Sc3ccc(cc3)Br N5523
Cn1c(c(c(n1)c2ccccc2)CO)Sc3ccc(cc3)Cl N5524
Cn1c(c(c(n1)c2ccccc2)CO)Sc3ccccc3Cl N5525
Cn1c(c(c(n1)c2ccccc2)CO)Sc3ccccc3 N5526
Cn1c(c(c(n1)c2ccccc2)CO)Sc3cccc(c3)C(F)(F)F N5527
c1ccc(cc1)C(=O)C(CC(=O)O)Br N5528
c1ccc(cc1)c2c(sc(n2)c3cccc