B(O/C(=C\C(=O)C)/c1ccc(cc1)C)(F)F A1208/0055659
B(O/C(=C\C(=O)c1ccc(cc1OC)OC)/c2ccc(cc2OC)OC)(F)F A1208/0055655
B(c1cc2ccccc2n1C(=O)OC(C)(C)C)(O)O A4137/0176383
B(c1cc2ccccc2n1C(=O)OC(C)(C)C)(O)O ZERO/004903
B(c1ccc2c(c1)OCCO2)(O)O ZERO/009684
B(c1ccn[nH]1)(O)O A4155/0177072
B(c1ccn[nH]1)(O)O ZERO/005940
B1(OC(C(O1)(C)C)(C)C)c2cc(nn2C)C ZERO/005164
B1(OC(C(O1)(C)C)(C)C)c2cccnc2F ZERO/008856
B1(OC(C(O1)(C)C)(C)C)c2ccnn2C ZERO/005567
B1(OC(C(O1)(C)C)(C)C)c2ccns2 A4155/0177078
B1(OC(C(O1)(C)C)(C)C)c2ccns2 ZERO/005969
B1(OC(C(O1)(C)C)(C)C)c2cn(nc2C)C ZERO/010112
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)C ZERO/010035
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)CCCN(C)C ZERO/010093
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2C)C ZERO/010068
B1(OC(CC(O1)P(c2ccccc2)c3ccccc3)C)c4ccccc4 A0929/0043490
B1(c2ccccc2CO1)O A1783/0075589
B12CC3CC(C1)CC(C2)C3.B12CC3CC(C1)CC(C2)C3.c1cnccc1c2ccncc2 A0433/0020071
B12CC3CC(C1)CC(C2)C3.CN(C)c1ccncc1 A0433/0020073
B12CC3CC(C1)CC(C2)C3.N A0434/0020080
B12CC3CC(C1)CC(C2)C3.c1c(cncc1Br)Br A0433/0020076
B12CC3CC(C1)CC(C2)C3.c1cc(cnc1)Br A0433/0020074
B12CC3CC(C1)CC(C2)C3.c1cnccc1C#N A0433/0020072
C#CC(=O)c1ccccc1 A4053/0172851
C#CC(=O)c1ccccc1 ZERO/004572
C#CC(CO)NCc1ccccc1 A0789/0036955
C#CC1(C=CC2COC1O2)O ZERO/009728
C#CC1(CCC2COC1O2)O A4395/0187607
C#CC1(CCCC1)O A3120/0132116
C#CC1(CCCC1)O ZERO/001857
C#CC1(CCCCC1)Cl ZERO/001836
C#CC1(CCCCC1)N A4191/0178549
C#CC1(CCCCC1)N ZERO/005504
C#CC1(CCCCCC1)O A3125/0132257
C#CC1(CCCCCC1)O ZERO/005528
C#CC1(CCN(CC1)Cc2ccccc2)O A3702/0156994
C#CC1(CCN(CC1)Cc2ccccc2)O ZERO/005593
C#CC1=CCCCC1 ZERO/008039
C#CC1CN(CC(N1Cc2ccccc2)C#C)C34CC5CC(C3)CC(C5)C4 A4020/0171492
C#CCCCCCCCCC(=O)N1CCOCC1 A2542/0108199
C#CCCCCCCCCC(=O)NCc1ccco1 A2678/0114106
C#CCCCOC(=O)C12CC3CC(C1)CC(C3)C2 A3234/0137293
C#CCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)/SC1=O A3509/0148676
C#CCN1C(=O)/C(=C\c2c(cccc2Cl)F)/SC1=O A3311/0140767
C#CCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=O A3311/0140765
C#CCN1C(=O)c2ccccc2N=C3N1Cc4c3cccc4 A3984/0169727
C#CCN1c2ccccc2C(=O)N(C1c3ccccc3Cl)/N=C/c4ccccc4Cl A3984/0169728
C#CCN1c2ccccc2C(=O)N3C1c4ccccc4C(=O)N3CC#C A3982/0169623
C#CCN1c2ccccc2C(C1=O)(CC(=O)c3ccccn3)O A2928/0123226
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5cc(cc(c5)Cl)Cl)n6cccc6)C#N A3923/0166918
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(c(c5)Cl)F)n6cccc6)C#N A3958/0168656
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5)F)n6cccc6)C#N A3882/0165039
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(cn5)Br)n6cccc6)C#N A3882/0165030
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5cccc(c5)Cl)n6cccc6)C#N A3882/0165044
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5cccc(c5)[N+](=O)[O-])n6cccc6)C#N A3882/0165046
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccccc5)n6cccc6)C#N A3882/0165037
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5cc(cc(c5)Cl)Cl)N)C#N A3883/0165069
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5ccc(c(c5)Cl)F)N)C#N A3884/0165105
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5ccc(cc5)F)N)C#N A3884/0165106
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5cccc(c5)C(F)(F)F)N)C#N A3884/0165100
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5cccc(c5)Cl)N)C#N A3888/0165294
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5cccc(c5)F)N)C#N A3883/0165096
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)c5ccccc5)N)C#N A3888/0165297
C#CCN1c2ccccc2C3(C1=O)C4C(C(N3)Cc5ccccc5)C(=O)N(C4=O)c6cccc(c6)Cl A3758/0159377
C#CCN1c2ccccc2C3(C1=O)OCCO3 A1964/0082638
C#CCN1c2ccccc2C3(C1=O)c4c(=O)[nH]c(nc4NC(=C3C#N)N)SCc5cccc(c5)F A3825/0162468
C#CCN1c2ccccc2C3(C1=O)c4c(=O)[nH]c(nc4NC(=C3C#N)N)SCc5ccccc5Cl A3805/0161495
C#CCO/N=C(/c1c(non1)N)\N A2518/0106993
C#CCOC(=O)/C(=C/c1ccc(cc1)F)/NC(=O)c2ccccc2 A1447/0063999
C#CCOC(=O)C(=C1CCCCC1)NC(=O)c2ccccc2 A2171/0091196
C#CCOC(=O)C(Cc1ccc(cc1)F)NC(=O)c2ccccc2 A2132/0089530
C#CCOC(=O)C1C2CC(C1C(=O)O)C=C2 A2165/0090947
C#CCOC(=O)CCC(=O)NCc1ccccc1 A0616/0028559
C#CCOC(=O)CCCC(=O)Nc1nc2ccccc2s1 A2215/0093254
C#CCOC(=O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)n2c3ccccc3nn2 A2064/0086809
C#CCOC(=O)c1ccccc1C(=O)N(C2CCCCC2)C3CCCCC3 A2165/0090945
C#CCOC(=O)c1ccccc1C(=O)Nc2ccc(cc2)Cl A0817/0038266
C#CCOC(=O)c1ccccc1C(=O)O A0747/0034880
C#CCOCNC(=S)N1CCOCC1 A3140/0132819
C#CCOc1c(cc(cc1I)I)/C=N/Nc2nc(nc(n2)N3CCOCC3)Nc4ccc(cc4)F A1578/0068692
C#CCOc1c(cc(cc1I)I)/C=N/n2c(nnn2)N A1806/0076302
C#CCOc1c(cc(cc1I)I)/C=N\NC(=O)Cn2c3ccccc3nc2c4c(non4)N A1559/0067929
C#CCOc1ccc(cc1)C2CC(=O)N(C(=O)C2)c3ccccn3 A4121/0175704
C#CCOc1ccc(cc1)C2CC(=O)Nc3c2cnn3Cc4ccc5c(c4)OCO5 A4382/0187137
C#CCOc1ccc(cc1)C2CC(=O)Nc3c2sc(c3c4ccc(cc4)F)C(=O)O A4347/0185414
C#CCOc1ccc(cc1)C2CC(=O)Nc3c2sc(c3c4ccccc4)C(=O)O A4406/0188048
C#CCOc1ccc(cc1)C2CC(=O)Nc3c2sc(n3)N A4340/0185069
C#CCOc1ccc(cc1)C2CC(=O)Nc3c2scc3 A4233/0180344
C#CCOc1ccc(cc1/C=N\NC(=S)NCc2ccco2)Br A3180/0134678
C#CCOc1ccc(cc1Br)/C=C/2\C(=O)N(C(=O)S2)CC(=O)Nc3ccccc3F A3069/0129751
C#CCOc1cccc(c1)C2CC(=O)Nc3c2sc(c3c4ccc(cc4)F)C(=O)O A4347/0185423
C#CCOc1cccc(c1)C2CC(=O)Nc3c2sc(c3c4ccccc4)C(=O)O A4406/0188053
C#CCOc1cccc(c1)C2CC(=O)Nc3c2scc3 A4233/0180355
C#CCOc1cccc(c1)C2CC(=O)Nc3c2scc3S(=O)(=O)c4ccc(cc4)Cl A4297/0183389
C#CCOc1ccccc1/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccccc2OCC#C A0313/0014328
C#CCOc1ccccc1/C=N/NC(=O)COc2ccc(cc2)Br A0506/0023497
C#CCOc1ccccc1/C=N/NC(=O)COc2ccccc2Br A0458/0021137
C#CCOc1ccccc1/C=N/NC(=O)c2ccccc2 A0584/0026960
C#CCOc1ccccc1C=O A3009/0126780
C#CCOc1nc(nc(n1)N2CCN(CC2)c3cccc(c3)Cl)Nc4ccc(cc4)Br A1825/0077072
C#CCOc1nc(nc(n1)N2CCOCC2)N3CCOCC3 A4167/0177561
C#CCOc1nc(nc(n1)OCC#C)N A4218/0179627
C#CCOc1nc(nc(n1)OCC#C)N2CCNCC2 A4218/0179628
C#CCOc1nc(nc(n1)OCC#C)NCCN A4202/0178855
C#CCSc1[nH]c(=O)n2c(n1)c(cn2)c3ccc(cc3)F A4409/0188138
C#CCSc1c(c(c(c(n1)N)C#N)c2ccc(cc2)O)C#N A2065/0086851
C#CCSc1c(c(c(c(n1)N)C#N)c2cccc(c2)Cl)C#N A2084/0087623
C#CCSc1c(c(cc(n1)c2cccs2)c3ccc(cc3)Cl)C#N A1331/0060178
C#CCSc1c(c(cc(n1)c2cccs2)c3ccc(cc3)F)C#N A1331/0060177
C#CCSc1c(c(cc(n1)c2cccs2)c3ccccc3)C#N A1331/0060176
C#CCSc1c(ccc(n1)c2cccs2)C#N A1281/0058534
C#CCSc1c2c([nH]cn2)ncn1 A0652/0030318
C#CCSc1nc(c2c(n1)OC(=C(C2c3cccc(c3)F)C#N)N)N A3742/0158588
C#CCSc1nc(c2c(n1)OC(=C(C2c3ccccc3)C#N)N)N A3748/0158848
C#CCSc1nc(c2c(n1)OC(=C(C2c3cccnc3)C#N)N)N A3748/0158850
C#CCSc1nnc(o1)c2ccccn2 A3686/0156366
C#CCSc1nnc(o1)c2ccncc2 A3494/0148158
C#CCSc1nnc2n1c(cc(n2)O)N A3367/0142956
C#CCSc1nnc2n1c3ccccc3[nH]2 A4403/0187971
C#CC[Se]c1[nH]c2ccccc2n1 A4210/0179217
C#CCn1c(=O)nc2n1C(=O)N(C2)c3ccccc3 A4379/0187000
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)Cc4ccc(cc4)F A4270/0182050
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)Cc4ccccc4 A4269/0181976
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)Cc4ccco4 A4270/0182051
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)c4ccc(cc4)Br A4291/0183054
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)c4ccc(cc4)Cl A4291/0183096
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)c4ccc(cc4)F A4291/0183082
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)c4cccc(c4)C(F)(F)F A4280/0182556
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)c4cccc(c4)Cl A4270/0182044
C#CCn1c2ccccc2nc1C3CC(=O)N(C3)c4ccccc4F A4289/0182965
C#CCn1c2ccccc2nc1C3CCCCC3 A4295/0183254
C#CCn1c2ccccc2nc1CCNC(=O)c3ccco3 A3856/0163768
C#CCn1c2ccccc2nc1CCc3ccccc3 A4295/0183257
C#CCn1c2ccccc2nc1CO A3560/0150985
C#CCn1c2ccccc2nc1COc3ccc(cc3Cl)Cl A4275/0182307
C#CCn1c2ccccc2nc1COc3ccc4ccccc4c3 A4276/0182321
C#CCn1c2ccccc2nc1COc3cccc4c3cccc4 A4275/0182310
C#CCn1c2ccccc2nc1Cc3ccc(cc3)Cl A4296/0183296
C#CCn1c2ccccc2nc1c3c(non3)N A1438/0063775
C#CCn1c2ccccc2nc1c3ccco3 A3720/0157628
C#CCn1c2ccccc2nc1c3cccs3 A3690/0156582
C#CCn1ncc(n1)[N+](=O)[O-] A2351/0099318
C#Cc1cccc(c1)N2C(=O)C=CC2=O A0968/0045233
C#Cc1cccc(c1)N2C(=O)c3c(c(c(c(c3Br)Br)Br)Br)C2=O A0968/0045228
C#Cc1cccc(c1)N2C(=O)c3cc4ccccc4c(c3C2=O)c5ccccc5 A0547/0025249
C#Cc1cccc(c1)N2C(=O)c3ccc(cc3C2=O)Oc4ccc(cc4)C(=O)O A0518/0023975
C#Cc1cccc(c1)N2C(=O)c3ccc(cc3C2=O)S(=O)(=O)c4ccc(cc4)C(=O)O A1055/0049463
C#Cc1cccc(c1)N2C(=O)c3ccc(cc3C2=O)c4nc5ccccc5c(=O)o4 A1590/0068975
C#Cc1cccc(c1)NC(=O)/C=C/c2ccccc2 A0650/0030208
C#Cc1cccc(c1)NC(=O)CN2C(=O)c3ccccc3C2=O A1833/0077276
C#Cc1cccc(c1)NC(=O)c2cc(cc(c2)N3C(=O)c4ccccc4C3=O)C(=O)Nc5cccc(c5)C#C A0086/0003621
C#Cc1cccc(c1)NC(=O)c2ccc(cc2)c3ccccc3 A2052/0086279
C#Cc1cccc(c1)NC(=O)c2ccc3c(c2)C(=O)N(C3=O)c4ccc(cc4)Oc5cccc(c5)Oc6ccc(cc6)N7C(=O)c8ccc(cc8C7=O)C(=O)Nc9cccc(c9)C#C A1809/0076457
C#Cc1cccc(c1)NC(=O)c2ccc3c(c2)C(=O)N(C3=O)c4cccc(n4)N5C(=O)c6ccc(cc6C5=O)C(=O)Nc7cccc(c7)C#C A1543/0067117
C#Cc1cccc(c1)NC(=O)c2cccc(c2)N3C(=O)c4ccc(cc4C3=O)C(=O)Nc5cccc(c5)C#C A0968/0045253
C(#CC#N)C#N ZERO/005579
C(#N)/C(=N\O)/C(=N\O)/Cl A2391/0101231
C(#N)/C(=N\O)/C(=N\O)/N A2452/0104009
C(#N)C(=N/C(=C(\N)/Cl)/C#N)C#N A4050/0172752
C(#N)C(=N/C(=C(\N)/Cl)/C#N)C#N ZERO/004567
C(#N)C(C#N)N=C(C#N)C#N A4059/0173014
C(#N)C(C#N)N=C(C#N)C#N ZERO/008392
C(#N)C(C(=O)N)N A2253/0094882
C(#N)C(C(=O)N)N ZERO/001728
C(#N)C1=C(OC(C1(C#N)C#N)C(Cl)(Cl)Cl)N A3247/0137937
C(#N)C1=C(SC(=C(S1)C#N)C#N)C#N A2895/0121936
C(#N)c1c([n+](on1)[O-])C#N A3907/0166155
C(#N)c1c([n+](on1)[O-])C#N ZERO/005370
C(#N)c1c([nH]nn1)Nc2c(non2)N A3849/0163526
C(#N)c1c([nH]nn1)Nc2c(non2)N ZERO/005338
C(#N)c1c(c([nH]c1N)Br)C#N A1681/0071732
C(#N)c1c(c(c(c(c1F)F)O)F)F A4266/0181877
C(#N)c1c(c2c(c(n1)Cl)sc(=O)s2)Cl A1666/0071004
C(#N)c1c(c2c(c(sc2s1)C#N)N)N A2842/0119920
C(#N)c1c(c2c(nc1N)nc(s2)N)N A4170/0177740
C(#N)c1c(c2c(nc1N)non2)N A3904/0166053
C(#N)c1c(c2c(nc1N)non2)N ZERO/005443
C(#N)c1c(n(nn1)c2c(non2)N)N A2844/0120017
C(#N)c1c(non1)/C(=N/O)/N A4109/0175229
C(#N)c1c(non1)/C(=N/O)/N ZERO/004686
C(#N)c1c(non1)/C(=N\N)/N A4028/0171726
C(#N)c1c(non1)/C(=N\N)/N ZERO/005776
C(#N)c1c(non1)C#N A3973/0169337
C(#N)c1c(non1)C#N ZERO/005633
C(#N)c1c(non1)N A1993/0083754
C(#N)c1c(non1)N ZERO/000731
C(#N)c1c(non1)c2[nH]nnn2 A4137/0176380
C(#N)c1c(non1)c2[nH]nnn2 ZERO/004898
C(#N)c1c(ssc1=S)N A3974/0169355
C(#N)c1c(ssc1=S)N ZERO/005655
C(#N)c1c2c(nc3c1sc(=O)s3)sc(=O)s2 A1789/0075816
C(/C(=N\N)/C(=N/N)/C(F)(F)F)(C(F)(F)F)C(F)(F)F A1379/0061730
C(/C=C/CC(C(=O)O)N)C(C(=O)O)N A2945/0124046
C(/C=C/CSc1nnc(s1)N)Sc2nnc(s2)N A2068/0086985
C(=C(/C(=O)[O-])\[NH3+])\C(=O)c1c(c(c(c(c1F)F)F)F)O A1915/0080495
C(=C([N+](=O)[O-])[N+](=O)[O-])(N)N A2578/0109982
C(=C([N+](=O)[O-])[N+](=O)[O-])(N)N ZERO/001524
C(=C1C(=O)NC(=O)NC1=O)NC(=S)N A0572/0026384
C(=N/O)(\C(=N\O)\N)/N A3990/0169984
C(=NO)(C(=O)N)C(=O)N A4123/0175823
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)NC(=O)N A1088/0051072
C(=O)N1C2C(NC(=N)N2)N(C3C1NC(=N)N3)C=O A0935/0043765
C(=O)Nc1c(non1)C(=O)N A2508/0106588
C(=O)c1c(nc([nH]c1=O)N)N A4192/0178573
C(=O)c1c(nc([nH]c1=O)N)N ZERO/008454
C(C#N)Sc1c2c(c(sc2sn1)C#N)N A1173/0054495
C(C#N)c1[nH]nnn1 A4200/0178768
C(C#N)c1[nH]nnn1 ZERO/008694
C(C#N)c1c(c([nH]n1)N)/C(=N/O)/N A0201/0008960
C(C#N)c1c(c([nH]n1)N)C#N A3123/0132203
C(C#N)c1c(c([nH]n1)N)C#N ZERO/005041
C(C#N)c1c(c(c(c(n1)N)C#N)N)C#N A4170/0177713
C(C#N)n1c(nc(n1)Cl)Cl A4417/0188537
C(C#N)n1c(nc(n1)Cl)Cl ZERO/009396
C(C#N)n1c(nc(n1)[N+](=O)[O-])Br A4417/0188536
C(C#N)n1c(nc(n1)[N+](=O)[O-])Br ZERO/009395
C(C(=O)N)(C(F)(F)F)C(F)(F)F A4243/0180846
C(C(=O)N)O/N=C(/c1c(non1)N)\N A2517/0106936
C(C(=O)N)Sc1c(c(sn1)SCC(=O)N)C#N A1183/0054757
C(C(=O)N)Sc1nnc(s1)N A2077/0087335
C(C(=O)N)Sc1nnc(s1)SCC(=O)N A0506/0023531
C(C(=O)N)[N+](=O)[O-] ZERO/000255
C(C(=O)NN)Sc1n[nH]c(=S)s1 A3535/0149770
C(C(=O)NN)[N+](=O)[O-] ZERO/008228
C(C(=O)NN)n1c(nnn1)N A4316/0184304
C(C(=O)NN)n1c(nnn1)N ZERO/006378
C(C(=O)Nc1c(non1)N)SCC(=O)Nc2c(non2)N A2074/0087195
C(C(=O)Nc1c(non1)N)Sc2[nH]nc(n2)N A2680/0114236
C(C(=O)Nc1c(non1)N)Sc2nnc(s2)N A2680/0114235
C(C(=O)Nc1c(non1)N=[N+]=[N-])Cl A2447/0103755
C(C(=O)O)N1C2C(NC(=O)N2)NC1=O A1966/0082668
C(C(=O)O)N1C2C(NC1=O)OC(O2)C3OC4C(O3)N(C(=O)N4)CC(=O)O A3434/0145741
C(C(=O)O)NC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F A0413/0019068
C(C(=O)O)NC=C1C(=O)NC(=S)NC1=O A0521/0024102
C(C(=O)O)SC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F A4206/0179013
C(C(=O)O)n1c(nnn1)N A2231/0093910
C(C(=O)O)n1c(nnn1)N ZERO/001482
C(C(=O)O)n1nc(nn1)N A3346/0142094
C(C(=O)O)n1nc(nn1)N ZERO/005079
C(C(=O)O)n1nc(nn1)O A2989/0125932
C(C(C(=O)O)C(C(F)(F)F)(C(F)(F)F)O)I A0612/0028329
C(C(C(=O)O)NC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)O A0869/0040763
C(C(C(=O)O)NC(=O)N)C(=O)N A3448/0146411
C(C(C(=O)O)NC(=O)N)O A2964/0124871
C(C(C(=O)[O-])NC(=O)C(C(C(C(C(=O)NC(CO)C(=O)[O-])(F)F)(F)F)(F)F)(F)F)O A0866/0040580
C(C(C(C(=O)NN)(NN)O)(F)F)(F)F A1221/0056310
C(C(C(F)(F)F)N)C(=O)O A4132/0176217
C(C(C(F)(F)F)S)N A1209/0055689
C(C(CCl)Cl)N1c2c(=O)ssc2Sc3c1c(=O)ss3 A1783/0075590
C(C(CCl)O)NS(=O)(=O)[O-] A3123/0132205
C(C(CCl)O)NS(=O)(=O)[O-] ZERO/005044
C(C([N+](=O)[O-])([N+](=O)[O-])Cl)Cl A3979/0169466
C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])Nc1c(non1)/N=[N+](/c2c(non2)NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])\[O-] A2396/0101454
C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])Nc1nc(nc(n1)NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] A2487/0105707
C(C/C=C\CCCC(=O)O)CC(=O)O A0506/0023532
C(C1(C(C1(C#N)C#N)(C#N)C#N)CCl)Cl A4065/0173240
C(C1(C2C(C2(C#N)C(=O)N)(C(=O)N1)C#N)O)[N+](=O)[O-] A4433/0189350
C(C1C(=C(C(=O)O1)Br)Br)C(=O)CC2C(=C(C(=O)O2)Br)Br A0316/0014473
C(C1C(=O)NC(=N)S1)C(=O)O A2329/0098290
C(C1C(=O)NC(=S)N1)C(=O)O A3415/0144883
C(CC(=N)N)CCl ZERO/009756
C(CC(=O)N)C(C(=O)O)NC(=O)N A2417/0102491
C(CC(=O)O)C(=O)Nc1c(non1)N A4012/0171066
C(CC(=O)O)C1C(=O)NC(=O)N1 A3348/0142122
C(CC(=O)O)C1C(=O)NC(=O)N1 ZERO/005088
C(CC(=O)O)c1[nH]c(=S)[nH]n1 A4028/0171740
C(CC(=O)O)c1[nH]c(=S)[nH]n1 ZERO/005793
C(CC(=O)O)c1nc(no1)c2c(non2)N A4058/0172998
C(CC(=O)O)c1nc(no1)c2c(non2)N ZERO/005894
C(CC(=O)O)c1nc(no1)c2nc(on2)CCC(=O)O ZERO/009765
C(CC1OC(OC(O1)CCCC(=O)O)CCCC(=O)O)CC(=O)O A4331/0184676
C(CC1OC(OC(O1)CCCC(=O)O)CCCC(=O)O)CC(=O)O ZERO/008978
C(CCC(=O)N/N=C(\c1c(non1)N)/N)CCO A2206/0092881
C(CCC(=O)NN)CC(=O)NN A1031/0048288
C(CCC(C(=O)O)N)CCC(C(=O)O)N A2945/0124045
C(CCCC(C(=O)O)N)CCC(C(=O)O)N A2945/0124025
C(CCCNC(=O)CSc1nnc(s1)N)CCNC(=O)CSc2nnc(s2)N A1381/0061786
C(CCCNC(=O)OCCF)CCNC(=O)OCCF A0722/0033651
C(CCC[N+](=O)[O-])CC[N+](=O)[O-] A2111/0088687
C(CCC[N+](=O)[O-])CC[N+](=O)[O-] ZERO/001402
C(CCCl)CO ZERO/004059
C(CCNC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(C(=O)[O-])NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F A0347/0015964
C(CCNC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(C(=O)[O-])NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F A0939/0043941
C(CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(C(=O)[O-])NC(=O)C(C(C(F)(F)F)(F)F)(F)F A0939/0043942
C(CCNC(=O)CSc1nnc(s1)N)CCNC(=O)CSc2nnc(s2)N A1719/0073298
C(CCNC(=O)CSc1nnc(s1)N)CNC(=O)CSc2nnc(s2)N A1725/0073427
C(CCNC(=O)OC(C(C(C(CF)(F)F)(F)F)(F)F)F)CNC(=O)OC(C(C(C(CF)(F)F)(F)F)(F)F)F A0615/0028514
C(CCOC(=O)C(C(F)(F)F)C(F)(F)F)COC(=O)C(C(F)(F)F)C(F)(F)F A3869/0164365
C(CCc1nnc(s1)N)CCc2nnc(s2)N A1316/0059745
C(CCl)NC(=O)OCCCl A4307/0183852
C(CCl)c1n[nH]nn1 A3348/0142124
C(CCl)c1n[nH]nn1 ZERO/005090
C(CN)CNc1c(c(n[nH]1)N)[N+](=O)[O-] A3372/0143166
C(CN)CNc1c(c(nc(c1F)F)F)F A2206/0092877
C(CN)COc1c(c(c(c(c1F)F)F)F)F A4071/0173425
C(CN)c1nc([nH]n1)N A3505/0148499
C(CN)c1nc([nH]n1)N ZERO/005190
C(CN1C(=O)c2c(c(c(c(c2Cl)Cl)Cl)Cl)C1=O)C(=O)O A1985/0083437
C(CN1C2C(NC(=O)N2)NC1=O)C(=O)O A2238/0094231
C(CNC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)C(=O)O A0410/0018911
C(CNC(=O)C([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F A1690/0072149
C(CNC(=O)CC#N)NC(=O)CC#N A3243/0137755
C(CNC(=O)c1c(non1)N)N A1068/0050101
C(CNC(=O)c1c(non1)N)N ZERO/003187
C(CNC(=O)c1n[nH]nn1)NC(=O)Cc2n[nH]nn2 A3310/0140702
C(CNC=C1C(=O)NC(=S)NC1=O)CO A0773/0036155
C(CNC=O)NC=O A2525/0107348
C(CNCP(=O)(CCC(=O)O)O)C(=O)O A1053/0049359
C(CNc1c(c(=O)[nH]c(=O)[nH]1)Br)CO A2534/0107789
C(CNc1c(c(n[nH]1)N)[N+](=O)[O-])N A3372/0143165
C(CNc1c(c(n[nH]1)N)[N+](=O)[O-])NCCO A3267/0138930
C(CNc1c(c(nc(c1F)F)F)F)CNc2c(c(nc(c2F)F)F)F A2289/0096402
C(CO)N(CCO)c1nc(nc(n1)Cl)N(CCO)CCO A3290/0139998
C(CO)N1C2C(NC(=S)N2)NC1=O A2207/0092926
C(CO)NC(=O)CC(=O)NCCO A4072/0173506
C(CO)NC(=O)c1c(non1)N A2318/0097771
C(CO)NC(=O)c1c(non1)N ZERO/003194
C(CO)Nc1c(c(=O)[nH]c(=O)[nH]1)I A2736/0116187
C(CO)c1c([nH]nc1O)C(=O)O A4329/0184625
C(CO)c1c([nH]nc1O)C(=O)O ZERO/008920
C(CO)c1n[nH]nn1 A3348/0142123
C(CO)c1n[nH]nn1 ZERO/005089
C(CO)n1c(c(c(n1)CC#N)C#N)N A3302/0140284
C(CO)n1c(c(c(n1)CC#N)C#N)N ZERO/004582
C(COC(=O)C1C(C1(C#N)C#N)(C#N)C#N)O A3724/0157815
C(COCC(F)(F)F)N A3031/0127856
C(COCC(F)(F)F)N ZERO/006027
C(COCCOCCc1nnc(s1)N)c2nnc(s2)N A0835/0039161
C(COc1c(c(c(c(c1F)F)F)F)F)N A4076/0173685
C(COc1c(c(sc1C(=O)O)C(=O)O)OCCO)O A3378/0143333
C(COc1c(non1)N)Oc2c(non2)N A0399/0018367
C(COc1c(non1)N)Oc2c(non2)N ZERO/008159
C(CS(=O)(=O)N)N A4401/0187863
C(CS(=O)(=O)N)N ZERO/009293
C(CS(=O)(=O)[O-])NC(=O)C(C(C(C(C(C(=O)NCCS(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F A0806/0037742
C(CS(=O)CCO)O A2231/0093906
C(CS(=O)CCO)O ZERO/001478
C(CSC(=N)N)C(=O)O A2494/0106048
C(CSC(=N)N)SCCSC(=N)N A2071/0087115
C(CSC(=N)N)SCCSC(=N)N ZERO/001432
C(CSCCc1nnc(s1)N)c2nnc(s2)N A0835/0039160
C(CSc1c(=O)[nH]c(=O)[nH]n1)F A0570/0026300
C(Cc1nc([nH]n1)N)c2nc([nH]n2)N A2532/0107696
C(Cc1nnc(s1)N)c2nnc(s2)N A1528/0066423
C(Cn1c(nc(n1)Br)Br)C(=O)N A4362/0186174
C(Cn1c(nc(n1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O A1303/0059270
C(Sc1nc([nH]n1)N)Sc2nc([nH]n2)N A1951/0082019
C(c1[nH]nc(n1)N)C(=O)O A2230/0093882
C(c1[nH]nc(n1)N)C(=O)O ZERO/001425
C(c1[nH]nnn1)C(=O)N A3702/0156993
C(c1[nH]nnn1)C(=O)N ZERO/005592
C(c1[nH]nnn1)C(=O)O A3935/0167535
C(c1[nH]nnn1)C(=O)O ZERO/006144
C(c1[nH]nnn1)N ZERO/009759
C(c1c([nH]c(=S)[nH]c1=O)O)c2c([nH]c(=S)[nH]c2=O)O A2573/0109767
C(c1c(n(nn1)c2c(non2)[n+]3[n-]c4c(n3)non4)CO)O A0185/0008229
C(c1c(no[n+]1[O-])[N+](=O)[O-])O A1574/0068574
C(c1c(non1)/N=N\c2c(non2)CC(=O)O)C(=O)O A1992/0083734
C(c1c(non1)/N=N\c2c(non2)CC(=O)O)C(=O)O ZERO/000251
C(c1c(non1)/N=[N+](\c2c(non2)CC(=O)O)/[O-])C(=O)O A1992/0083735
C(c1c(non1)/N=[N+](\c2c(non2)CC(=O)O)/[O-])C(=O)O ZERO/000252
C(c1c(non1)[N+](=O)[O-])C(=O)O A1992/0083733
C(c1c(non1)[N+](=O)[O-])C(=O)O ZERO/000250
C(c1c(non1)[N+](=O)[O-])Oc2c(non2)[N+](=O)[O-] A2396/0101456
C(c1nc([nH]n1)N)N A3504/0148472
C(c1nc([nH]n1)N)N ZERO/005159
C(c1nc([nH]n1)N)O A2532/0107695
C(c1nc([nH]n1)N)O ZERO/004602
C(c1nc([nH]n1)[N+](=O)[O-])C(=O)O ZERO/008151
C(c1nc(nn1CO)N[N+](=O)[O-])c2nc(nn2CO)N[N+](=O)[O-] A0894/0041995
C(c1nc(no1)c2c(non2)N)O A4193/0178603
C(c1nc(no1)c2c(non2)N)O ZERO/008496
C(c1nc(on1)C(F)(F)F)Cl A4197/0178690
C(c1nc(on1)C(F)(F)F)Cl ZERO/008596
C(c1nnc(n1N)S)O A3133/0132441
C(c1nnc(s1)N)C(=O)N A3544/0150211
C(c1nnc(s1)N)C(=O)NN A0777/0036375
C(c1nnc(s1)N)C(=O)O ZERO/009764
C/C(=C(/C#N)\C(=O)N)/c1cccs1 A1734/0073694
C/C(=C(/C#N)\C(C(F)(F)F)(C(F)(F)F)NC(=O)C1CCCCC1)/N A4246/0181005
C/C(=C(/C#N)\C(C(F)(F)F)(C(F)(F)F)NC(=O)CCC1CCCCC1)/N A4246/0181007
C/C(=C(/C#N)\C(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1Cl)Cl)/N A4246/0181006
C/C(=C(/C#N)\C(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccco1)/N A4255/0181432
C/C(=C(/C#N)\c1ccccc1)/NNC(=O)c2cc(cc(c2)OC)OC A3097/0131099
C/C(=C(/C#N)\c1ccccc1)/NNC(=O)c2ccc(cc2)C(C)(C)C A3097/0131100
C/C(=C(/C(=O)C)\Sc1nnc(n1c2ccccc2)c3ccc(cc3)Cl)/O A2241/0094373
C/C(=C(/C(=O)C)\Sc1nnc(n1c2ccccc2)c3ccccc3Cl)/O A2204/0092769
C/C(=C(/c1ccc(cc1)Br)\OC(=O)C23C(C2(C)C(=O)c4ccc(cc4)Br)c5ccccc5OC3=O)/Br A3575/0151744
C/C(=C(\C(=O)C)/N1C(=O)CCC1=O)/O A1117/0052460
C/C(=C(\[C@@H]1c2cc(ccc2O[C@@H]([C@H]1[N+](=O)[O-])C(Cl)(Cl)Cl)Br)/C(=O)C)/O A4181/0178160
C/C(=C(\[C@@H]1c2ccccc2O[C@@H]([C@H]1[N+](=O)[O-])C(F)(F)F)/C(=O)C)/O A4181/0178168
C/C(=C/1\C(=NN(C1=O)c2ccccc2)CC(=O)OC)/NC3CC(NC(C3)(C)C)(C)C A3804/0161480
C/C(=C/1\C(=NN(C1=O)c2ccccc2)CC(=O)OC)/NCCN3CCOCC3 A3807/0161604
C/C(=C/1\C(=NN(C1=O)c2ccccc2)CC(=O)OC)/NCCc3ccc(cc3)S(=O)(=O)N A4184/0178290
C/C(=C/1\C(=NN(C1=O)c2ccccc2)CC(=O)OC)/NCc3ccc4c(c3)OCO4 A3807/0161605
C/C(=C/1\C(=NN(C1=O)c2ccccc2)CC(=O)OC)/NCc3ccco3 A3804/0161479
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)O)/O A3142/0132855
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/NCCc4c[nH]cn4 A3807/0161607
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/NCc4ccccc4 A2917/0122929
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/NCc4cccnc4 A3807/0161606
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/Nc4cc(ccc4Cl)C(F)(F)F A2922/0123049
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/Nc4ccc(cc4)Cl A3499/0148362
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/Nc4ccc(cc4)OC A3461/0146853
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/O A2917/0122930
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)c4ccccc4)/NCCN5CCN(CC5)C(=O)Nc6ccc(c(c6)Cl)Cl A2691/0114642
C/C(=C/1\C(=NN(C1=O)c2nc3ccccc3s2)c4ccccc4)/O A2276/0095912
C/C(=C/1\C(=O)OC(=N1)c2ccc(cc2)Cl)/c3cccc(c3)[N+](=O)[O-] A0878/0041171
C/C(=C/1\C(=O)OC(=N1)c2ccccc2)/c3cccc(c3)[N+](=O)[O-] A0883/0041413
C/C(=C/1\C(CC(=CC1=O)c2ccco2)c3ccco3)/O A2580/0110040
C/C(=C/1\C(N(C(=O)C1=O)CCOC)c2ccccc2)/N A4391/0187414
C/C(=C/1\C(N(C(=O)C1=O)CCOC)c2ccccc2)/NCCO A4187/0178435
C/C(=C/1\C(N(C(=O)C1=O)CCOC)c2ccccc2)/Nc3ccc(cc3)OC A4090/0174390
C/C(=C/1\c2cc(c(cc2CCN1)OC)OC)/C(=O)C A1980/0083297
C/C(=C/C(=O)C1CC1)/C2CC2 A2110/0088659
C/C(=C/C(=O)C1CC1)/C2CC2 ZERO/000584
C/C(=C/C(=O)O)/C(=O)NCc1ccc(cc1)OC A4128/0176017
C/C(=C/C(=O)O)/C(=O)Nc1cccc(c1)C(F)(F)F A4125/0175851
C/C(=C/C(=O)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/NNC(=O)c1ccccc1 A3431/0145609
C/C(=C/C(=O)[O-])/C=C/c1ccoc1 A0900/0042243
C/C(=C/C[NH+]1C=CN=C1)/CS(=O)(=O)[O-] A0027/0001266
C/C(=C/c1c(nc2c(n1)cccn2)/C=C(/C)\O)/O A2887/0121660
C/C(=C/c1cc2c(c(c1)OC)OCO2)/[N+](=O)[O-] ZERO/009571
C/C(=C/c1ccc(cc1)/C=C(\C)/C=N/NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)/C=N\NC(=O)COc3ccc(cc3)C(C)(C)CC(C)(C)C A0939/0043955
C/C(=C/c1ccc(cc1)/C=C(\C)/C=N\NC(=O)CNC(=O)C(c2ccccc2)c3ccccc3)/C=N/NC(=O)CNC(=O)C(c4ccccc4)c5ccccc5 A0352/0016229
C/C(=C/c1ccco1)/C=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] A0444/0020451
C/C(=C\1/C(=NN(C1=O)c2nc3ccccc3s2)CC(=O)OC)/NCCc4c[nH]c5c4cc(cc5)OC A3932/0167379
C/C(=C\1/C(=O)CC(C(C1=O)C(=O)Nc2ccc(cc2)Br)(C)C)/Nc3ccc(cc3)Br A3223/0136782
C/C(=C\1/C(=O)N(C(=O)C1(C(F)(F)F)NC(=O)c2ccc(cc2)F)c3ccccc3)/O A4256/0181496
C/C(=C\1/C(=O)N(C(=S)S1)CO)/c2ccc(cc2)OC A1062/0049821
C/C(=C\1/C(=O)NC(=O)SC1=O)/O A4419/0188634
C/C(=C\1/C(=O)NC(=O)SC1=O)/O ZERO/009502
C/C(=C\1/C(=O)NC(=S)S1)/CC(=O)C A2030/0085227
C/C(=C\1/C(N(C(=O)C1=O)CCOC)c2ccccc2)/NNC(=O)c3ccccc3O A4204/0178922
C/C(=C\C(=C(/C#N)\C(=O)O)\C)/NCN1C(=O)c2ccccc2C1=O A4422/0188786
C/C(=C\C(=C(/C#N)\C(=O)O)\C)/NCNC(=O)CCl A4422/0188785
C/C(=C\C(=O)/C=C(\C)/NCCc1ccccc1)/NCCc2ccccc2 A3119/0132086
C/C(=C\C(=O)/C=C(\C)/NCCc1ccccc1)/NCCc2ccccc2 ZERO/001812
C/C(=C\C(=O)/C=C(\C)/NCc1ccccc1)/NCc2ccccc2 A3119/0132085
C/C(=C\C(=O)/C=C(\C)/NCc1ccccc1)/NCc2ccccc2 ZERO/001811
C/C(=C\C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/NNC(=O)c1ccc(cc1)F A2358/0099615
C/C(=C\C(=O)C)/N1C(C2CCc3ccc(cc3C2=N1)OC)c4ccc(cc4)F A2784/0117725
C/C(=C\C(=O)C)/NCCSSCCN/C=C(\C)/C(=O)C A1038/0048633
C/C(=C\C(=O)C)/Nc1c(cccn1)N A2876/0121217
C/C(=C\C(=O)C)/Nc1c(cccn1)N ZERO/005033
C/C(=C\C(=O)O)/C(=C/c1ccco1)/C(=O)O A0900/0042244
C/C(=C\C(=O)c1ccccc1)/NNC(=O)c2ccccc2[N+](=O)[O-] A1231/0056684
C/C(=C\C=C\N(C)C)/C(=O)/C=C/C=C/N(C)C A0702/0032731
C/C(=C\CC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)/CCC(=O)C(C)(C)O A1783/0075594
C/C(=C\CSc1nnc2n1c3ccccc3c(=O)n2N)/Cl A3387/0143675
C/C(=C\N=C\1/NC(=O)CC(S1)C(=O)Nc2ccc(cc2)Br)/c3ccc4ccccc4c3 A3414/0144813
C/C(=C\c1c(c2cc(ccc2o1)O)[N+](=O)[O-])/NCCCC(=O)O A3542/0150125
C/C(=C\c1c[nH]c2c1cccc2)/[N+](=O)[O-] A2198/0092504
C/C(=C\c1cc(c(c(c1)Br)O)OC)/[N+](=O)[O-] A1943/0081620
C/C(=C\c1cc(c2c(c1OC)OCO2)OC)/[N+](=O)[O-] A4417/0188532
C/C(=C\c1cc(c2c(c1OC)OCO2)OC)/[N+](=O)[O-] ZERO/009388
C/C(=C\c1cc2c(c(c1OC)OC)OCO2)/[N+](=O)[O-] A4417/0188531
C/C(=C\c1cc2c(c(c1OC)OC)OCO2)/[N+](=O)[O-] ZERO/009387
C/C(=C\c1ccc(c(c1)OC)OC)/C=N/NC(=O)C2CC2(c3ccccc3)c4ccccc4 A0415/0019173
C/C(=C\c1ccc(c(c1)OC)OCC=C)/[N+](=O)[O-] A1946/0081752
C/C(=C\c1ccc(cc1)/C=C(\C)/C=C\2/C(=O)OC(=N2)c3ccc4c(c3)OCO4)/C=C\5/C(=O)OC(=N5)c6ccc7c(c6)OCO7 A0458/0021163
C/C(=C\c1ccc(cc1)/C=C(\C)/C=C\2/N=C(C(=O)O2)c3cccc(c3)[N+](=O)[O-])/C=C\4/N=C(C(=O)O4)c5cccc(c5)[N+](=O)[O-] A0101/0004390
C/C(=C\c1ccc(cc1)/C=C(\C)/C=N/NC(=O)CNc2ccc3ccccc3c2)/C=N/NC(=O)CNc4ccc5ccccc5c4 A0353/0016269
C/C(=C\c1ccc(cc1)/C=C(\C)/C=N/NC(=O)CNc2cccc3c2cccc3)/C=N/NC(=O)CNc4cccc5c4cccc5 A0872/0040887
C/C(=C\c1ccc2c(c1)c3ccccc3o2)/[N+](=O)[O-] A4081/0173914
C/C(=C\c1cccc(c1)OC)/C(=O)Nc2ccccc2 A0967/0045196
C/C(=C\c1ccccc1)/C2C3=C(CC(CC3=O)(C)C)c4c5ccccc5ccc4N2 A1796/0076039
C/C(=C\c1ccccc1)/C=C\2/C(=O)N(C(=S)S2)c3ccc(cc3)[N+](=O)[O-] A1847/0077703
C/C(=C\c1ccccc1)/C=C\2/C(=O)N(C(=S)S2)c3cccc(c3)F A1833/0077271
C/C(=C\c1ccccc1)/C=C\2/C(=O)OC(=N2)c3ccc(cc3)Cl A0248/0011166
C/C(=C\c1ccccc1)/C=C\2/C(=O)OC(=N2)c3ccc(cc3)F A0248/0011190
C/C(=C\c1ccccc1)/C=C\2/C(=O)OC(=N2)c3ccc(cc3Cl)Cl A0248/0011195
C/C(=C\c1ccccc1)/C=C\2/C(=O)OC(=N2)c3cccc(c3)Cl A0248/0011186
C/C(=C\c1ccccc1)/C=N/NC(=O)CNC(=O)C(c2ccccc2)c3ccccc3 A0673/0031352
C/C(=C\c1ccccc1)/C=N/NC(=O)CNC(=O)c2ccco2 A0363/0016772
C/C(=C\c1ccccc1)/C=N/NC(=O)CNc2ccc3ccccc3c2 A0466/0021534
C/C(=C\c1ccccc1)/C=N/NC(=O)CNc2cccc3c2cccc3 A0466/0021529
C/C(=C\c1ccccc1)/C=N/NC(=O)COc2ccc(cc2OC)Br A0685/0031917
C/C(=C\c1ccccc1)/C=N/NC(=O)Cc2ccc(c3c2cccc3)Br A0996/0046591
C/C(=C\c1ccccc1)/C=N/NC(=O)Cc2cccc3c2cccc3 A0460/0021250
C/C(=C\c1ccccc1)/C=N/NC(=O)c2c(non2)N A4119/0175611
C/C(=C\c1ccccc1)/C=N/NC(=O)c2nc(n(n2)c3ccccc3)c4ccccc4 A0987/0046146
C/C(=C\c1ccccc1)/C=N/Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4 A0635/0029474
C/C(=C\c1ccccc1)/C=N/Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4 A0317/0014520
C/C(=C\c1ccccc1)/C=N\NC(=O)c2ccncc2 A1570/0068484
C/C(=C\c1ccccc1)/C=N\Nc2nc(nc(n2)Nc3ccc(cc3)OC)Nc4ccc(cc4)[N+](=O)[O-] A0415/0019148
C/C(=C\c1ccccc1)/[N+](=O)[O-] A1992/0083732
C/C(=C\c1ccccn1)/C=O A0927/0043391
C/C(=C\c1ccco1)/C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccc4 A2497/0106225
C/C(=C\c1ccco1)/C=N/NC(=O)/C(=C/c2ccccc2O)/NC(=O)c3ccccc3 A0670/0031174
C/C(=C\c1ccco1)/C=N/NC(=O)C(c2ccccc2)(c3ccccc3)O A0409/0018884
C/C(=C\c1ccco1)/C=N/NC(=O)COc2ccc(cc2Br)OC A0165/0007389
C/C(=C\c1ccco1)/C=N/NC(=O)COc2ccccc2[N+](=O)[O-] A0424/0019609
C/C(=C\c1cn(c2c1cccc2)C)/[N+](=O)[O-] A0998/0046691
C/C(=N/CCO)/c1c([nH]n(c1=O)c2nc3ccccc3s2)c4ccccc4 A2604/0110657
C/C(=N/Cc1ccco1)/C(C(=O)Nc2ccccc2)C(C(F)(F)F)(C(F)(F)F)NC(=O)c3ccc(cc3)OC A4257/0181548
C/C(=N/Cc1ccco1)/C(C(=O)Nc2ccccc2)C(C(F)(F)F)(C(F)(F)F)NC(=O)c3ccccc3 A4257/0181549
C/C(=N/N/C(=N/[N+](=O)[O-])/N)/C(=O)O A0976/0045629
C/C(=N/N1C(=O)CC(SC1=N)C(=O)Nc2ccc(cc2)C(=O)O)/C=C/c3ccc(cc3)N(C)C A2657/0113256
C/C(=N/N=C(/c1c(non1)N)\N)/c2ccc(cc2O)O A2949/0124218
C/C(=N/N=C/c1cccc(c1)/C=N/N=C(/C)\C(=N\O)\C)/C(=N/O)/C A2254/0094948
C/C(=N/N=C\1/N(C(=O)CS1)c2ccccc2)/c3ccc(cc3)Br A1386/0061970
C/C(=N/N=C\1/N(C(=O)CS1)c2ccccc2)/c3ccc(cc3)Cl A1258/0057497
C/C(=N/NC(=O)/C(=C/c1ccc(cc1)OC)/NC(=O)c2ccccc2)/C=C/c3ccccc3 A0291/0013241
C/C(=N/NC(=O)C(=O)NCc1ccc(cc1)Cl)/CCc2ccccc2 A1725/0073450
C/C(=N/NC(=O)C(=O)NCc1ccccc1)/CC(=O)NCc2cccnc2 A0648/0030124
C/C(=N/NC(=O)C(c1ccccc1)(c2ccccc2)O)/c3ccccc3 A1218/0056163
C/C(=N/NC(=O)C(c1ccccc1)O)/c2ccc(c(c2)Cl)Cl A1773/0075164
C/C(=N/NC(=O)CCC(=O)N/N=C(/C)\c1cccc(c1)Br)/c2cccc(c2)Br A0604/0027932
C/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C(/C)\c1ccc(cc1)Br)/c2ccc(cc2)Br A0312/0014251
C/C(=N/NC(=O)CCSc1ccc(cc1)Cl)/c2ccccc2O A0122/0005395
C/C(=N/NC(=O)CNC(=O)c1ccc(c(c1)OC)OC)/C=C/c2ccccc2 A0743/0034680
C/C(=N/NC(=O)CNC(=O)c1ccc(c(c1)OC)OC)/c2ccc(cc2OC)OC A0874/0040987
C/C(=N/NC(=O)CNC(=O)c1ccccc1Br)/Cc2ccccc2 A0726/0033847
C/C(=N/NC(=O)CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/CCC=C A0322/0014767
C/C(=N/NC(=O)CNc1c(cc(cc1Br)Br)Br)/CCC=C A0885/0041516
C/C(=N/NC(=O)CNc1c(cc(cc1Br)Br)Br)/c2ccccc2 A0864/0040503
C/C(=N/NC(=O)CNc1cc(c(cc1Br)Br)Br)/c2ccccc2 A0866/0040592
C/C(=N/NC(=O)CNc1ccc(cc1Br)Cl)/CCc2ccccc2 A0885/0041546
C/C(=N/NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/C=C/c2ccccc2 A0939/0043957
C/C(=N/NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc(cc2)O A0347/0015975
C/C(=N/NC(=O)COc1cccc(c1)Cl)/c2ccc(cc2)Cl A0204/0009083
C/C(=N/NC(=O)COc1ccccc1)/CCC=C A0710/0033134
C/C(=N/NC(=O)COc1ccccc1)/c2cccc(c2)N A0710/0033137
C/C(=N/NC(=O)CSCc1ccc(cc1)Cl)/c2cccc(c2)Br A0277/0012595
C/C(=N/NC(=O)CSCc1ccc(cc1)Cl)/c2cccc(c2)NC(=O)c3ccccc3 A0650/0030190
C/C(=N/NC(=O)CSCc1ccc(cc1)Cl)/c2cccc(c2)[N+](=O)[O-] A0650/0030203
C/C(=N/NC(=O)CSCc1ccccc1Cl)/c2ccc(cc2)[N+](=O)[O-] A0500/0023208
C/C(=N/NC(=O)Cc1ccc(cc1)OC)/CC(=O)N(C)c2ccccc2 A1222/0056339
C/C(=N/NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c2ccc(cc2)C(C)(C)C A0276/0012565
C/C(=N/NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3ccc(s3)Cl A1667/0071054
C/C(=N/NC(=O)c1c(n(nn1)c2c(non2)N)c3ccc(cc3)[N+](=O)[O-])/Cn4nc(nn4)[N+](=O)[O-] A1682/0071780
C/C(=N/NC(=O)c1c(n(nn1)c2c(non2)N)c3ccc(cc3)[N+](=O)[O-])/c4ccc5ccccc5c4 A1682/0071781
C/C(=N/NC(=O)c1c(n(nn1)c2c(non2)N)c3cccc(c3)[N+](=O)[O-])/c4ccc(cc4)c5ccccc5 A1683/0071872
C/C(=N/NC(=O)c1c(non1)N)/c2ccc(cc2)Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5 A1438/0063774
C/C(=N/NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])/c2ccc(cc2)NC(=O)c3ccccc3 A0931/0043593
C/C(=N/NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2cc(ccc2OC)OC A0647/0030055
C/C(=N/NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2cccc(c2)Cl A0647/0030072
C/C(=N/NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2ccccc2Cl A0647/0030069
C/C(=N/NC(=O)c1ccc(cc1)Br)/CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F A0613/0028396
C/C(=N/NC(=O)c1ccc(cc1)Cl)/CC(=O)Nc2ccc(cc2OC)OC A0379/0017420
C/C(=N/NC(=O)c1ccc(cc1)F)/C=C/C=C/c2ccccc2 A1461/0064388
C/C(=N/NC(=O)c1ccc(cc1)F)/c2cccc(c2)[N+](=O)[O-] A1669/0071176
C/C(=N/NC(=O)c1ccc(cc1)OCc2ccc(cc2)Br)/c3ccc(cc3)C(C)(C)C A0649/0030170
C/C(=N/NC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\c2ccccc2 A0976/0045652
C/C(=N/NC(=O)c1ccc(cc1)[N+](=O)[O-])/CC(=O)C A0612/0028344
C/C(=N/NC(=O)c1ccc(cc1)[N+](=O)[O-])/c2ccc(cc2OC)OC A0325/0014893
C/C(=N/NC(=O)c1ccc(cc1Cl)Cl)/c2ccc(cc2)OC A0966/0045145
C/C(=N/NC(=O)c1cccc(c1)Br)/c2ccc(cc2)C(C)(C)C A0974/0045518
C/C(=N/NC(=O)c1cccc(c1)Cl)/c2ccc3ccccc3c2 A1769/0074971
C/C(=N/NC(=O)c1cccc(c1)NC(=O)Cc2ccccc2)/c3ccc(c(c3)Cl)Cl A1215/0055979
C/C(=N/NC(=O)c1ccccc1Cl)/C(C)(C)C A1028/0048175
C/C(=N/NC(=O)c1ccccc1O)/c2ccc(cc2)N3C(=O)C4CCCCC4C3=O A0776/0036292
C/C(=N/NC(=O)c1ccccn1)/C(=N\O)/C A1040/0048749
C/C(=N/NC(=O)c1cccnc1)/C(=N/O)/C A1040/0048745
C/C(=N/NC(=O)c1cccnc1)/Cn2nc(nn2)[N+](=O)[O-] A2117/0088819
C/C(=N/NC(=O)c1ccncc1)/CC(=O)C A1255/0057338
C/C(=N/NC(=O)c1ccncc1)/c2ccc(cc2)C(C)(C)C A1754/0074469
C/C(=N/NC(=S)N)/CCc1ccc(cc1)O A0942/0044118
C/C(=N/NC(=S)NCc1ccccc1)/C2CC2 A3090/0130741
C/C(=N/Nc1c(c(ns1)SC)C#N)/c2ccc(c(c2)O)O A2038/0085653
C/C(=N/Nc1c(cccc1F)F)/c2ccc(c(c2)F)N3CCCCC3 A2591/0110305
C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C2(CCCCC2)C A0789/0036956
C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CCCO A0789/0036957
C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/[C@H]2[C@@H](CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C[N+](=O)[O-] A1560/0067968
C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/[C@H]2[C@@H](CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C[N+](=O)[O-] A1565/0068196
C/C(=N/Nc1ccccc1[N+](=O)[O-])/c2ccccc2 A0789/0036970
C/C(=N/Nc1cnn(c(=O)c1Cl)c2ccccc2)/c3ccc(cc3)OC A1234/0056781
C/C(=N/Nc1nc(cs1)c2ccc(c(c2)OC)OC)/c3ccc(cc3)OC A0361/0016652
C/C(=N/Nc1nc(cs1)c2ccc(cc2)Br)/c3ccc(cc3)Br A0334/0015323
C/C(=N/Nc1nc(cs1)c2ccc(cc2)Br)/c3ccc(cc3)OC A1678/0071622
C/C(=N/Nc1nc(cs1)c2cccc3c2cccc3)/c4ccc(cc4)Br A0559/0025840
C/C(=N/Nc1nc(nc(n1)N2CCCCC2)N3CCCCC3)/c4ccc(cc4)[N+](=O)[O-] A0317/0014525
C/C(=N/Nc1nc(nc(n1)N2CCOCC2)Nc3cccc(c3)Br)/c4ccc(cc4)Br A0422/0019539
C/C(=N/Nc1nc(nc(n1)N2CCOCC2)Nc3cccc(c3)Br)/c4ccc(cc4)F A0423/0019575
C/C(=N/Nc1nc(nc(n1)N2CCOCC2)Nc3cccc(c3)Br)/c4ccccc4 A0422/0019533
C/C(=N/Nc1nc2ccccc2s1)/C3C(=O)NC(=O)NC3=O A3730/0158081
C/C(=N/O)/C1CCCCCCCCCCC1 A2186/0091908
C/C(=N/O)/C=C/c1ccccc1 A1993/0083769
C/C(=N/O)/c1ccc(cc1)OCC(=O)Nc2ccc(cc2)OC A3049/0128737
C/C(=N/O)/c1cccc(c1)OCC(=O)N2CCOCC2 A3179/0134614
C/C(=N/OC(=O)C)/[C@@]12[C@@H](CC3[C@@]1(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C(=NO2)C(=O)OC A1567/0068336
C/C(=N/OC(=O)C)/[C@H]1[C@@H](CC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C[N+](=O)[O-] A1567/0068337
C/C(=N/OC(=O)C)/c1ccccc1 A0947/0044370
C/C(=N\C(C(F)(F)F)(C(F)(F)F)NC(=O)C)/C(C(=O)OC)C(C(F)(F)F)(C(F)(F)F)NC(=O)C A4256/0181483
C/C(=N\C1CC(NC(C1)(C)C)(C)C)/c2c([nH]n(c2=O)c3nc4ccccc4s3)c5ccccc5 A2636/0112235
C/C(=N\C1CCCCC1)/C(C(=O)Nc2ccccc2)C(C(F)(F)F)(C(F)(F)F)NC(=O)c3ccco3 A4256/0181477
C/C(=N\Cc1ccco1)/c2c([nH]c(=O)sc2=O)O A3999/0170432
C/C(=N\N(Cc1ccccc1)c2ccccc2)/c3ccc(cc3)c4ccccc4 A0446/0020560
C/C(=N\N)/c1ccc(c(c1)CN2CCCCC2)OC A1810/0076493
C/C(=N\N1C(=O)CC(SC1=N)C(=O)Nc2ccc(cc2)C(=O)O)/CCc3ccc4c(c3)OCO4 A2645/0112667
C/C(=N\N1C(=O)CC(SC1=N)C(=O)Nc2ccc(cc2)C(=O)O)/c3cccs3 A2494/0106063
C/C(=N\N1C(=O)CC(SC1=N)C(=O)Nc2ccc(cc2)OC)/c3ccc(cc3)Cl A2680/0114215
C/C(=N\N1C(=O)CC(SC1=N)C(=O)Nc2cccc(c2)Cl)/c3ccc(cc3)F A2645/0112666
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccc(c(c3)OC)OC)/c4ccc(cc4)Cl A2102/0088305
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccc(c(c3)OC)OCC=C)/c4ccc(cc4)Cl A1865/0078401
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccc(cc3)Br)/c4ccccc4 A1858/0078179
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccc(cc3)OC)/c4ccc(cc4)[N+](=O)[O-] A2243/0094467
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccc(cc3)[N+](=O)[O-])/c4ccccc4 A1848/0077797
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccc(cc3Cl)Cl)/c4ccc(cc4)Cl A2105/0088425
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])/c4ccc(cc4)Cl A2102/0088304
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccccc3)/c4ccccc4 A1850/0077876
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccccc3Cl)/c4ccc(cc4)Cl A2105/0088427
C/C(=N\N1C(N(CC1=O)Cc2ccccc2)c3ccncc3)/c4ccc(cc4)Cl A1970/0082854
C/C(=N\N1C(Nc2ccccc2C1=O)c3ccc(c(c3)OC)O)/c4ccc(cc4)OC A2029/0085193
C/C(=N\N1C(Nc2ccccc2C1=O)c3ccc(cc3Cl)Cl)/c4ccccc4O A3021/0127394
C/C(=N\N1C(Nc2ccccc2C1=O)c3ccc4c(c3)OCO4)/c5ccc(cc5)OC A2044/0085927
C/C(=N\N1C(Nc2ccccc2C1=O)c3cccc(c3)Cl)/c4ccc(cc4)OC A2037/0085585
C/C(=N\N1C(Nc2ccccc2C1=O)c3ccccc3Cl)/c4ccc(cc4)OC A2037/0085586
C/C(=N\N1C(Nc2ccccc2C1=O)c3ccco3)/c4ccccc4O A2356/0099494
C/C(=N\N=C(/C)\c1ccc(cc1)Br)/c2ccc(cc2)Br A3571/0151530
C/C(=N\N=C(/C)\c1ccc(cc1N)C(C)(C)C)/c2ccc(cc2N)C(C)(C)C A4350/0185597
C/C(=N\N=C(\C)/c1ccc(c(c1)[N+](=O)[O-])C2CC2)/c3ccc(c(c3)[N+](=O)[O-])C4CC4 A3326/0141228
C/C(=N\N=C/1\c2cc(c(cc2CC(N1)(C)C)OC)OC)/C(=N\N=C\3/c4cc(c(cc4CC(N3)(C)C)OC)OC)/C A2618/0111350
C/C(=N\N=C\1/N(C(=O)C(S1)CC(=O)O)c2ccccc2)/c3ccco3 A1549/0067416
C/C(=N\N=C\1/N(C(=O)CS1)CC=C)/c2ccc(cc2)c3ccccc3 A1910/0080287
C/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/c2cc(c(c(c2)OC)OC)OC A2490/0105864
C/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/c2ccc(cc2)C3CCCCC3 A2961/0124706
C/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/c2ccc(cc2)Cl A1534/0066674
C/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/c2ccco2 A1530/0066500
C/C(=N\N=C\1/NC(=O)CC(S1)C(=O)O)/c2ccc(s2)Br A2078/0087368
C/C(=N\N=C\1/NC(=O)CC(S1)C(=O)O)/c2cccs2 A2019/0084717
C/C(=N\N=C\1/NC(=O)CS1)/c2cccs2 A1816/0076804
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)Cc2ccccc2)/c3ccccc3 A0513/0023744
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2cc(ccc2Cl)Cl)/c3ccccc3 A0513/0023752
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(c(c2)Cl)Cl)/C=C/c3ccc(cc3)N(C)C A1537/0066831
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)Br)/c3ccc(cc3)OC A0365/0016845
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)C(=O)O)/C=C/c3ccc(cc3)N(C)C A1537/0066829
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)C(=O)O)/CCc3ccc4c(c3)OCO4 A1903/0079957
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)C(=O)O)/c3cccs3 A1537/0066830
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)Cl)/C=C/c3ccc(cc3)N(C)C A1548/0067361
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)OC)/C=C/c3ccc(cc3)N(C)C A1471/0064873
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)OC)/c3ccc(cc3)Cl A1718/0073252
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)OC)/c3ccc(cc3)F A1819/0076911
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2ccc(cc2)OC)/c3cccs3 A1436/0063730
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2cccc(c2)C(=O)O)/c3ccc(cc3)OC A0436/0020177
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2cccc(c2)Cl)/C=C/c3ccc(cc3)N(C)C A1537/0066828
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2cccc(c2)Cl)/c3ccc(cc3)F A1498/0065657
C/C(=N\NC(=N)SC1CC(=O)N(C1=O)c2cccc(c2)OC)/c3ccc(cc3)F A1874/0078856
C/C(=N\NC(=O)/C(=C/C=C/c1ccccc1)/NC(=O)c2ccccc2)/c3cc(cs3)[N+](=O)[O-] A0343/0015793
C/C(=N\NC(=O)/C(=C/c1ccc(cc1)OC)/NC(=O)c2ccccc2)/c3ccccc3 A0651/0030251
C/C(=N\NC(=O)/C(=C/c1ccccc1)/NC(=O)c2ccccc2)/c3cccc(c3)Br A1341/0060525
C/C(=N\NC(=O)/C(=C\c1ccc(cc1)F)/NC(=O)c2ccccc2)/c3cccc(c3)[N+](=O)[O-] A0618/0028636
C/C(=N\NC(=O)/C(=C\c1ccc(cc1)F)/NC(=O)c2ccccc2)/c3ccccc3O A0618/0028641
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)NCC=C A0536/0024738
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1cc(ccc1Cl)Cl A0553/0025567
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc(cc1)Br A0553/0025570
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc(cc1)Cl A0553/0025563
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc(cc1)F A0553/0025559
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc(cc1)I A0553/0025572
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc(cc1)NC(=O)C A0751/0035082
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc(cc1[N+](=O)[O-])OC A0553/0025554
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccc2ccccc2c1 A0554/0025577
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1cccc(c1)Cl A0553/0025562
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1cccc(c1)OC A0553/0025553
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1cccc(c1)[N+](=O)[O-] A0924/0043245
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1cccc(c1Cl)Cl A0553/0025564
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1cccc2c1cccc2 A0554/0025575
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccccc1Br A0543/0025046
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccccc1Cl A0553/0025560
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccccc1F A0553/0025557
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccccc1OC A0553/0025552
C/C(=N\NC(=O)C(=O)NCCO)/CC(=O)Nc1ccccn1 A0536/0024716
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)NCCc1ccccc1 A0481/0022267
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)NCc1ccccc1 A0480/0022259
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1ccc(cc1)C(=O)N A0480/0022234
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1ccc(cc1)Cl A0479/0022188
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1ccc(cc1)I A0480/0022220
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1ccc(cc1Cl)Cl A1787/0075681
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1ccc2ccccc2c1 A0480/0022241
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1cccc(c1)Br A0479/0022207
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1cccc(c1)I A0480/0022214
C/C(=N\NC(=O)C(=O)NCCOC)/CC(=O)Nc1ccccc1 A0477/0022095
C/C(=N\NC(=O)C(=O)NCc1ccccc1)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0620/0028732
C/C(=N\NC(=O)C(=O)Nc1cc(ccc1Cl)Cl)/c2ccc(cc2OC)OC A1799/0076099
C/C(=N\NC(=O)C(=O)Nc1cc(ccc1Cl)Cl)/c2ccc3ccccc3c2 A1787/0075718
C/C(=N\NC(=O)C(=O)Nc1cc(ccc1OC)OC)/CC(=O)Nc2cccc(c2)I A0290/0013175
C/C(=N\NC(=O)C(=O)Nc1cc(ccc1OC)OC)/CC(=O)Nc2ccccc2[N+](=O)[O-] A0643/0029852
C/C(=N\NC(=O)C(=O)Nc1ccc(cc1OC)OC)/CC(=O)NCc2ccccc2OC A1308/0059507
C/C(=N\NC(=O)C(=O)Nc1cccc2c1cccc2)/CC(=O)Nc3ccc(c(c3)Cl)Cl A0620/0028727
C/C(=N\NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/C=C/c1ccccc1 A0725/0033788
C/C(=N\NC(=O)C(CSCc1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/c3cccc(c3)[N+](=O)[O-] A0620/0028742
C/C(=N\NC(=O)C(CSCc1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/c3ccccc3 A0620/0028715
C/C(=N\NC(=O)C(CSCc1ccccc1)NC(=O)c2ccc(cc2)[N+](=O)[O-])/c3ccccc3 A0624/0028922
C/C(=N\NC(=O)C(c1ccccc1)(c2ccccc2)O)/c3ccc(cc3)Br A1219/0056197
C/C(=N\NC(=O)C(c1ccccc1)OC)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0620/0028746
C/C(=N\NC(=O)C(c1ccccc1)OC)/c2ccc3c(c2)OCCO3 A1461/0064408
C/C(=N\NC(=O)C1C2C1CCCC2)/c3ccc(cc3)Br A0322/0014748
C/C(=N\NC(=O)C1CC1c2ccccc2)/c3ccc(cc3)N A0506/0023494
C/C(=N\NC(=O)C1CC1c2ccccc2)/c3ccc(cc3)c4ccccc4 A0506/0023512
C/C(=N\NC(=O)C1CC1c2ccccc2)/c3cccc(c3)N A0506/0023489
C/C(=N\NC(=O)C1CCCCC1)/c2cccs2 A0895/0042024
C/C(=N\NC(=O)C1CCN(CC1)C(=O)c2ccccc2)/c3ccc(cc3O)O A1962/0082542
C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl)/c3ccc(cc3)OC A2017/0084650
C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl)/c3ccc(cc3)[N+](=O)[O-] A2017/0084652
C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl)/c3ccc4ccccc4c3 A2017/0084648
C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl)/c3ccccc3 A2011/0084430
C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2)/CN3C(=O)c4ccccc4C3=O A2011/0084426
C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2)/c3ccccc3 A2011/0084425
C/C(=N\NC(=O)CC#N)/CC(=O)Nc1ccc(cc1)NC(=O)C A0814/0038126
C/C(=N\NC(=O)CC#N)/c1ccc(cc1)[N+](=O)[O-] A0382/0017552
C/C(=N\NC(=O)CC1(CCCCC1)O)/c2ccc(cc2)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-] A1570/0068482
C/C(=N\NC(=O)CC1(OCCO1)C)/c2ccc(c(c2)[N+](=O)[O-])OC A1382/0061826
C/C(=N\NC(=O)CC1(OCCO1)C)/c2cccc(c2)I A1492/0065523
C/C(=N\NC(=O)CCCC(=O)Nc1ccc(cc1)I)/c2ccccc2 A0636/0029503
C/C(=N\NC(=O)CCCCCCC(=O)N/N=C(\C)/C=C/c1ccccc1)/C=C/c2ccccc2 A0313/0014325
C/C(=N\NC(=O)CCCCCCCC(=O)N/N=C(\C)/c1ccc(cc1)Br)/c2ccc(cc2)Br A0655/0030465
C/C(=N\NC(=O)CCSc1ccc(cc1)Cl)/c2cccc(c2)I A0477/0022094
C/C(=N\NC(=O)CCc1ccc(cc1)OC)/c2ccc(cc2)Br A0410/0018947
C/C(=N\NC(=O)CCn1c2ccccc2nn1)/CCc3ccccc3 A0427/0019748
C/C(=N\NC(=O)CN(C)c1ccccc1)/c2cccc3c2cccc3 A0479/0022170
C/C(=N\NC(=O)CN(c1cc(ccc1OC)Cl)S(=O)(=O)c2ccc(c(c2)OC)OC)/c3cccs3 A1676/0071492
C/C(=N\NC(=O)CN(c1cc(ccc1OC)Cl)S(=O)(=O)c2ccccc2)/c3cccs3 A1181/0054708
C/C(=N\NC(=O)CN(c1ccc(c(c1)Cl)Cl)S(=O)(=O)c2ccccc2)/c3ccc(cc3)I A0478/0022144
C/C(=N\NC(=O)CN(c1ccc(c(c1)Cl)Cl)S(=O)(=O)c2ccccc2)/c3cccc(c3)I A0477/0022091
C/C(=N\NC(=O)CN(c1ccc(cc1)Br)S(=O)(=O)c2ccccc2)/c3ccccc3O A0814/0038127
C/C(=N\NC(=O)CN(c1ccc(cc1)Cl)S(=O)(=O)C)/C(C)(C)C A1849/0077837
C/C(=N\NC(=O)CN(c1ccc(cc1)Cl)S(=O)(=O)C)/c2ccc(cc2)Br A1585/0068859
C/C(=N\NC(=O)CN(c1ccc(cc1)Cl)S(=O)(=O)C)/c2ccc(cc2)[N+](=O)[O-] A1757/0074597
C/C(=N\NC(=O)CN(c1ccc(cc1)Oc2ccccc2)S(=O)(=O)C)/c3cccs3 A1553/0067633
C/C(=N\NC(=O)CN(c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c2ccccc2)/C(C)(C)C A1579/0068707
C/C(=N\NC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)c2ccccc2)/c3ccc(cc3)I A0478/0022137
C/C(=N\NC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)c2ccccc2)/c3cccc(c3)I A0477/0022083
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-])/c3ccc(cc3)Cl A1553/0067618
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-])/c3ccc(cc3)OC A1553/0067625
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-])/c3cccc(c3)Br A1804/0076241
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-])/c3ccccc3 A1553/0067624
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-])/c3cccs3 A1664/0070903
C/C(=N\NC(=O)CN(c1ccccc1OC)S(=O)(=O)c2ccccc2)/c3cccc(c3)I A0477/0022098
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3cc(ccc3O)O A0673/0031355
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3ccc(c(c3)[N+](=O)[O-])OC A0454/0020963
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3ccc(cc3)C(C)(C)C A0676/0031482
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3ccc(cc3)F A0676/0031484
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3ccc(cc3)N(C)C A0736/0034348
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3ccc4ccccc4c3 A0117/0005157
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3cccc(c3)[N+](=O)[O-] A0673/0031356
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c2ccccc2)/c3ccccc3 A0676/0031475
C/C(=N\NC(=O)CNC(=O)c1cc(c(c(c1)OC)OC)OC)/c2ccc(cc2)N A0453/0020891
C/C(=N\NC(=O)CNC(=O)c1ccc(c(c1)OC)OC)/c2ccc(cc2)N A0742/0034666
C/C(=N\NC(=O)CNC(=O)c1ccc(c(c1)OC)OC)/c2cccc(c2)N A0743/0034669
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/C=C/c2ccccc2 A1023/0047906
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2ccc(cc2)Br A0745/0034791
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2ccc(cc2)F A0459/0021209
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2ccc(cc2)N(C)C A0745/0034801
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2ccc(cc2)c3ccccc3 A0462/0021353
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2ccc3ccccc3c2 A0745/0034807
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2cccc(c2)[N+](=O)[O-] A0745/0034798
C/C(=N\NC(=O)CNC(=O)c1ccc(cc1)Cl)/c2ccccc2 A0461/0021290
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2cc(ccc2O)O A0459/0021213
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(c(c2)[N+](=O)[O-])OC A1025/0047990
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(cc2)Br A0745/0034790
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(cc2)F A0165/0007399
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(cc2)N(C)C A0165/0007405
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(cc2)OC A0459/0021211
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(cc2)[N+](=O)[O-] A0745/0034799
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc(cc2)c3ccccc3 A0462/0021352
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccc3ccccc3c2 A0745/0034806
C/C(=N\NC(=O)CNC(=O)c1cccc(c1)F)/c2ccccc2 A0461/0021289
C/C(=N\NC(=O)CNC(=O)c1ccccc1Br)/c2ccc(c(c2)[N+](=O)[O-])OC A0415/0019168
C/C(=N\NC(=O)CNC(=O)c1ccccc1Br)/c2ccccc2 A0697/0032487
C/C(=N\NC(=O)CNC(=O)c1ccco1)/c2ccc(cc2)Br A0165/0007402
C/C(=N\NC(=O)CNC(=O)c1ccco1)/c2ccc(cc2)C(C)(C)C A0361/0016672
C/C(=N\NC(=O)CNC(=O)c1ccco1)/c2ccc(cc2)Cl A0165/0007401
C/C(=N\NC(=O)CNC(=O)c1ccco1)/c2ccc(cc2)F A0165/0007400
C/C(=N\NC(=O)CNC(=O)c1ccco1)/c2ccc(cc2)OC A0360/0016634
C/C(=N\NC(=O)CNC(=O)c1ccco1)/c2ccc(cc2)c3ccccc3 A0462/0021354
C/C(=N\NC(=O)CNc1c(cc(cc1Br)Br)Br)/CCc2ccccc2 A0872/0040906
C/C(=N\NC(=O)CNc1c(cc(cc1Br)Br)Br)/CCc2ccco2 A0885/0041526
C/C(=N\NC(=O)CNc1c(cc(cc1Br)Br)Br)/c2ccc(cc2OC)OC A0866/0040613
C/C(=N\NC(=O)CNc1cc(c(cc1Br)Br)Br)/CCc2ccccc2 A0680/0031657
C/C(=N\NC(=O)CNc1cc(c(cc1Br)Br)Br)/c2ccc(cc2)Br A0680/0031658
C/C(=N\NC(=O)CNc1ccc(cc1)Cl)/C(=N/O)/C A2214/0093176
C/C(=N\NC(=O)CNc1ccc(cc1)OC)/c2ccc(cc2)Br A0413/0019096
C/C(=N\NC(=O)CNc1ccc(cc1Br)Br)/C=C/c2ccccc2 A0885/0041545
C/C(=N\NC(=O)CNc1ccc(cc1Br)Cl)/c2ccc(cc2)Br A0885/0041520
C/C(=N\NC(=O)CNc1ccc(cc1Br)Cl)/c2ccccc2 A0886/0041556
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/C=C/c3ccccc3 A0883/0041455
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/C=C/c3ccco3 A0452/0020878
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3ccc(c(c3)OC)OC A0165/0007394
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3ccc(c(c3)[N+](=O)[O-])OC A0883/0041437
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3ccc(cc3)C(C)(C)C A0995/0046540
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3ccc(cc3)Cl A0741/0034572
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3ccc(cc3)F A0460/0021251
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3ccc(cc3OC)OC A0735/0034298
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)/c3cccc(c3)Br A0996/0046574
C/C(=N\NC(=O)CNc1cccc(c1)Br)/C=N/NC(=O)CNc2cccc(c2)Br A0885/0041543
C/C(=N\NC(=O)CNc1cccc(c1)Br)/CCc2ccco2 A0869/0040759
C/C(=N\NC(=O)CNc1cccc(c1)Br)/c2ccc(cc2)Br A0863/0040444
C/C(=N\NC(=O)CNc1cccc(c1)Br)/c2ccccc2 A0871/0040842
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/C=C/c3ccccc3 A0880/0041289
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/CCc3ccccc3 A0872/0040908
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/c3ccc(cc3)C(C)(C)C A0171/0007696
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/c3ccc4c(c3)CCCC4 A0746/0034853
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/c3ccc4ccccc4c3 A0868/0040717
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/c3ccccc3 A0870/0040782
C/C(=N\NC(=O)CNc1cccc2c1cccc2)/c3ccco3 A0452/0020872
C/C(=N\NC(=O)CNc1ccccc1OC)/c2ccc(cc2)Br A0885/0041518
C/C(=N\NC(=O)CNc1ccccc1OC)/c2ccccc2 A0863/0040435
C/C(=N\NC(=O)COC)/CC(=O)NCC1CCCO1 A0587/0027113
C/C(=N\NC(=O)COC)/CC(=O)Nc1cc(ccc1Cl)C(F)(F)F A0905/0042501
C/C(=N\NC(=O)COC)/CC(=O)Nc1cc2c(cc1OC)c3ccccc3o2 A1064/0049901
C/C(=N\NC(=O)COC)/CC(=O)Nc1ccc(cc1)F A0620/0028731
C/C(=N\NC(=O)COC1=CCCCC1)/c2ccccc2 A0623/0028895
C/C(=N\NC(=O)COc1c(cc(c(c1Br)Cl)Br)Br)/c2ccc(cc2)F A0407/0018799
C/C(=N\NC(=O)COc1c(cc(c(c1Br)Cl)Br)Br)/c2cccc(c2)Br A0406/0018748
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/CC(=O)Nc2ccccc2OC A0993/0046456
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2ccc(cc2)Br A0461/0021312
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2ccc(cc2)O A0993/0046461
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2ccc(cc2)OC A0461/0021316
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2cccc(c2)Br A0992/0046408
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2cccc(c2)[N+](=O)[O-] A0461/0021314
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2ccccc2 A0993/0046431
C/C(=N\NC(=O)COc1c(cc(cc1Br)Br)OC)/c2cccs2 A0233/0010534
C/C(=N\NC(=O)COc1c(cc(cc1Br)Cl)Cl)/c2cccc(c2)[N+](=O)[O-] A0788/0036873
C/C(=N\NC(=O)COc1c(cc(cc1Cl)Cl)Cl)/c2ccc(cc2)F A0641/0029771
C/C(=N\NC(=O)COc1ccc(cc1)Br)/CC(=O)NCCc2ccccc2 A0331/0015212
C/C(=N\NC(=O)COc1ccc(cc1)Br)/CC(=O)Nc2cc3c(cc2OC)c4ccccc4o3 A1056/0049521
C/C(=N\NC(=O)COc1ccc(cc1)Br)/CC(=O)Nc2ccc(cc2)F A0620/0028745
C/C(=N\NC(=O)COc1ccc(cc1)Br)/CC(=O)Nc2ccc(cc2F)F A0639/0029667
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc(c(c2)OC)OC A0994/0046479
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc(cc2)Br A0412/0019023
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc(cc2)OC A0424/0019634
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc(cc2)c3ccccc3 A0412/0019020
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc(s2)Br A0425/0019647
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc3c(c2)CCCC3 A0996/0046561
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccc3c(c2)OCCO3 A0427/0019768
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2cccc(c2)Br A0676/0031491
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2cccc(c2)[N+](=O)[O-] A0412/0019024
C/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)/c2ccccc2 A0668/0031108
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/C=C/c2ccccc2 A0455/0021032
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/c2cc(ccc2O)O A0491/0022752
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/c2ccc(c(c2)[N+](=O)[O-])OC A1102/0051776
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/c2ccc(cc2)N(C)C A0764/0035718
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/c2ccc(cc2)[N+](=O)[O-] A0763/0035685
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/c2ccc(cc2)c3ccccc3 A0763/0035683
C/C(=N\NC(=O)COc1ccc(cc1)Cl)/c2ccc(cc2OC)OC A0765/0035748
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)NCc2ccccc2 A0537/0024784
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)NCc2ccccc2OC A1336/0060293
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2ccc(cc2)OC A0751/0035078
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2ccc(cc2[N+](=O)[O-])OC A0924/0043235
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2ccc3ccccc3c2 A0544/0025112
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2cccc(c2)Br A0924/0043237
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2cccc(c2)[N+](=O)[O-] A0544/0025094
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2cccc3c2cccc3 A0544/0025109
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2ccccc2C(=O)OC A0123/0005433
C/C(=N\NC(=O)COc1ccc(cc1)OC)/CC(=O)Nc2ccccc2c3ccccc3 A0543/0025040
C/C(=N\NC(=O)COc1ccc(cc1Br)Br)/CC(=O)Nc2ccc(cc2)F A0620/0028748
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/C=C/C=C/c2ccccc2 A0297/0013548
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/C=C/c2cccc(c2)[N+](=O)[O-] A0297/0013549
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/c2ccc(cc2)C(C)(C)C A0948/0044408
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/c2ccc(cc2)c3ccccc3 A0297/0013538
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/c2ccc3c(c2)CCCC3 A0297/0013537
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/c2ccccc2 A0956/0044659
C/C(=N\NC(=O)COc1ccc(cc1Br)Cl)/c2cccs2 A0297/0013547
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2cc(cs2)[N+](=O)[O-] A0166/0007465
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2ccc(c(c2)[N+](=O)[O-])OC A0469/0021714
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2ccc(cc2)F A0469/0021675
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2ccc(cc2)O A0469/0021706
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2ccc(s2)Br A0363/0016744
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2cccc(c2)[N+](=O)[O-] A0469/0021704
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2ccccc2 A0469/0021682
C/C(=N\NC(=O)COc1ccc(cc1Br)OC)/c2cccs2 A0166/0007458
C/C(=N\NC(=O)COc1ccc(cc1Br)[N+](=O)[O-])/c2ccc(c(c2)OC)OC A0994/0046475
C/C(=N\NC(=O)COc1ccc(cc1Br)[N+](=O)[O-])/c2ccc(cc2)Cl A0662/0030776
C/C(=N\NC(=O)COc1ccc(cc1Br)[N+](=O)[O-])/c2cccc(c2)Br A0661/0030763
C/C(=N\NC(=O)COc1ccc(cc1Br)[N+](=O)[O-])/c2ccccc2 A0427/0019773
C/C(=N\NC(=O)COc1ccc(cc1Cl)Cl)/c2ccc(cc2OC)OC A0641/0029764
C/C(=N\NC(=O)COc1ccc(cc1Cl)Cl)/c2ccccc2 A1253/0057278
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/C=C/c2ccccc2 A0869/0040748
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/C=C/c2ccco2 A0868/0040699
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/CC(=O)Nc2ccccc2OC A0868/0040688
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2ccc(c(c2)[N+](=O)[O-])OC A0880/0041288
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2ccc(cc2)Cl A0868/0040703
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2ccc(cc2)OC A0880/0041275
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2ccc(cc2)c3ccccc3 A0869/0040741
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2ccc3c4c2cccc4CC3 A0880/0041297
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2cccc(c2)[N+](=O)[O-] A0880/0041287
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2ccccc2 A0880/0041282
C/C(=N\NC(=O)COc1ccc(cc1OC)Br)/c2cccs2 A0880/0041281
C/C(=N\NC(=O)COc1ccc2ccccc2c1)/CC(=O)Nc3cccnc3 A1335/0060290
C/C(=N\NC(=O)COc1cccc(c1)Br)/c2ccc(c(c2)OC)OC A1703/0072564
C/C(=N\NC(=O)COc1cccc(c1)Br)/c2ccc(cc2)N A1658/0070681
C/C(=N\NC(=O)COc1cccc(c1)Cl)/c2ccc(cc2)N A0874/0040972
C/C(=N\NC(=O)COc1ccccc1C#N)/C=C/c2ccccc2 A1146/0053588
C/C(=N\NC(=O)COc1ccccc1C#N)/c2ccccc2 A1139/0053257
C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])/c2ccc(cc2)O A1570/0068485
C/C(=N\NC(=O)CSCC(=O)N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/c3ccc(cc3)NC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-] A0931/0043594
C/C(=N\NC(=O)CSCc1ccc(cc1)Cl)/c2ccccc2 A0569/0026249
C/C(=N\NC(=O)CSCc1ccc(cc1)OC)/c2ccc(cc2)Cl A1900/0079770
C/C(=N\NC(=O)CSCc1ccc(cc1)OC)/c2ccc(cc2)OC A1727/0073498
C/C(=N\NC(=O)CSCc1ccc(cc1)[N+](=O)[O-])/c2cccc(c2)NC(=O)c3cccc(c3)Cl A0539/0024879
C/C(=N\NC(=O)CSCc1ccc(cc1)[N+](=O)[O-])/c2cccc(c2)NC(=O)c3ccccc3 A0539/0024882
C/C(=N\NC(=O)CSCc1ccc(cc1)[N+](=O)[O-])/c2cccc(c2)[N+](=O)[O-] A0539/0024871
C/C(=N\NC(=O)CSCc1ccc(cc1)[N+](=O)[O-])/c2ccccc2 A0539/0024872
C/C(=N\NC(=O)CSCc1ccc(cc1)[N+](=O)[O-])/c2cccs2 A1407/0062898
C/C(=N\NC(=O)CSCc1cccc(c1)Cl)/c2ccc(cc2)Br A0651/0030238
C/C(=N\NC(=O)CSCc1cccc(c1)Cl)/c2cccc(c2)I A0477/0022104
C/C(=N\NC(=O)CSCc1ccccc1Br)/c2cccc(c2)I A0562/0025974
C/C(=N\NC(=O)CSCc1ccccc1Cl)/c2cccc(c2)NC(=O)c3ccccc3 A0500/0023217
C/C(=N\NC(=O)CSc1[nH]ncn1)/c2cccs2 A1981/0083306
C/C(=N\NC(=O)CSc1nc2ccccc2s1)/c3ccccc3O A1404/0062743
C/C(=N\NC(=O)CSc1nc2ccccc2s1)/c3ccccc3OC A2121/0089015
C/C(=N\NC(=O)Cc1ccc(c(c1)OC)OC)/CC(=O)NCc2ccccc2OC A1310/0059576
C/C(=N\NC(=O)Cc1ccc(c(c1)OC)OC)/CC(=O)Nc2ccc(cc2)F A0446/0020592
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/C=C/c3ccco3 A0452/0020862
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc(c(c3)OC)OC A0994/0046503
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc(cc3)Br A0867/0040653
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc(cc3)C(C)(C)C A0465/0021525
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc(cc3)Cl A0994/0046487
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc(cc3)F A0993/0046441
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc(cc3)c4ccccc4 A0869/0040750
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccc4ccccc4c3 A0867/0040663
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3cccc(c3)Br A0994/0046497
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3cccc(c3)[N+](=O)[O-] A0867/0040656
C/C(=N\NC(=O)Cc1ccc(c2c1cccc2)Br)/c3ccccc3 A0454/0020941
C/C(=N\NC(=O)Cc1ccc(cc1)Cl)/CC(=O)Nc2ccc(cc2)F A0192/0008489
C/C(=N\NC(=O)Cc1ccc(cc1)[N+](=O)[O-])/C=C/c2ccccc2F A0644/0029916
C/C(=N\NC(=O)Cc1ccc(cc1)[N+](=O)[O-])/CC(=O)Nc2cccnc2 A1335/0060291
C/C(=N\NC(=O)Cc1ccc(cc1)[N+](=O)[O-])/Cn2c3ccccc3nn2 A2104/0088397
C/C(=N\NC(=O)Cc1ccc(cc1)c2ccccc2)/CC(=O)NCCc3ccc(c(c3)OC)OC A0641/0029780
C/C(=N\NC(=O)Cc1ccc(cc1)c2ccccc2)/CC(=O)NCc3ccccc3 A0641/0029761
C/C(=N\NC(=O)Cc1ccc(cc1)c2ccccc2)/CC(=O)NCc3ccccc3OC A1308/0059512
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)NCc2ccc(cc2)Cl A0644/0029920
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2cc(ccc2Cl)Cl A0449/0020710
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2ccc(cc2)C(=O)N A0449/0020715
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2ccc(cc2)OC A0642/0029807
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2cccc(c2)Br A0643/0029850
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2cccc3c2cccc3 A0643/0029884
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2ccccc2 A0641/0029756
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2ccccc2Br A0643/0029847
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2ccccc2OC A0642/0029803
C/C(=N\NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)Nc2ccccc2[N+](=O)[O-] A0643/0029866
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/CC(=O)Nc3ccc(c(c3)Cl)Cl A0623/0028907
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc(c(c3)[N+](=O)[O-])OC A0489/0022666
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc(cc3)Br A0469/0021718
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc(cc3OC)OC A0777/0036352
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc4c(c3)CCCC4 A0995/0046559
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc4c(c3)OCCO4 A0488/0022645
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc4c5c3cccc5CC4 A0488/0022643
C/C(=N\NC(=O)Cc1cccc2c1cccc2)/c3ccc4ccccc4c3 A0488/0022606
C/C(=N\NC(=O)Cc1ccccc1)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0623/0028899
C/C(=N\NC(=O)Cc1ccccc1)/CC(=O)Nc2ccc(cc2)F A0620/0028737
C/C(=N\NC(=O)Cc1ccccc1)/c2ccc(cc2)OCc3ccc(cc3)Cl A0639/0029657
C/C(=N\NC(=O)Cc1ccccc1)/c2ccc(cc2)[N+](=O)[O-] A0944/0044209
C/C(=N\NC(=O)Cc1ccccc1)/c2ccc(cc2OC)OC A0643/0029846
C/C(=N\NC(=O)Cc1csc(n1)N)/CC(=O)Nc2ccc(cc2)C(=O)N A1309/0059525
C/C(=N\NC(=O)Cn1c2ccccc2nn1)/c3ccc(cc3)Br A0336/0015450
C/C(=N\NC(=O)N)/C(C)(C)CC(=O)O A1546/0067269
C/C(=N\NC(=O)N)/CCc1ccc(cc1)O A1355/0061131
C/C(=N\NC(=O)OC(C)(C)C)/CC(=O)NC1CCCC1 A1536/0066816
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)NCCc2ccccc2 A0477/0022079
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2cc(ccc2OC)OC A0480/0022240
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2ccc(cc2)C(=O)N A1389/0062111
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2ccc(cc2)Cl A0480/0022250
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2ccc(cc2OC)OC A0480/0022236
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2ccc3ccccc3c2 A0477/0022110
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2cccc(c2)Cl A0480/0022248
C/C(=N\NC(=O)OCc1ccc(cc1)OC)/CC(=O)Nc2ccccc2Cl A0480/0022247
C/C(=N\NC(=O)c1c(cccc1F)F)/Cn2nc(nn2)[N+](=O)[O-] A2104/0088392
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)CN3CCCCC3)/c4cccnc4 A1378/0061710
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)CN3CCCCCC3)/c4ccc(cc4)Br A1537/0066844
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)CN3CCOCC3)/c4ccccc4O A1545/0067216
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)CN3CCOCC3)/c4cccnc4 A1409/0062999
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)CN3CCOCC3)/c4cccs4 A1442/0063873
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3ccc(c(c3)Cl)Cl A1195/0055047
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3ccc(cc3)[N+](=O)[O-] A1322/0059884
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3ccccc3 A1322/0059881
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3ccccc3O A1564/0068157
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3cccs3 A2104/0088399
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)COC)/c3ccncc3 A1564/0068155
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccc(cc3)[N+](=O)[O-])/c4ccc(c(c4)Cl)Cl A1431/0063611
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)c5ccccc5 A1857/0078142
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3cccc(c3)[N+](=O)[O-])/c4ccc5ccccc5c4O A1856/0078123
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3cccc(c3)[N+](=O)[O-])/c4cccnc4 A1462/0064465
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/CN4C(=O)c5ccccc5C4=O A1534/0066706
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(c(c4)Cl)Cl A1121/0052565
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(c(c4)F)F A1234/0056774
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)Br A1468/0064759
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)Cl A1231/0056707
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)F A1191/0054961
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)N A1233/0056734
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)O A1232/0056717
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)[N+](=O)[O-] A1190/0054935
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4)c5ccccc5 A1589/0068949
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccc(cc4F)F A1234/0056777
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4cccc(c4)[N+](=O)[O-] A1233/0056757
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccccc4 A1122/0052579
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccccc4O A1287/0058682
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4cccnc4 A1190/0054931
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4ccco4 A1386/0061927
C/C(=N\NC(=O)c1c(n(nn1)c2c(non2)N)c3ccccc3)/c4cccs4 A1534/0066708
C/C(=N\NC(=O)c1c(non1)N)/c2ccc(cc2)Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5 A2090/0087894
C/C(=N\NC(=O)c1cc(c(c(c1)OC)OC)OC)/c2ccc(cc2)N A0255/0011534
C/C(=N\NC(=O)c1cc(c(c(c1)OC)OC)OC)/c2ccccc2 A0791/0037064
C/C(=N\NC(=O)c1cc(c(cn1)C(=O)N/N=C(\C)/c2ccccc2)c3ccccc3)/c4ccccc4 A4059/0173022
C/C(=N\NC(=O)c1cc(cc(c1)OC)OC)/CC(=O)NC2CCCCC2 A0573/0026418
C/C(=N\NC(=O)c1cc(cc(c1)OC)OC)/CC(=O)Nc2cc(ccc2Cl)C(F)(F)F A0905/0042497
C/C(=N\NC(=O)c1cc(cc(c1)OC)OC)/CC(=O)Nc2ccc(cc2)C(=O)N A0256/0011585
C/C(=N\NC(=O)c1cc(cc(c1)[N+](=O)[O-])N)/CC(=O)Nc2ccc(cc2)NC(=O)C A0569/0026245
C/C(=N\NC(=O)c1cc(cc(c1)[N+](=O)[O-])N)/CC(=O)Nc2ccccc2Br A0646/0030023
C/C(=N\NC(=O)c1cc(ccc1O)Cl)/CC(=O)N(C)c2ccccc2 A0499/0023174
C/C(=N\NC(=O)c1cc(cnc1)Br)/c2ccc(cc2OC)OC A0105/0004539
C/C(=N\NC(=O)c1cc(n(n1)C)Cl)/Cn2cnc(n2)[N+](=O)[O-] A2104/0088409
C/C(=N\NC(=O)c1cc2ccccc2cc1O)/CC(=O)Nc3ccc(c(c3)Cl)Cl A0623/0028880
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)N(C)c2ccccc2 A1226/0056546
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)NC(C)(C)C A0449/0020741
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2ccc(c(c2)Cl)Cl A0648/0030085
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2ccc(cc2)C(=O)N A0648/0030121
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2ccc(cc2)Cl A0647/0030074
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2ccc(cc2Cl)Cl A0647/0030079
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2cccc(c2)C(F)(F)F A0646/0030024
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2cccc(c2)OC A0647/0030041
C/C(=N\NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-])/CC(=O)Nc2ccccc2[N+](=O)[O-] A0648/0030108
C/C(=N\NC(=O)c1ccc(c(c1)F)F)/c2ccc(c(c2)F)N3CCCCC3 A1315/0059697
C/C(=N\NC(=O)c1ccc(c(c1)O)O)/CC(=O)N2CCN(CC2)C A0262/0011889
C/C(=N\NC(=O)c1ccc(c(c1)OC)OC)/c2ccc(cc2)N A0446/0020561
C/C(=N\NC(=O)c1ccc(c(c1)OC)OC)/c2cccc(c2)N A0156/0006964
C/C(=N\NC(=O)c1ccc(cc1)Br)/C=C/c2ccccc2F A0643/0029885
C/C(=N\NC(=O)c1ccc(cc1)Br)/CC(=O)Nc2ccc(cc2)Br A1078/0050590
C/C(=N\NC(=O)c1ccc(cc1)Br)/CC(=O)Nc2ccc(cc2)F A0618/0028662
C/C(=N\NC(=O)c1ccc(cc1)Br)/CC(=O)Nc2ccccc2C(F)(F)F A0753/0035205
C/C(=N\NC(=O)c1ccc(cc1)Br)/Cn2c3ccccc3nn2 A2104/0088398
C/C(=N\NC(=O)c1ccc(cc1)Br)/c2ccc(cc2)OCc3ccc(cc3)Cl A0638/0029631
C/C(=N\NC(=O)c1ccc(cc1)Br)/c2ccc(cc2)c3ccccc3 A1136/0053119
C/C(=N\NC(=O)c1ccc(cc1)Br)/c2ccc(cc2OC)OC A1136/0053120
C/C(=N\NC(=O)c1ccc(cc1)C(C)(C)C)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0622/0028834
C/C(=N\NC(=O)c1ccc(cc1)C(C)(C)C)/CC(=O)Nc2ccc(cc2)Br A1078/0050593
C/C(=N\NC(=O)c1ccc(cc1)C(C)(C)C)/CC(=O)Nc2ccc(cc2)NC(=O)C A1336/0060296
C/C(=N\NC(=O)c1ccc(cc1)CN2CCc3ccccc3C2)/c4ccc(cc4)NC(=O)C A1492/0065513
C/C(=N\NC(=O)c1ccc(cc1)CN2CCc3ccccc3C2)/c4ccc(cc4)NC(=O)c5ccccc5 A1492/0065527
C/C(=N\NC(=O)c1ccc(cc1)CN2CCc3ccccc3C2)/c4ccc5c(c4)OCCO5 A1492/0065524
C/C(=N\NC(=O)c1ccc(cc1)CN2CCc3ccccc3C2)/c4ccccc4O A1665/0070971
C/C(=N\NC(=O)c1ccc(cc1)Cl)/C=C/c2ccccc2F A0643/0029883
C/C(=N\NC(=O)c1ccc(cc1)Cl)/CC(=O)Nc2ccc(cc2)Br A1077/0050576
C/C(=N\NC(=O)c1ccc(cc1)Cl)/c2ccc(c(c2)OC)OC A0283/0012846
C/C(=N\NC(=O)c1ccc(cc1)Cl)/c2ccc(cc2)Cl A0624/0028948
C/C(=N\NC(=O)c1ccc(cc1)F)/CC(=O)Nc2ccc(cc2)Br A1077/0050578
C/C(=N\NC(=O)c1ccc(cc1)F)/CC(=O)Nc2ccc(cc2)F A0618/0028644
C/C(=N\NC(=O)c1ccc(cc1)F)/c2ccc(c(c2)F)N3CCCCC3 A1702/0072468
C/C(=N\NC(=O)c1ccc(cc1)I)/CC(=O)Nc2ccc(cc2)F A0619/0028668
C/C(=N\NC(=O)c1ccc(cc1)I)/CC(=O)Nc2ccc(cc2F)F A0289/0013158
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)NC23CC4CC(C2)CC(C4)C3 A1310/0059580
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)NC2CCCC2 A1436/0063720
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)Nc2ccc(cc2)C(=O)N A0483/0022370
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)Nc2ccc(cc2)Cl A0482/0022347
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)Nc2ccc(cc2OC)OC A0499/0023145
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)Nc2cccc(c2)C(F)(F)F A0482/0022316
C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C)/CC(=O)Nc2ccccc2NC(=O)C A1532/0066616
C/C(=N\NC(=O)c1ccc(cc1)O)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0447/0020605
C/C(=N\NC(=O)c1ccc(cc1)O)/CC(=O)Nc2ccc(cc2F)F A0720/0033542
C/C(=N\NC(=O)c1ccc(cc1)OC)/CC(=O)NCc2ccccc2OC A1310/0059585
C/C(=N\NC(=O)c1ccc(cc1)OC)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0623/0028870
C/C(=N\NC(=O)c1ccc(cc1)OC)/CC(=O)Nc2ccc(cc2)Br A1078/0050592
C/C(=N\NC(=O)c1ccc(cc1)OC)/c2ccc(c(c2)OC)OC A0450/0020780
C/C(=N\NC(=O)c1ccc(cc1)OC)/c2ccc(cc2)OCc3ccc(cc3)Cl A0639/0029664
C/C(=N\NC(=O)c1ccc(cc1)OCc2ccccc2)/c3ccc(cc3)C(C)(C)C A0776/0036304
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/CC(=O)NCC=C A1077/0050566
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/CC(=O)Nc2ccc(cc2)F A0619/0028709
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/CC(=O)Nc2ccc(cc2F)F A0719/0033540
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/CCO A1324/0059923
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/c2ccc(cc2)OC A0604/0027957
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/c2ccc(cc2)c3ccccc3 A0604/0027937
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/c2ccc3ccccc3c2O A0617/0028611
C/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/c2ccccc2 A0604/0027938
C/C(=N\NC(=O)c1ccc(cc1)c2ccccc2)/CC(=O)NC34CC5CC(C3)CC(C5)C4 A1534/0066711
C/C(=N\NC(=O)c1ccc(cc1Cl)Cl)/CC(=O)Nc2ccc(cc2)Br A1078/0050585
C/C(=N\NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])/CC(=O)NC2CCCC2 A1308/0059511
C/C(=N\NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])/c2ccc(cc2O)O A1926/0081000
C/C(=N\NC(=O)c1ccc(cc1F)F)/c2ccc(c(c2)F)N3CCCCC3 A1261/0057672
C/C(=N\NC(=O)c1ccc(cc1O)O)/c2ccc(cc2Cl)Cl A1718/0073260
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0448/0020691
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2ccc(cc2)Br A0639/0029646
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2ccc(cc2)I A0638/0029637
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2ccc(cc2)N(C)C A0638/0029628
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2cccc(c2)Br A0639/0029651
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2cccc(c2)I A0638/0029639
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2ccccc2 A0569/0026247
C/C(=N\NC(=O)c1ccc(cc1OC)OC)/CC(=O)Nc2ccccc2Br A0639/0029655
C/C(=N\NC(=O)c1ccc(cc1OCc2ccccc2)OCc3ccccc3)/c4cccc(c4)[N+](=O)[O-] A0520/0024082
C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)/c3ccc(c(c3)[N+](=O)[O-])OC A0464/0021468
C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)/c3ccc(cc3)OC A0464/0021471
C/C(=N\NC(=O)c1cccc(c1)Br)/C=C/c2ccccc2F A0644/0029890
C/C(=N\NC(=O)c1cccc(c1)Br)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0622/0028852
C/C(=N\NC(=O)c1cccc(c1)Br)/CC(=O)Nc2ccc(cc2)Br A1077/0050569
C/C(=N\NC(=O)c1cccc(c1)Br)/CC(=O)Nc2ccc(cc2)F A0618/0028661
C/C(=N\NC(=O)c1cccc(c1)Br)/c2ccc(c(c2)OC)OC A0283/0012836
C/C(=N\NC(=O)c1cccc(c1)Br)/c2ccc(c(c2)[N+](=O)[O-])OC A0487/0022562
C/C(=N\NC(=O)c1cccc(c1)Cl)/C=C/c2ccccc2F A0644/0029898
C/C(=N\NC(=O)c1cccc(c1)Cl)/CC(=O)Nc2cc3c(cc2OC)c4ccccc4o3 A0754/0035230
C/C(=N\NC(=O)c1cccc(c1)Cl)/CC(=O)Nc2ccc(cc2)Br A1077/0050568
C/C(=N\NC(=O)c1cccc(c1)Cl)/CC(=O)Nc2ccc(cc2)F A0618/0028650
C/C(=N\NC(=O)c1cccc(c1)Cl)/c2cccs2 A2046/0086046
C/C(=N\NC(=O)c1cccc(c1)F)/C=C/c2ccccc2F A0644/0029894
C/C(=N\NC(=O)c1cccc(c1)F)/CC(=O)NCC2CCCO2 A0752/0035154
C/C(=N\NC(=O)c1cccc(c1)F)/CC(=O)Nc2ccc(cc2)F A0446/0020580
C/C(=N\NC(=O)c1cccc(c1)F)/c2ccc(c(c2)OC)OC A2049/0086160
C/C(=N\NC(=O)c1cccc(c1)I)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0622/0028856
C/C(=N\NC(=O)c1cccc(c1)I)/CC(=O)Nc2ccc(cc2)F A0619/0028667
C/C(=N\NC(=O)c1cccc(c1)I)/c2cccc(c2)N A1671/0071249
C/C(=N\NC(=O)c1cccc(c1)NC(=O)c2ccccc2F)/c3ccc(cc3)Br A0796/0037297
C/C(=N\NC(=O)c1cccc(c1)O)/CC(=O)Nc2ccc(cc2)Br A1078/0050597
C/C(=N\NC(=O)c1cccc(c1)O)/CC(=O)Nc2ccc(cc2)F A0619/0028678
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/C2CC2 A0819/0038376
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/CC(=O)NCC=C A1077/0050565
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/CC(=O)NCc2ccccc2OC A1308/0059500
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/CC(=O)Nc2ccc(cc2)F A0619/0028704
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/Cn2nc(nn2)[N+](=O)[O-] A0108/0004692
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/c2ccc(cc2)NS(=O)(=O)c3ccccc3[N+](=O)[O-] A1570/0068483
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/c2ccccc2 A1547/0067318
C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/c2cccnc2 A1385/0061899
C/C(=N\NC(=O)c1cccc2c1cccc2)/CC(=O)Nc3ccc(c(c3)Cl)Cl A0623/0028878
C/C(=N\NC(=O)c1cccc2c1cccc2)/CC(=O)Nc3ccc(cc3)Br A1078/0050582
C/C(=N\NC(=O)c1cccc2c1cccc2)/CC(=O)Nc3ccc(cc3)F A0620/0028714
C/C(=N\NC(=O)c1cccc2c1cccc2)/CC(=O)Nc3ccc(cc3F)F A0753/0035186
C/C(=N\NC(=O)c1ccccc1)/C=C/c2ccc3c(c2)OCO3 A1565/0068224
C/C(=N\NC(=O)c1ccccc1)/C=C/c2ccccc2F A1140/0053285
C/C(=N\NC(=O)c1ccccc1)/CC(=O)NCC=C A1077/0050563
C/C(=N\NC(=O)c1ccccc1)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0622/0028822
C/C(=N\NC(=O)c1ccccc1)/CC(=O)Nc2ccc(cc2)Br A1078/0050598
C/C(=N\NC(=O)c1ccccc1)/CC(=O)Nc2ccc(cc2)F A0618/0028622
C/C(=N\NC(=O)c1ccccc1)/Cn2c3ccccc3nn2 A1234/0056772
C/C(=N\NC(=O)c1ccccc1)/c2ccc(c(c2)OC)OC A0571/0026315
C/C(=N\NC(=O)c1ccccc1)/c2ccc(cc2)N A0616/0028532
C/C(=N\NC(=O)c1ccccc1)/c2ccc(cc2)c3ccccc3 A0604/0027947
C/C(=N\NC(=O)c1ccccc1)/c2ccc3ccccc3c2O A0617/0028609
C/C(=N\NC(=O)c1ccccc1)/c2cccc(c2)N A0616/0028536
C/C(=N\NC(=O)c1ccccc1)/c2ccco2 A0604/0027941
C/C(=N\NC(=O)c1ccccc1Br)/CC(=O)Nc2ccc(cc2)Br A1078/0050595
C/C(=N\NC(=O)c1ccccc1Br)/c2ccc(s2)Cl A2011/0084458
C/C(=N\NC(=O)c1ccccc1Cl)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0622/0028844
C/C(=N\NC(=O)c1ccccc1F)/CC(=O)Nc2ccc(cc2)Br A1078/0050594
C/C(=N\NC(=O)c1ccccc1F)/c2ccc(cc2)/C(=N/NC(=O)c3ccccc3F)/C A1275/0058319
C/C(=N\NC(=O)c1ccccc1I)/CC(=O)Nc2ccc(cc2)Br A1077/0050560
C/C(=N\NC(=O)c1ccccc1N)/CC(=O)Nc2ccc(cc2)F A1139/0053256
C/C(=N\NC(=O)c1ccccc1O)/CC(=O)Nc2ccc(c(c2)Cl)Cl A0193/0008548
C/C(=N\NC(=O)c1ccccc1O)/CC(=O)Nc2ccc(cc2)Br A1078/0050584
C/C(=N\NC(=O)c1ccccc1O)/c2ccc(cc2)NC(=O)c3ccc(c(c3)OC)OC A0931/0043569
C/C(=N\NC(=O)c1ccccc1O)/c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)C(C)(C)C A0855/0040050
C/C(=N\NC(=O)c1ccccc1O)/c2ccc3ccccc3c2O A0157/0007005
C/C(=N\NC(=O)c1ccccc1OC)/CC(=O)NCc2cccnc2 A1140/0053294
C/C(=N\NC(=O)c1ccccc1OC)/CC(=O)Nc2ccc(cc2)Br A1078/0050589
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])/CC(=O)Nc2ccc(cc2Cl)Cl A0618/0028648
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])/c2ccccc2O A0709/0033105
C/C(=N\NC(=O)c1ccccn1)/c2ccc(cc2)/C(=N/NC(=O)c3ccccn3)/C A1275/0058317
C/C(=N\NC(=O)c1cccnc1)/c2ccc(cc2)[N+](=O)[O-] A0604/0027968
C/C(=N\NC(=O)c1cccnc1)/c2ccc(cc2O)O A1206/0055569
C/C(=N\NC(=O)c1ccco1)/c2[nH]c3ccccc3n2 A2024/0084957
C/C(=N\NC(=O)c1cccs1)/Cc2cc3c(c(c2OC)OC)OCO3 A4363/0186211
C/C(=N\NC(=O)c1ccn(n1)C)/C2=C(c3ccccc3C2=O)O A1874/0078832
C/C(=N\NC(=O)c1ccn(n1)C)/c2ccco2 A1855/0078110
C/C(=N\NC(=O)c1ccncc1)/Cn2nc(nn2)[N+](=O)[O-] A1588/0068943
C/C(=N\NC(=O)c1ccncc1)/c2c([nH]c(=O)[nH]c2=O)O A2820/0119116
C/C(=N\NC(=O)c1cnccn1)/CC(=O)Nc2c(cccc2Cl)C(F)(F)F A0230/0010348
C/C(=N\NC(=O)c1cnccn1)/CC(=O)Nc2ccccc2C(F)(F)F A0229/0010345
C/C(=N\NC(=S)N)/CC1CC(OC1=O)(C)C A0600/0027750
C/C(=N\NC(=S)N)/c1[nH]c2ccccc2n1 A1873/0078824
C/C(=N\NC(=S)N)/c1ccc(cc1)Br A0769/0035983
C/C(=N\NC(=S)N)/c1ccc(cc1)[N+](=O)[O-] A0769/0035988
C/C(=N\NC(=S)N)/c1ccc(s1)Cl A2880/0121409
C/C(=N\NS(=O)(=O)Cc1ccccc1)/c2ccc(cc2)NC(=O)c3ccc(c(c3)OC)OC A0931/0043568
C/C(=N\Nc1[nH]nc(c(=O)n1)Cc2ccc(c(c2)OC)OC)/c3ccc(cc3)[N+](=O)[O-] A1379/0061733
C/C(=N\Nc1[nH]nc(c(=O)n1)Cc2ccccc2)/c3ccc(cc3)[N+](=O)[O-] A1337/0060319
C/C(=N\Nc1[nH]nc(c(=O)n1)Cc2ccccc2)/c3ccc(cc3O)O A1294/0058840
C/C(=N\Nc1c(c(c(c(n1)Cl)C#N)Cl)Cl)/c2ccc(cc2)Cl A1049/0049164
C/C(=N\Nc1c(c(ns1)SC)C#N)/c2ccc(c(c2)OC)OC A2038/0085656
C/C(=N\Nc1c(cc(cc1Cl)Cl)Cl)/C(=O)OC A3473/0147273
C/C(=N\Nc1c(cc(cc1Cl)Cl)Cl)/c2ccc(cc2Cl)Cl A1718/0073257
C/C(=N\Nc1c(cc(cc1Cl)Cl)Cl)/c2ccc(s2)Cl A1717/0073250
C/C(=N\Nc1c(cc(cc1Cl)Cl)Cl)/c2cccnc2 A1736/0073753
C/C(=N\Nc1c2ccccc2c(nn1)Cl)/c3ccccc3 A1459/0064312
C/C(=N\Nc1ccc(cc1)F)/c2ccc(c(c2)F)N3CCN(CC3)C(=O)c4cc(c(cc4Cl)F)F A2599/0110494
C/C(=N\Nc1ccc(cc1)F)/c2ccc(c(c2)F)N3CCN(CC3)C(=O)c4ccc(cc4)F A1965/0082649
C/C(=N\Nc1ccc(cc1)F)/c2ccc(c(c2)F)N3CCN(CC3)CCC#N A1933/0081383
C/C(=N\Nc1ccc(cc1)F)/c2ccc(c(c2)F)N3CCOCC3 A1933/0081351
C/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c2ccc3ccccc3c2O A0947/0044373
C/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c2ccco2 A2134/0089604
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/c2cccs2 A2126/0089225
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=N/OC(=O)c2ccccc2 A2262/0095278
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/Cn2nc(c([n+]2[O-])[N+](=O)[O-])[N+](=O)[O-] A2262/0095285
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/Nc2cccc(c2)OC A0989/0046266
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c2ccc(c(c2)[N+](=O)[O-])OC A0537/0024770
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c2ccc(cc2)OCc3ccc(cc3)Cl A0651/0030264
C/C(=N\Nc1ccc2ccccc2n1)/c3ccc(cc3)Cl A1555/0067731
C/C(=N\Nc1ccc2ccccc2n1)/c3ccc(cc3)N A1295/0058884
C/C(=N\Nc1cccc2c1cccc2)/c3ccc(cc3)Cl A0569/0026221
C/C(=N\Nc1ccccc1)/c2ccc(c(c2)F)N3CCN(CC3)C A2593/0110358
C/C(=N\Nc1ccccc1)/c2ccc(cc2)c3ccccc3 A0604/0027935
C/C(=N\Nc1ccccc1)/c2ccc3ccccc3c2O A0948/0044377
C/C(=N\Nc1ccccc1)/c2ccccn2 A0951/0044488
C/C(=N\Nc1ccccc1Br)/c2ccc(cc2)c3ccccc3 A0446/0020568
C/C(=N\Nc1nc(cc(n1)c2ccccc2O)c3ccc(cc3)Br)/c4ccccc4 A1811/0076553
C/C(=N\Nc1nc(cs1)c2ccc(cc2)Cl)/c3ccc(cc3)C(C)(C)C A1472/0064944
C/C(=N\Nc1nc(cs1)c2ccc(cc2)Cl)/c3ccc(cc3)c4ccccc4 A1385/0061880
C/C(=N\Nc1nc(cs1)c2ccc(cc2)O)/c3ccc(c(c3)[N+](=O)[O-])OC A0252/0011401
C/C(=N\Nc1nc(cs1)c2ccccc2)/c3ccc(cc3)[N+](=O)[O-] A1037/0048613
C/C(=N\Nc1nc(nc(n1)N(C)C)N2CCOCC2)/c3ccc(cc3)Cl A0683/0031845
C/C(=N\Nc1nc(nc(n1)N(C)C)N2CCOCC2)/c3ccc(cc3)[N+](=O)[O-] A0681/0031713
C/C(=N\Nc1nc(nc(n1)N(C)C)NCc2ccccc2)/c3ccc(cc3)NC(=O)C A1339/0060459
C/C(=N\Nc1nc(nc(n1)N2CCCC2)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)[N+](=O)[O-] A0421/0019456
C/C(=N\Nc1nc(nc(n1)N2CCCC2)Nc3ccc(cc3)[N+](=O)[O-])/c4ccccc4 A0421/0019458
C/C(=N\Nc1nc(nc(n1)N2CCCC2)Nc3ccccc3)/c4ccc(cc4)[N+](=O)[O-] A0248/0011199
C/C(=N\Nc1nc(nc(n1)N2CCCCC2)N3CCCCC3)/c4ccc(cc4)Br A0635/0029489
C/C(=N\Nc1nc(nc(n1)N2CCCCCC2)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)F A0106/0004619
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)NCc3ccccc3)/c4ccc(cc4)NC(=O)C A1181/0054706
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)NCc3ccccc3)/c4ccc(cc4)NC(=O)C A1300/0059112
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)[N+](=O)[O-] A0320/0014682
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3ccc(cc3)[N+](=O)[O-])/c4ccccc4 A0300/0013671
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3cccc(c3)Br)/c4ccc(cc4)Cl A0420/0019412
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3cccc(c3)Br)/c4ccc(cc4)[N+](=O)[O-] A0420/0019431
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3cccc(c3)[N+](=O)[O-])/c4ccc(cc4)[N+](=O)[O-] A0674/0031402
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3cccc4c3cccc4)/c5ccc(cc5)Br A0323/0014802
C/C(=N\Nc1nc(nc(n1)N2CCOCC2)Nc3cccc4c3cccc4)/c5ccc(cc5)NC(=O)C A1129/0052742
C/C(=N\Nc1nc(nc(n1)Nc2ccc(cc2)OC)NCc3ccco3)/c4ccc(cc4)NC(=O)C A1777/0075331
C/C(=N\Nc1nc(nc(n1)Nc2ccc(cc2)OC)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)Cl A0414/0019142
C/C(=N\Nc1nc(nc(n1)Nc2ccc(cc2)OC)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)F A0415/0019152
C/C(=N\Nc1nc(nc(n1)Nc2ccc(cc2)OC)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)N A0414/0019121
C/C(=N\Nc1nc(nc(n1)Nc2ccc(cc2)OC)Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)[N+](=O)[O-] A0413/0019064
C/C(=N\Nc1nc(nc(n1)Nc2ccc(cc2)OC)Nc3ccccc3)/c4ccc(cc4)Cl A0575/0026516
C/C(=N\Nc1nc(nc(n1)Nc2ccccc2)NCc3ccccc3)/c4ccc(cc4)Br A0985/0046028
C/C(=N\Nc1nc(nc(n1)Nc2ccccc2)Nc3ccccc3)/c4ccc(cc4)NC(=O)C A1298/0059029
C/C(=N\Nc1nc2ccccc2s1)/N=N/c3ccc(cc3)Cl A2013/0084527
C/C(=N\Nc1nc2ccccc2s1)/c3ccc(cc3)Br A1404/0062740
C/C(=N\Nc1nc2ccccc2s1)/c3ccc(cc3)Cl A1470/0064857
C/C(=N\Nc1nc2ccccc2s1)/c3ccc(cc3)O A1470/0064852
C/C(=N\Nc1nc2ccccc2s1)/c3ccc(cc3)[N+](=O)[O-] A1470/0064855
C/C(=N\Nc1nc2ccccc2s1)/c3cccc(c3)[N+](=O)[O-] A1470/0064856
C/C(=N\O)/CC1c2c(c3ccccc3n2C)N(C(=C1C#N)N(C)C)c4ccc(cc4)[N+](=O)[O-] A3731/0158137
C/C(=N\O)/COc1ccc(cc1)Cl A4160/0177229
C/C(=N\O)/Cc1cc(c2c(c1OC)OCO2)OC A4405/0188030
C/C(=N\O)/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C A0791/0037031
C/C(=N\O)/c1cc(c(cc1Cc2c3cc(c(cc3ccn2)OC)OC)OC)OC A4211/0179281
C/C(=N\OC(=O)C)/[C@@]12CC1CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C A1534/0066691
C/C(=N\OC(=O)CCc1ccccc1)/c2ccccn2 A1496/0065619
C/C(=N\OC(=O)c1c(c2ccccc2s1)Cl)/c3ccc(cc3)F A1953/0082124
C/C(=N\OC(=O)c1c(cccc1F)F)/c2ccc(cc2F)F A1442/0063889
C/C(=N\OC(=O)c1cc(c(c(c1)OC)OC)OC)/c2ccc(cc2)Cl A1953/0082123
C/C(=N\OC(=O)c1cc(c(cc1Cl)F)F)/Cn2c3ccccc3nn2 A1895/0079551
C/C(=N\OC(=O)c1ccc(cc1)F)/c2ccc(c(c2)F)N3CCCCC3 A1437/0063752
C/C(=N\OC(=O)c1ccc(cc1F)F)/c2ccc(cc2F)F A1442/0063888
C/C(=N\OC(=O)c1cccc(c1)Br)/c2ccc(cc2)N3C(=O)C4CCCCC4C3=O A2803/0118486
C/C(=N\OC(=O)c1ccccc1)/c2cccs2 A2104/0088391
C/C(=N\OC(=O)c1ccccc1F)/c2ccc(c(c2)F)N3CCCCC3 A1442/0063890
C/C(=N\OC(=O)c1ccco1)/c2cccs2 A2104/0088393
C/C(=N\OC)/C12C(CC3[C@@]1(CCC4C3CC=C5[C@@]4(CCC(C5)OC(=O)C)C)C)C(=NO2)C(=O)OC A0847/0039675
C/C(=N\S(=O)(=O)c1ccc(cc1)Cl)/Nc2ccc(cc2)O A3896/0165721
C/C(=N\c1c(c2c(s1)CCCC2)C#N)/Cn3nc(nn3)[N+](=O)[O-] A0180/0008110
C/C(=N\c1c(c2c(s1)CCCC2)C#N)/c3ccc(s3)Cl A1726/0073454
C/C(=N\c1ccc(cc1)Cl)/c2c([nH]n(c2=O)c3nc4ccccc4s3)CSc5ccc(cc5)Cl A2658/0113296
C/C(=N\c1ccc(cc1)[N+](=O)[O-])/N A2067/0086964
C/C(=N\c1ccccc1)/C2=C(C=C(CC2c3ccc(cc3)Br)c4ccccc4)O A2867/0120862
C/C(=N\c1ccccc1)/C2=C(C=C(CC2c3ccccc3)c4ccccc4)O A2873/0121060
C/C(=N\c1ccccc1)/C2=C(C=C(CC2c3ccccc3)c4ccco4)O A2873/0121061
C/C(=N\c1ccccc1)/C2=C(C=C(CC2c3ccco3)c4ccco4)O A2867/0120863
C/C(=N\c1ccccc1C(=O)C(=O)O)/c2ccc(c(c2)O)O A3310/0140693
C/C(=N\n1c(nnn1)Nc2ccccc2)/c3ccc(cc3)N A0693/0032315
C/C=C(\C)/C(=O)OC1c2c(ccc3c2oc(=O)cc3)OC(C1OC(=O)C)(C)C A1784/0075598
C/C=C/1\C(C(C(=C(N1c2ccc(c(c2)Cl)F)N)C#N)(C(F)(F)F)C(F)(F)F)C A4206/0179021
C/C=C/1\C(C(C(=C(N1c2ccc(cc2)C(F)(F)F)N)C#N)(C(F)(F)F)C(F)(F)F)C A4206/0179020
C/C=C/1\C(C(C(=C(N1c2ccccc2F)N)C#N)(C(F)(F)F)C(F)(F)F)C A4206/0179019
C/C=C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C2=CCCCC2 A0610/0028233
C/C=C/C(=O)N1c2cc(c(cc2C(=CC1(C)C)C)C)C A2053/0086346
C/C=C/C(=O)NC(=S)NNC(=O)C(Oc1ccccc1)Oc2ccccc2 A1554/0067686
C/C=C/C(=O)Nc1nnc(s1)C A1577/0068656
C/C=C/C(=O)Oc1ccc(cc1OC)/C=C/2\C(=O)OC(=N2)c3ccc(cc3)Cl A2770/0117377
C/C=C/C(=O)Oc1ccccc1/C=C/2\C(=O)OC(=N2)c3ccc(cc3)Cl A2770/0117378
C/C=C/C(C)c1cc(ccc1O)OC A1238/0056873
C/C=C/C1(CCCCC1)NCCc2ccccc2 A3374/0143217
C/C=C/C1(CCCCN1)CC=C A3103/0131373
C/C=C/C1C(C(=O)C2(CCCCC2)C(=O)O1)(C)C A2269/0095617
C/C=C/C1C(C2(C3CCCCC3(O1)OC2=N)C#N)(C#N)C#N A3289/0139979
C/C=C/C1Nc2ccccc2C(O1)(c3ccccc3)c4ccccc4 A1064/0049894
C/C=C/C=C/C(=O)Nc1ccc(cc1)C A4424/0188907
C/C=C/C=C/C(=O)Nc1ccc(cc1)Oc2ccc(c(c2)C(=O)O)C(=O)O A0966/0045129
C/C=C/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)/C=C/C=C/C A0360/0016638
C/C=C/C=C/C(=O)Nc1ccc(cc1)c2[nH]c3ccc(cc3n2)NC(=O)/C=C/C=C/C A1205/0055490
C/C=C/C=C/C(=O)Nc1ccc(cc1C#N)Cc2ccc(c(c2)C#N)NC(=O)/C=C/C=C/C A0518/0023965
C/C=C/C=C/C(=O)Nc1cccc(c1)C(=O)c2ccc(c(c2)C)C A1205/0055485
C/C=C/C=C\1/C(=O)OC(=N1)c2ccc(cc2)Cl A3257/0138424
C/C=C/C=C\1/C(=O)OC(=N1)c2cccc(c2)Br A3257/0138452
C/C=C/C=N/NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F A0725/0033787
C/C=C/C=N/NC(=O)C(CSCc1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-] A0619/0028672
C/C=C/C=N/NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C A0724/0033779
C/C=C/C=N/NC(=O)c1c(n(nn1)c2c(non2)N)CN3CCOCC3 A1248/0057120
C/C=C/COC(=O)C1=C(NC(=O)NC1c2cc(c(c(c2)Br)O)OC)C A1800/0076137
C/C=C/COC(=O)C1=C(NC(=O)NC1c2cc(c(c(c2)Cl)O)OC)C A1774/0075196
C/C=C/COC(=O)C1=C(NC(=O)NC1c2cc(c(c(c2)OC)OC)OC)C A1775/0075263
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccc(c(c2)OC)O)C A1774/0075213
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccc(c(c2)OC)OCc3ccccc3)C A1896/0079583
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccc(cc2)N(C)C)C A1774/0075184
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccc(cc2)OC)C A1774/0075189
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccc(cc2)[N+](=O)[O-])C A1775/0075262
C/C=C/COC(=O)C1=C(NC(=O)NC1c2cccc(c2)Cl)C A1771/0075060
C/C=C/COC(=O)C1=C(NC(=O)NC1c2cccc3c2cccc3)C A1736/0073771
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccccc2)C A1856/0078137
C/C=C/COC(=O)C1=C(NC(=O)NC1c2ccccc2OC(C)C)C A1792/0075922
C/C=C/CSc1nc2nc(cc(n2n1)C)C A4178/0178011
C/C=C/Cn1c2c(=O)[nH]c(=O)n(c2nc1SC/C=C(/C)\Cl)C A2183/0091763
C/C=C/Cn1c2c(=O)[nH]c(=O)n(c2nc1SCC(C)C)C A2183/0091760
C/C=C/Cn1c2c(=O)[nH]c(=O)n(c2nc1SCCC(C)C)C A2183/0091761
C/C=C/c1c(c2c(c(sc2nc1C)C#N)N)C A1276/0058378
C/C=C/c1cc(c2c(c1OC)OCO2)OC A4368/0186466
C/C=C/c1cc(c2c(c1OC)OCO2)OC ZERO/009080
C/C=C/c1cc2c(c(c1)OC)OCO2 A4399/0187765
C/C=C/c1cc2c(c(c1)OC)OCO2 ZERO/009181
C/C=C/c1cc2c(c(c1OC)OC)OCO2 A4368/0186465
C/C=C/c1cc2c(c(c1OC)OC)OCO2 ZERO/009079
C/C=C/c1ccc(c(c1)OC)OCCCn2c3ccccc3nc2CN(C)C(=O)C A4285/0182795
C/C=C/c1ccc(c(c1)OC)OCCSc2[nH]c3ccc(cc3n2)C A4277/0182381
C/C=C/c1ccc(c(c1)OC)OCCSc2[nH]c3ccccc3n2 A4275/0182282
C/C=C/c1ccc(c(c1)OC)OCCn2c(nc3c2cc(c(c3)C)C)C A4293/0183183
C/C=C/c1ccc(c(c1)OC)OCCn2c3ccccc3nc2C4CC(=O)N(C4)CC=C A4279/0182492
C/C=C/c1ccc(c(c1)OC)OCCn2c3ccccc3nc2C4CC(=O)N(C4)c5ccccc5C A4272/0182162
C/C=C/c1ccc(c(c1)OC)OCCn2c3ccccc3nc2C4CC(=O)N(C4)c5ccccc5OC A4272/0182141
C/C=C/c1ccc(c(c1)OC)OCCn2c3ccccc3nc2CN4CCOCC4 A4294/0183236
C/C=C/c1ccc(c(c1)OC)OCCn2c3ccccc3nc2CNC=O A4281/0182583
C/C=C/c1ccc(c(c1)OC)OCCn2cnc3c2cccc3 A4267/0181910
C/C=C/c1ccc(c(c1)OC)Oc2nc(nn2C)[N+](=O)[O-] A3440/0146041
C/C=C/c1ccc(c(c1)OC)Oc2nnnn2c3ccc(cc3)C(=O)N A3441/0146069
C/C=C\1/C(C(C(=C(N1c2ccc(cc2)C(=O)N)N)C#N)(C(F)(F)F)C(F)(F)F)C A2407/0101989
C/C=C\C(=O)Nc1ccc(cc1NC(=O)/C=C\C)[N+](=O)[O-] A1408/0062937
C/C=C\Cc1c(c(c(nc1C)SCC(=O)Nc2cc(cc(c2)Br)Br)C#N)C A2879/0121338
C/C=N/OC1(C(=C(C#N)C#N)C(=C(O1)N)C#N)C A4314/0184179
C/C=N/OC1(C(=C(C#N)C#N)C(=C(O1)N)C#N)C(C)(C)C A4413/0188332
C/C=N/OC1(C(=C(C#N)C#N)C(=C(O1)N)C#N)c2ccc(cc2)OC A4313/0184159
C/C=c/1\ccccc1=C(c2ccccc2)c3ccccc3 A3221/0136677
C/N=C(/Nc1cc(c(c(c1)Cl)O)Cl)\SC2CC(=O)N(C2=O)c3ccc(cc3)OC(F)(F)Cl A2270/0095651
C/N=C(/Nc1ccc(cc1)C(=O)OC)\SC2CC(=O)N(C2=O)c3ccc(cc3)OC(F)(F)Cl A2269/0095636
C/N=C(/Nc1ccc(cc1)OC(F)(F)Cl)\SC2CC(=O)N(C2=O)c3ccc(cc3)C(=O)O A2270/0095655
C/N=C(/Nc1ccc(cc1)OC(F)(F)Cl)\SC2CC(=O)N(C2=O)c3ccccc3Cl A2270/0095650
C/N=C/1\N(C(=O)/C(=C/c2cc(cc(c2OC)Cl)Cl)/S1)C A1999/0083996
C/N=C/1\N(C(=O)/C(=C/c2cc3c(cc2Br)OCO3)/S1)C A1972/0082933
C/N=C/1\N(C(=O)/C(=C/c2ccc(cc2)OCc3ccccc3F)/S1)C A2658/0113315
C/N=C/1\N(C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)/S1)C A2073/0087165
C/N=C/1\N(C(=O)/C(=C\c2ccc(cc2Cl)Cl)/S1)C A2000/0084002
C/N=C/1\N(C(=O)C(S1)CC(=O)Nc2ccc(cc2)C(=O)O)C A1906/0080086
C/N=C/1\N(C(=O)CC(S1)C(=O)Nc2ccc(cc2)C(=O)O)c3ccc(cc3)OC(F)(F)Cl A2723/0115657
C/N=C/1\N(C(=O)CC(S1)C(=O)Nc2cccc(c2)C(=O)O)C A2574/0109785
C/N=C/1\NC(=O)C(S1)CC(=O)Nc2ccc(cc2)C(=O)O A1801/0076156
C/N=C\1/N(C(=O)/C(=C/c2cc(c(c(c2)Cl)OCc3cccc(c3)I)OC)/S1)C A2717/0115485
C/N=C\1/N(C(=O)CC(S1)C(=O)Nc2ccccc2)C A2680/0114211
C/N=C\1/N(C(=O)CC(S1)C(=O)Nc2ccccc2Cl)c3ccc(cc3)OC(F)(F)Cl A2722/0115655
C/N=C\1/N(C(=O)CC(S1)C(=O)Nc2ccccc2F)C A2678/0114131
C/N=C\1/N(C(=O)CC(S1)C(=O)ON2C(=O)CCC2=O)C A3527/0149400
C/N=C\1/c2ccccc2NC1=O A2428/0102825
C/N=c/1\n(c(=O)cc(s1)C(=O)Nc2ccc(cc2)C(=O)OC)C A3545/0150267
C/N=c/1\n(c(=O)cc(s1)C(=O)Nc2cccc(c2)Cl)C A3222/0136730
C/N=c\1/n(c(=O)cc(s1)C(=O)OC)C A3585/0152126
C1(=NO)C(=NO)C(=NO)C(=NO)C(=NO)C1=NO A3266/0138891
C1(=O)C(SC(=N1)N)(C(F)(F)F)F A2322/0097945
C1(C(NC(=O)N1)NN=C(N)N)NN=C(N)N A2964/0124872
C1(C(NC(=O)N1)NNC(=N)N)NNC(=N)N A2842/0119906
C1/C(=C/NCCO)/C(=O)NC1=O A3512/0148800
C1=C(C2=NC(NC(=O)N2C=C1C(F)(F)F)(C(F)(F)F)C(F)(F)F)Cl A3262/0138703
C1=C2C(=CNc3n2nc(n3)C(F)(F)F)C(=NN=C1)O A4428/0189094
C1=CC(=O)/C(=C\2/C(=NSS2)Cl)/C=C1F A4046/0172540
C1=CC2(C(C(C1O2)(C#N)C#N)(C#N)C#N)C(C(=O)C34C=CC(O3)C(C4(C#N)C#N)(C#N)C#N)O A0354/0016336
C1=CC2=NC(NC(=O)N2C=C1Cl)(C(F)(F)F)C(F)(F)F A2457/0104257
C1=CSC2=NC(NC(=O)N21)(C(F)(F)F)C(F)(F)F A2457/0104254
C1C(=C(C#N)C#N)CSc2c(sc(=S)s2)S1 A1904/0080011
C1C(=C(C(C(C1(F)F)(F)Cl)(F)F)F)C#N A1740/0073884
C1C(=C(C2(C1(C(=C(C2)[N+](=O)[O-])N)C#N)C#N)N)[N+](=O)[O-] A2524/0107302
C1C(=CC2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)N A2305/0097172
C1C(=CC2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])C#N A3986/0169800
C1C(=NO)CSc2c(sc(=S)s2)S1 A1873/0078811
C1C(=O)CC2(CC1(CN(C2)CCO)[N+](=O)[O-])[N+](=O)[O-] A2771/0117393
C1C(=O)N(C(=N)S1)c2c(non2)N A2042/0085851
C1C(=O)N(C(=N)S1)c2c(non2)N ZERO/001437
C1C(=O)N(C(=N)S1)c2c(non2)NC=O A2363/0099856
C1C(=O)N2C(=CSC2=N1)CC(=O)O ZERO/009802
C1C(=O)N=C2C=CC=CN2C1=O A1130/0052801
C1C(=O)NC(=S)S1 A0632/0029322
C1C(=O)NCC(=O)N1 A0783/0036652
C1C(C(=O)N=C(S1)N)CC(=O)O A2309/0097364
C1C(C(=O)OC1=O)CC(=O)O A4141/0176484
C1C(C(=O)OC1=O)CC(=O)O ZERO/008197
C1C(C(C(S1)CCCCC(=O)O)N)N A4110/0175236
C1C(C(C(S1)CCCCC(=O)O)N)N ZERO/004694
C1C(C(CS1)O)NC(=O)N A4237/0180539
C1C(C1(C#N)C#N)(C#N)C#N A4053/0172860
C1C(C1(C#N)C#N)(C#N)C#N ZERO/004592
C1C(C1(C#N)C(=O)N)(C#N)C#N A4220/0179690
C1C(C1(Cl)Cl)CO A2317/0097734
C1C(C1(Cl)Cl)COCC2CO2 A2317/0097733
C1C(C1(Cl)Cl)CS(=O)(=O)CC2CC2(Cl)Cl A1252/0057224
C1C(C12C3C=CC2C4C3C(=O)OC4=O)C5CC(C5(F)F)(F)F A0065/0002819
C1C(C2COC(C1=O)O2)n3c(=S)n(nn3)CCn4c(=S)n(nn4)[C@H]5CC(=O)[C@@H]6OC[C@H]5O6 A3270/0139077
C1C(CC(CC1N)N)N A0794/0037174
C1C(CC2CC1C(C(=O)C2Br)Br)CBr A3998/0170397
C1C(CN(CC(CN1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] A1217/0056088
C1C(CN(CN1N=O)N=O)(CCl)[N+](=O)[O-] A0782/0036616
C1C(CNC1CO)O ZERO/008695
C1C(COCO1)(/N=N/c2c(non2)N)[N+](=O)[O-] A2261/0095234
C1C(CSc2c(sc(=S)s2)S1)O A1873/0078807
C1C(N1CCCC(=O)NCCO)C(=O)NCCO A0178/0008029
C1C(N1OCC(=O)N)(C(F)(F)F)C(F)(F)F A1892/0079425
C1C(N=C(N[C@H]1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CO)CO)NC(=O)CC(CCCN)N A1841/0077478
C1C(SC(=O)N1)CBr ZERO/010096
C1C(Sc2n1c(c(c(=O)n2)Br)N)CBr A3814/0161916
C1C(c2c(=O)[nH]c(nc2NC1=O)N)C(=O)O ZERO/010022
C1C/C(=C/[O-])/C(=O)C1 ZERO/008061
C1C/C(=C\2/C(=NNC2=O)N)/NC1 A3981/0169561
C1C/C(=N/O)/C2OCC1O2 A4397/0187696
C1C/C(=N\O)/C(=N/NC(=S)N)/c2c1non2 A3980/0169502
C1C/C(=N\O)/C(=O)c2c1[n+](on2)[O-] A1027/0048102
C1C/C(=N\O)/C(=O)c2c1no[n+]2[O-] A2089/0087845
C1C2(C1(C(=O)N=C2N)C#N)C#N A4170/0177709
C1C2(C1(C(=O)NC2=O)C#N)C#N A4135/0176334
C1C2(C1(C(=O)NC2=O)C#N)C#N ZERO/004813
C1C2(C=CC(O2)C(C(F)(F)F)(C(F)(F)F)O)OC(O1)(C(F)(F)F)C(F)(F)F A1726/0073467
C1C2(CN3CC1(CN(C2)C3)[N+](=O)[O-])[N+](=O)[O-] A2127/0089300
C1C2(CN3CN1CN(C2)C3)N A0026/0001242
C1C2(CN3CN1CN(C2)C3)N ZERO/000977
C1C2(CN3CN1CN(C2)C3)N ZERO/008427
C1C2(CN3CN1CN(C2)C3)SC#N A3448/0146403
C1C2C(=O)NC(=O)N2CS1 A3049/0128728
C1C2C(C(C(C(O1)O2)O)O)O A3501/0148400
C1C2C(C(C1Br)NC2(C(F)(F)F)C(F)(F)F)Br A2881/0121433
C1C2C(C(C1Br)NC2(C(F)(F)F)C(F)(F)F)Cl A2881/0121434
C1C2C(C(C1Cl)NC2(C(F)(F)F)C(F)(F)F)Br A2780/0117618
C1C2C(C(C1Cl)NC2(C(F)(F)F)C(F)(F)F)Cl A2780/0117619
C1C2C(C(C1F)NC2(C(F)(F)F)C(F)(F)F)Br A3273/0139199
C1C2C(C(C1F)NC2(C(F)(F)F)C(F)(F)F)Cl A3281/0139626
C1C2C(C(C1O)NC2(C(F)(F)F)C(F)(F)F)Cl A2780/0117620
C1C2C(C(C1OCCCl)NC2(C(F)(F)F)C(F)(F)F)Cl A2881/0121435
C1C2C(C(C1OCCO)NC2(C(F)(F)F)C(F)(F)F)Cl A2780/0117623
C1C2C(C(C1O[N+](=O)[O-])NC2(C(F)(F)F)C(F)(F)F)Cl A2886/0121645
C1C2C(C3C1N3C2(C(F)(F)F)C(F)(F)F)Br A2780/0117617
C1C2C(C3C1N3C2(C(F)(F)F)C(F)(F)F)Cl A2780/0117616
C1C2C(C3C1N3C2(C(F)(F)F)C(F)(F)F)I A2886/0121644
C1C2C(CC(C1Br)Br)C(=O)OC2=O A4198/0178714
C1C2C(CC(C1Br)Br)C(=O)OC2=O ZERO/008627
C1C2C(CS1(=O)=O)NC(=O)N2 A4428/0189075
C1C2C(CS1(=O)=O)SC(=S)N2 A4116/0175505
C1C2C(O2)CS1(=O)=O A4419/0188649
C1C2C(O2)CS1(=O)=O ZERO/009519
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCO A1469/0064801
C1C2C3C(C1C(C2OC3=O)Br)C(=O)O A3615/0153264
C1C2C3C4C1C(C2OC3=O)OC4=O A3615/0153265
C1C2C3CC4C(C3C1C5C2O5)O4 A1937/0081464
C1C2C3CC4C(C3C1C5C2O5)O4 ZERO/001310
C1C2C3COC(C1(NC(=O)C2[N+](=O)[O-])O)O3 ZERO/008229
C1C2C=C(C(=O)C(O1)O2)I A4196/0178669
C1C2C=C(C(=O)C(O1)O2)I ZERO/008573
C1C2C=CC(=O)C(O1)O2 A1992/0083737
C1C2C=CC(=O)C(O1)O2 ZERO/000256
C1C2C=CC(C(O1)O2)O A4322/0184450
C1C2C=CC(C(O1)O2)O ZERO/008475
C1C2C=CC1C(C2(C#N)C#N)(C(F)(F)F)Cl A3250/0138110
C1C2C=CC1C3(C2(C(=NC3=O)N)C#N)C#N A3511/0148762
C1C2C=CC1C3C2C(=O)C(=C(O3)C(F)(F)F)SC(C(F)F)(F)F A2931/0123337
C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)Nc4nnc(s4)C(F)(F)F A2860/0120547
C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)N A2905/0122412
C1C2C=CC1[C@@H]3[C@H]2[C@H]4CO[C@@H](C3=O)O4 A1789/0075811
C1C2CC(C1C=C2)C(=O)CC(C#N)(C#N)C(C#N)C#N A2274/0095818
C1C2CC3(CC1CC(C2)(C3)C(=O)O)CCN A2396/0101478
C1C2CC3(CC1CC(C2)(C3)C(=O)O)CN A3473/0147265
C1C2CC3(CC1CC(C2)(C3)C(C(=O)O)Cl)C(C(=O)O)Cl A4072/0173491
C1C2CC3(CC1CC(C2)(C3)CCN)CCN A3504/0148488
C1C2CC3(CC1CC(C2)(C3)CCN)CCN ZERO/005178
C1C2CC3(CC1CC(C2)(C3)CN)CC(=O)O A4417/0188547
C1C2CC3(CC1CC(C2)(C3)CN)CC(=O)O ZERO/009406
C1C2CC3(CC1CC(C2)(C3)CN)CN A2842/0119927
C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)N A4076/0173700
C1C2CC3(CC1CC(C2)(C3)N)CC(=O)O A3467/0147011
C1C2CC3(CC1CC(C2)(C3)N)CC(=O)O A3505/0148503
C1C2CC3(CC1CC(C2)(C3)N)CC(=O)O ZERO/005195
C1C2CC3(CC1CC(C2)(C3)O)C(=O)O A1065/0049952
C1C2CC3(CC1CC(C2)(C3)O)N A4399/0187772
C1C2CC3(CC1CC(C2)(C3)O)N ZERO/009188
C1C2CC3(CC1CC(C2)(C3)[N+](=O)[O-])C(=O)O A3263/0138756
C1C2CC3C1C(C2C#N)C(=O)O3 A3984/0169729
C1C2CC3C1C(C2SC(CCl)C(F)(F)F)OC3=O A2740/0116405
C1C2CC3CC1CC(C2)(C3)C#CC(=O)O A1965/0082654
C1C2CC3CC1CC(C2)(C3)C(=O)CC#N A4142/0176495
C1C2CC3CC1CC(C2)(C3)C(=O)CC#N ZERO/005924
C1C2CC3CC1CC(C2)(C3)C(=O)CC(C#N)C#N A3090/0130783
C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C(=C(CC4(C#N)C#N)C=O)N)C#N A2597/0110460
C1C2CC3CC1CC(C2)(C3)C(=O)N/C=N\C(=O)C45CC6CC(C4)CC(C6)C5 A3047/0128641
C1C2CC3CC1CC(C2)(C3)C(=O)NCC(CO)O A3046/0128624
C1C2CC3CC1CC(C2)(C3)C(C#N)I A2313/0097604
C1C2CC3CC1CC(C2)(C3)C(C(=O)C(F)(F)F)C(=O)C(F)(F)F A3776/0160228
C1C2CC3CC1CC(C2)(C3)CC#N A2728/0115839
C1C2CC3CC1CC(C2)(C3)CC#N ZERO/001763
C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)N A3565/0151234
C1C2CC3CC1CC(C2)(C3)CCN A2728/0115838
C1C2CC3CC1CC(C2)(C3)CCN ZERO/001762
C1C2CC3CC1CC(C2)(C3)CCNC(=O)C(C(F)(F)F)C(F)(F)F A2748/0116806
C1C2CC3CC1CC(C2)(C3)CCOC(=O)C45CC6CC(C4)CC(C6)C5 A3234/0137294
C1C2CC3CC1CC(C2)(C3)CN A2728/0115837
C1C2CC3CC1CC(C2)(C3)CN ZERO/001761
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4C5C=CC(C4C(=O)O)C6C5C6 A0847/0039668
C1C2CC3CC1CC(C2)(C3)CNC(=O)N A2738/0116301
C1C2CC3CC1CC(C2)(C3)COCC(=O)O A4210/0179244
C1C2CC3CC1CC(C2)(C3)COCC(=O)O ZERO/006530
C1C2CC3CC1CC(C2)(C3)NC(=C(C#N)C#N)C(F)(F)F A2740/0116381
C1C2CC3CC1CC(C2)(C3)NC(=O)CSc4c(c(sn4)SCC(=O)NC56CC7CC(C5)CC(C7)C6)C#N A1285/0058613
C1C2CC3CC1CC(C2)(C3)NC(=O)c4c(no[n+]4[O-])N A3544/0150210
C1C2CC3CC1CC(C2)(C3)NCC#N A4212/0179309
C1C2CC3CC1CC(C2)(C3)NCCCCCCN A2728/0115840
C1C2CC3CC1CC(C2)(C3)NCCCCCCN ZERO/001764
C1C2CC3CC1CC(C2)(C3)NCCN A2728/0115841
C1C2CC3CC1CC(C2)(C3)NCCN ZERO/001765
C1C2CC3CC1CC(C2)(C3)NCCO A2728/0115835
C1C2CC3CC1CC(C2)(C3)NCCO ZERO/001759
C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(n4)Cl)C#N)Cl)Cl A0405/0018692
C1C2CC3CC1CC(C2)(C3)OCCN A2440/0103438
C1C2CC3CC1CC(C2)(C3)OCCN ZERO/001746
C1C2CC3CC1CC(C2)(C3)OCCNc4nc(nc(n4)OCC(F)(F)F)OCC(F)(F)F A2735/0116142
C1C2CC3CC1CC(C2)(C3)Sc4nc(sn4)N A3771/0159973
C1C2CC3CC1CC(C2)(C3)c4nc(no4)c5c(non5)N A2507/0106572
C1C2CC3CC1CC(C2)(C3)c4nn(c(=S)o4)[C@H]5CC(=O)[C@@H]6OC[C@H]5O6 A3473/0147271
C1C2CC3CC1CC(C2)(C3)c4nnc(o4)N A4399/0187800
C1C2CC3CC1CC(C2)(C3)c4nnc(o4)N ZERO/009220
C1C2CC3CC1CC(C2)(C3)c4nnc(s4)N A2581/0110046
C1C2CC3CC1CC(C2)(C3)n4c(nc(n4)[N+](=O)[O-])Br A3292/0140038
C1C2CC3CC1CC(C2)C34OCC(CO4)(CO)[N+](=O)[O-] A4306/0183828
C1C2CC3CC1CC(C2)C3=CC#N A4072/0173509
C1C2CC3CC1CC(C2)C3=CC(=O)N A4145/0176597
C1C2CC3CC1CC(C2)C3C(=O)NCN(CC(=O)NCC(=O)O)CNC(=O)C4C5CC6CC(C5)CC4C6 A0067/0002874
C1C2CC3CC1CC(C2)C3CCN ZERO/010019
C1C2CC3CC1CC(C2)C3N A3124/0132227
C1C2CC3CC1CC(C2)C3N ZERO/006025
C1C2CC3CC1CC(C2)C3NC(=O)CCl A4424/0188906
C1C2CC3CC1CC(C2)C3NCCCl A4211/0179283
C1C2CC3CC1CC(C2)C3NCCO A4145/0176638
C1C2CC3CC1CC(C2)C3Nc4c(nc5c(n4)non5)NC6C7CC8CC(C7)CC6C8 A2259/0095123
C1C2CC3CC1CC(C2)NC3 A3907/0166170
C1C2CC3CC1CC(C2)NC3 ZERO/005463
C1C2CC3CC1CC(C2)NC3 ZERO/009836
C1C2[C@H](C(C([C@H](O1)O2)O)O)O ZERO/000084
C1C=C(C2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-])Br A2117/0088835
C1C=C(C2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-])Cl A2305/0097174
C1C=C(C2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O A3052/0128884
C1C=C(C2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])OCCCl A3986/0169810
C1C=C(C2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])OCCO A3269/0139041
C1C=C(CS1(=O)=O)CBr A3125/0132255
C1C=C(CS1(=O)=O)CBr ZERO/005051
C1C=CC2(CC1(CN(C2)C(CO)(CO)CO)[N+](=O)[O-])[N+](=O)[O-] A3040/0128299
C1C=CC2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] A1978/0083226
C1C=CC2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] ZERO/001702
C1C=CC2(CC1(CN(C2)CCO)[N+](=O)[O-])[N+](=O)[O-] A1978/0083225
C1C=CC2C1Sc3c(sc(=S)s3)S2 A1899/0079730
C1C=CCC2C1C(=O)N(C2=O)[C@H]3CC(=O)[C@@H]4OC[C@H]3O4 A1933/0081375
C1C=CC[C@@H]2[C@H]1CNC2 A4330/0184660
C1C=CC[C@@H]2[C@H]1CNC2 ZERO/008960
C1CC(=C(C(=O)C1)C(=O)CC2CC(=O)NC(=O)C2)N A2260/0095163
C1CC(=C(C1)N)C#N A4141/0176476
C1CC(=C(C1)N)C#N ZERO/006289
C1CC(=CC(=O)C1)Nc2n[nH]nn2 A3494/0148165
C1CC(=O)C(=C(CC2CC(=O)NC(=O)C2)N)C(=O)C1 A2260/0095159
C1CC(=O)C2=C1OC(=C(C2(C#N)C#N)C#N)N A2983/0125694
C1CC(=O)N(C1)C(=O)CCCCC(=O)N2CCCC2=O A2252/0094860
C1CC(=O)N(C1)C(C(Cl)(Cl)Cl)O A0832/0038992
C1CC(=O)N(C1)C2C3CC4CC2CC(C3)C4N5CCCC5=O A3908/0166189
C1CC(=O)N(C1)CC23CC4CC(C2)CC(C4)C3 A3504/0148487
C1CC(=O)N(C1)CC23CC4CC(C2)CC(C4)C3 ZERO/005177
C1CC(=O)N(C1)CC2CO2 A1960/0082443
C1CC(=O)N(C1)CCC23CC4CC(C2)CC(C4)C3 A3504/0148486
C1CC(=O)N(C1)CCC23CC4CC(C2)CC(C4)C3 ZERO/005176
C1CC(=O)N(C1)CCC2CCNCC2 A4055/0172914
C1CC(=O)N(C1)CCC2CCNCC2 ZERO/005885
C1CC(=O)N(C1)CCP(=O)(CN2CCCC2=O)O A1385/0061920
C1CC(=O)N(C1)CCP(=O)(CN2CCOCC2)O A1193/0055005
C1CC(=O)N(C1)CCP(=O)(O)O A1749/0074218
C1CC(=O)N(C1)CCP(=O)[O-] A2083/0087581
C1CC(=O)N(C1)CP(=O)(CN2CCCC2=O)O A1053/0049362
C1CC(=O)N(C1)CP(=O)(CN2CCOCC2)O A1053/0049361
C1CC(=O)N(C1)CP(=O)(OCC(F)(F)F)OCC(F)(F)F A2756/0117015
C1CC(=O)N(C1=O)C2CC(=O)[C@@H]3OC[C@H]2O3 A0127/0005615
C1CC(=O)N(C1=O)CCCCCC(=O)O A2626/0111723
C1CC(=O)N(C1=O)CN(CCN2CCOC2=O)CN3C(=O)CCC3=O A2979/0125607
C1CC(=O)N(C1=O)[C@H]2CC(=O)[C@@H]3OCC2O3 ZERO/001905
C1CC(=O)N2C1C(=O)N3C(C2=O)CCC3=O A3673/0155750
C1CC(=O)OC1CC(=O)O ZERO/009775
C1CC(=O)[C@@H]2OCC1O2 A4194/0178620
C1CC(=O)[C@@H]2OCC1O2 ZERO/008514
C1CC(C(=O)C(C1)Br)C(=O)N A3878/0164817
C1CC(C(=O)C1)C(C#N)(C#N)C(C#N)C#N A2020/0084755
C1CC(C(=O)C1C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6 A2316/0097712
C1CC(C(=O)NC1)C(=O)NN A4039/0172197
C1CC(C(=O)NC1)C(=O)NN ZERO/005902
C1CC(C(=O)NC1)N A4050/0172739
C1CC(C(=O)NC1)N ZERO/004531
C1CC(CC=C1)C2OCC3(CO2)COC(OC3)C4CCC=CC4 A2626/0111729
C1CC(CN(C1)C(=O)N)C(=O)N A3998/0170388
C1CC(CN(C1)CC#N)C(=O)N A3321/0141087
C1CC(CN(C1)CCC(=O)N)C(=O)O A4101/0174830
C1CC(CN(C1)CCC(=O)O)CO A4034/0171971
C1CC(CN(C1=O)CCCCCCCCCCN2CC(CCC2=O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] A1225/0056477
C1CC(CN(C1=O)CCCCN2CC(CCC2=O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] A0348/0016038
C1CC(CNC1)CBr ZERO/009930
C1CC(CNC1)CCC(=O)O A4367/0186401
C1CC(CNC1)CCC(=O)O ZERO/009004
C1CC(CNC1)CN2CCCC2=O A4405/0188019
C1CC(CNC1)CN2CCCC2=O ZERO/009308
C1CC(COC1)C(=O)O A4405/0188016
C1CC(COC1)C(=O)O ZERO/009296
C1CC(COC1)CCl ZERO/009624
C1CC(COC1)CN A4155/0177077
C1CC(COC1)CN ZERO/005959
C1CC(COC1)CO A4174/0177827
C1CC(COC1)CO ZERO/008428
C1CC(COC1)N A4135/0176330
C1CC(COC1)N ZERO/004809
C1CC(N(C1)C(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4)C(=O)O A2857/0120450
C1CC(NC(C1)C#N)C#N A4326/0184554
C1CC(NC(C1)C#N)C#N ZERO/008835
C1CC(NC1)CCl A4418/0188607
C1CC(NC1)CCl ZERO/009472
C1CC(OC1)C(=O)Nc2nc(ns2)SC34CC5CC(C3)CC(C5)C4 A3955/0168486
C1CC(OC1)CC#N A4407/0188075
C1CC(OC1)CC#N ZERO/009549
C1CC(OC1)CC(=O)O A4055/0172918
C1CC(OC1)CC(=O)O ZERO/008194
C1CC(OC1)CCC(=O)O A4192/0178570
C1CC(OC1)CCC(=O)O ZERO/008450
C1CC(OC1)CCN ZERO/009625
C1CC(OC1)CN(CC2CCC=CC2)c3c(c(nc(c3Cl)Cl)Cl)C#N A2239/0094269
C1CC(OC1)CN2CNC(=S)NC2 A3735/0158309
C1CC(OC1)CNC(=O)C(=O)NC2CC2 A1549/0067446
C1CC(OC1)CNC(=O)C(=O)NCCO A0374/0017162
C1CC(OC1)CNC(=O)C2CC=CCC2C(=O)OCC(C(F)F)(F)F A1887/0079317
C1CC(OC1)CNC(=O)CCl A4212/0179332
C1CC(OC1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 A3669/0155527
C1CC(OC1)CNc2nc(no2)c3c(non3)N A4173/0177813
C1CC(OC1)COCC(=O)O A4111/0175267
C1CC(OC1)COCC(=O)O ZERO/004825
C1CC(OC1)c2nnc(n2N)S A3655/0155000
C1CC(OC1)c2nnc(n2N)S ZERO/005226
C1CC([C@@H]2OCC1O2)N A4406/0188038
C1CC([C@@H]2OCC1O2)N ZERO/009855
C1CC(c2c1c(c(c(n2)Cl)C#N)C#N)([N+](=O)[O-])[N+](=O)[O-] A4413/0188334
C1CC/C(=C(\C#N)/c2nnc3n2CCCC3)/NCC1 A3981/0169560
C1CC1(C(=O)[O-])P(=O)([O-])[O-] A1966/0082683
C1CC12C3C4C(C2C(C3OC4=O)Br)C(=O)O A1394/0062353
C1CC12C3C=CC2C(C3C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O A0847/0039667
C1CC12C3C=CC2C4C3C(=O)N(C4=O)CC56C[C@@H]7C[C@H](C5)C[C@@H](C7)C6 A1158/0054132
C1CC12C3C=CC2C4C3C(=O)N(C4=O)CC56C[C@H]7C[C@@H](C5)C[C@H](C7)C6 A1158/0054132
C1CC12C3C=CC2C4C3C(=O)N(C4=O)CCO A1194/0055015
C1CC12C=CC3C2C4C5CC5C3C46CC6 A1448/0064020
C1CC1C#CC(=O)O A2145/0090071
C1CC1C#CC(N2CCOCC2)N3CCOCC3 A2256/0095042
C1CC1C2=CSC3=NC(NC(=O)N23)(C(F)(F)F)C(F)(F)F A2748/0116784
C1CC1NC(=N)N A4419/0188646
C1CC1NC(=N)N ZERO/009516
C1CC1NC(=O)C(=O)NCCCN2CCOCC2 A1923/0080868
C1CC1NC(=O)C2C3CC(C2C(=O)OCC(C(F)F)(F)F)C=C3 A1893/0079455
C1CC1NC(=O)C2CC=CCC2C(=O)OCC(C(F)F)(F)F A1801/0076159
C1CC1NC(=O)CCC(=O)OCC(C(F)F)(F)F A2104/0088403
C1CC1NC(=O)CSc2c(c(sn2)SCC(=O)NC3CC3)C#N A1172/0054478
C1CC1NC(=S)N2CCC(CC2)C3CCN(CC3)S(=O)(=O)N4CCOCC4 A4231/0180234
C1CC1Nc2c(non2)c3nc(on3)C(Cl)(Cl)Cl A4173/0177818
C1CC1c2c(sc(n2)N)Sc3c(nc(s3)N)C4CC4 A3121/0132148
C1CC1c2c(sc(n2)N)Sc3c(nc(s3)N)C4CC4 ZERO/001985
C1CC1c2nc(no2)CO ZERO/009717
C1CC2(CCC(=O)OC2=O)CNC1=O A2365/0099926
C1CC2(CCCNC2=O)C(=O)NC1 A3119/0132105
C1CC2(CCCNC2=O)C(=O)NC1 ZERO/001844
C1CC2C(=C(C1)N3CCOCC3)C(=C(C2(C#N)C#N)C#N)N A3090/0130782
C1CC2C(=O)NC(=O)N2C1 A3054/0128980
C1CC2C(=O)NC(=O)N2C1 ZERO/005811
C1CC2C(=O)NC(C(=O)N2C1)(C(F)(F)F)O A2880/0121396
C1CC2C(C1)(OC(=C(C2(C#N)C#N)C#N)N)N3CCOCC3 A4065/0173233
C1CC2C(C1)NCCC2=O A3973/0169332
C1CC2C(C1)NCCC2=O ZERO/003360
C1CC2C(C3C1C(C2Cl)OC3=O)C(=O)O A1404/0062755
C1CC2C(CCC(C1N3CCOCC3)S2)N4CCOCC4 A3523/0149172
C1CC2C=CC1C(C2(C#N)C#N)(C#N)C#N A3073/0129930
C1CC2C=CC1C3(C2(C4(N=C3N)OCCO4)C#N)C#N A1796/0076024
C1CC2C=CC1C3C2C(=O)N(C3=O)CCC(=O)O A3427/0145385
C1CC2CC1CC2CN A4080/0173907
C1CC2CC1CC2OC(=O)/C=C/C(=O)O A2095/0088076
C1CC2CC1CC2OC(=O)CCC(=O)O A2106/0088472
C1CC2CC1CN2 A4111/0175270
C1CC2CC1CN2 ZERO/004861
C1CC2CCC1CNC2 A4110/0175237
C1CC2CCC1CNC2 ZERO/004695
C1CCC(=C2CCC(=C3CCCC3)C2=O)C1 A3120/0132117
C1CCC(=C2CCC(=C3CCCC3)C2=O)C1 ZERO/001858
C1CCC(=CC1)CCNc2nc(nc(n2)Cl)N3CC4CC(C3)C5=CC=CC(=O)C5C4 A2989/0125935
C1CCC(=CC1)CCNc2nc(nc(n2)Cl)N3CCOCC3 A2795/0118104
C1CCC(=CC1)CCNc2nc(nc(n2)N3CCOCC3)N4CCOCC4 A2795/0118096
C1CCC(=CC1)CCNc2nc(nc(n2)N3CCOCC3)NCCO A3021/0127374
C1CCC(=CC1)Cc2nnc(s2)N A2396/0101459
C1CCC(=N/N=C\2/NC(=O)CS2)CC1 A1155/0054019
C1CCC(=NCC1)NCC(=O)O A3914/0166480
C1CCC(=NCC1)NCCC(=O)O A2885/0121616
C1CCC(=NNC(=O)CN2C3C(NC(=O)N3)NC2=O)C1 A3305/0140463
C1CCC(=NNC(=S)N)C1 A0769/0035982
C1CCC(=O)C(C1)C(C#N)(C#N)C(C#N)C#N A1859/0078206
C1CCC(=O)N(CC1)C(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F A1377/0061690
C1CCC(=O)N(CC1)C(C(Cl)(Cl)Cl)Cl A1805/0076244
C1CCC(=O)N(CC1)CO A2230/0093892
C1CCC(=O)N(CC1)CO ZERO/001459
C1CCC(=O)N(CC1)CP(=O)(CCC(=O)O)O A1053/0049360
C1CCC(=O)N(CC1)CP(=O)(CN2CCCCC2)O A0847/0039685
C1CCC(=O)N(CC1)CP(=O)(CN2CCOCC2)O A1052/0049348
C1CCC(=O)[c-]2c(=O)on[n+]2CC1 A4204/0178916
C1CCC(C(C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(=O)OCC(F)(F)F A3271/0139141
C1CCC(C(C1)C(=O)NCCOC23CC4CC(C2)CC(C4)C3)C(=O)OCC(F)(F)F A3271/0139139
C1CCC(C(C1)n2c(nc(n2)[N+](=O)[O-])[N+](=O)[O-])O A0072/0002986
C1CCC(C1)(C#CC#CC2(CCCC2)O)O A3847/0163383
C1CCC(C1)(C#N)N2CCOCC2 A4352/0185695
C1CCC(C1)(CN2CCOCC2)N A4322/0184461
C1CCC(C1)(CN2CCOCC2)N ZERO/008697
C1CCC(C1)C(=O)Nc2c(c3c(s2)CCC3)C#N A2738/0116315
C1CCC(C1)CCN A4079/0173858
C1CCC(C1)NC(=O)C(=O)NCCCO A0970/0045346
C1CCC(C1)NC(=O)CCl A3484/0147777
C1CCC(C1)NC(=O)COc2c(nsn2)N3CCOCC3 A3588/0152191
C1CCC(C1)NC(=O)c2c(no[n+]2[O-])N A3566/0151273
C1CCC(C1)NC(=O)c2c(non2)N A4217/0179582
C1CCC(C1)Sc2nnc(s2)N A2138/0089796
C1CCC(C1)n2c(nnn2)S A2769/0117357
C1CCC(C1)n2nc(nn2)CC3CNCCO3 ZERO/009710
C1CCC(CC1)(C#CBr)O A1993/0083758
C1CCC(CC1)(C#CBr)O ZERO/000749
C1CCC(CC1)(C#CC#CC2(CCCCC2)OCCC#N)OCCC#N A3109/0131710
C1CCC(CC1)(C#CC(=O)O)O A3976/0169404
C1CCC(CC1)(C#CC(=O)O)O ZERO/005688
C1CCC(CC1)(C#CC2(CCCCC2)O)O A3849/0163491
C1CCC(CC1)(C#CC2(CCCCC2)O)O ZERO/003149
C1CCC(CC1)(C#CCN2CCCC2)O A1631/0070004
C1CCC(CC1)(C#CCN2CCCC2)O ZERO/003151
C1CCC(CC1)(C#CCN2CCCCC2)O A2005/0084241
C1CCC(CC1)(C#CCN2CCCCC2)O A3851/0163600
C1CCC(CC1)(C#CCN2CCCCC2)O ZERO/003152
C1CCC(CC1)(C#CCN2CCCCC2)OCCC#N A2589/0110250
C1CCC(CC1)(CN)N2CCCCC2 A4400/0187824
C1CCC(CC1)(CN)N2CCCCC2 ZERO/009251
C1CCC(CC1)(CO)C2=NOC(C2)(C(F)(F)F)O A2636/0112224
C1CCC(CC1)C(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 A3764/0159628
C1CCC(CC1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NCC2CCCO2 A4246/0180969
C1CCC(CC1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NCCCN2CCOCC2 A4246/0180968
C1CCC(CC1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NCCN2CCOCC2 A4246/0181000
C1CCC(CC1)C(=O)NC2(C(=O)N(C(=O)N2)C3CCCC3)C(F)(F)F A4247/0181042
C1CCC(CC1)C(=O)NC2(C(=O)N(C(=O)N2)C3CCCCC3)C(F)(F)F A3004/0126538
C1CCC(CC1)C(=O)NC2(C(=O)N3CCSC3=N2)C(F)(F)F A2890/0121751
C1CCC(CC1)C(=O)NC2CCOC2=O A4420/0188720
C1CCC(CC1)C(=O)NCC(=O)[O-] A1264/0057813
C1CCC(CC1)C(=O)Nc2nc(ns2)SC34CC5CC(C3)CC(C5)C4 A3910/0166279
C1CCC(CC1)C2CCNCC2 A4048/0172645
C1CCC(CC1)CCC(=O)NC(C(F)(F)F)(C(F)(F)F)N2CCCCC2 A4250/0181179
C1CCC(CC1)CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NCC2CCCO2 A4245/0180957
C1CCC(CC1)CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NCCCN2CCOCC2 A4246/0180971
C1CCC(CC1)CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NCCN2CCOCC2 A4246/0180998
C1CCC(CC1)CCC(=O)NC2(C(=O)N(C(=O)N2)C3CCCC3)C(F)(F)F A4247/0181043
C1CCC(CC1)CCC(=O)NC2(C(=O)N(C(=O)N2)C3CCCCC3)C(F)(F)F A3101/0131320
C1CCC(CC1)CCC(=O)NC2CCCCC2 A0817/0038250
C1CCC(CC1)N(CN2C(=O)C3CC=C(CC3C2=O)Cl)CN4C(=O)C5CC=C(CC5C4=O)Cl A2059/0086642
C1CCC(CC1)N2C(=O)/C(=C/NN3CCCCC3)/C(=O)NC2=S A3216/0136444
C1CCC(CC1)N2C(=O)C(=C(N)N)C(=O)N(C2=O)C3CCCCC3 A1117/0052446
C1CCC(CC1)N2C(=O)C(NC2=O)(C(F)(F)F)O A4257/0181519
C1CCC(CC1)N2C(=O)C(NC2=O)CC(=O)NC3C4CC5CC(C4)CC3C5 A4237/0180536
C1CCC(CC1)N2C(=O)C(NC2=O)CCC(=O)O A4382/0187125
C1CCC(CC1)N2C(=O)C(NC2=O)CCC(=O)O ZERO/006536
C1CCC(CC1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7CCCCC7 A2205/0092838
C1CCC(CC1)N2C(=O)CNC2=S A3842/0163142
C1CCC(CC1)N2C(N2)C3NN3C4CCCCC4 A0070/0002938
C1CCC(CC1)N2C3C(NC(=O)N3)NC2=O A2288/0096353
C1CCC(CC1)N2C3C4N(CN(CN4C2=O)CCO)C(=O)N3 A4228/0180087
C1CCC(CC1)N2C3CS(=O)(=O)CC3CC2=O A2935/0123540
C1CCC(CC1)N2CC(CC2=O)C(=O)O A3076/0130088
C1CCC(CC1)N2CCC(C2)N ZERO/009367
C1CCC(CC1)N2CN3C4C(NC3=O)N(C(=O)N4C2)C5CCCCC5 A4240/0180685
C1CCC(CC1)N2CN3C4C5N(C3=O)CN(CN5C(=O)N4C2)C6CCCCC6 A2485/0105615
C1CCC(CC1)N2Cc3c(=O)nc4n(c3NC2)CC(S4)CBr A3774/0160160
C1CCC(CC1)N=C=S ZERO/008328
C1CCC(CC1)NC(=N)N=C(N)N A3609/0152979
C1CCC(CC1)NC(=O)C(=O)NC2CCCCC2 A0655/0030444
C1CCC(CC1)NC(=O)C(=S)NC2CCCCC2 A3576/0151775
C1CCC(CC1)NC(=O)C(C2(C(C(C(O2)(F)F)(F)F)(F)F)F)(F)F A1805/0076243
C1CCC(CC1)NC(=O)C2CC(=O)OC23CCCCC3 A2823/0119203
C1CCC(CC1)NC(=O)CC2CCS(=O)(=O)C2 A2935/0123544
C1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC2CCCCC2 A0975/0045580
C1CCC(CC1)NC(=O)CCl A0399/0018399
C1CCC(CC1)NC(=O)CN2C(=O)C3CC=CCC3C2=O A3572/0151566
C1CCC(CC1)NC(=O)CN2C3C(NC(=O)N3)NC2=O A3734/0158289
C1CCC(CC1)NC(=O)COc2c(nsn2)N3CCOCC3 A3756/0159275
C1CCC(CC1)NC(=O)Cn2c(nc(n2)[N+](=O)[O-])Br A3287/0139927
C1CCC(CC1)NC(=O)N/N=C/C2CCC=CC2 A3557/0150853
C1CCC(CC1)NC(=O)N2CCCC(C2)C(=O)N A3344/0142033
C1CCC(CC1)NC(=O)NNC(=O)NC2CCCCC2 A3437/0145902
C1CCC(CC1)NC(=O)c2c3c(sc2N)CCCC3 A1946/0081776
C1CCC(CC1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 A3867/0164264
C1CCC(CC1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3 A3231/0137163
C1CCC(CC1)NC(=S)NNC(=S)NCC2CCCO2 A3191/0135192
C1CCC(CC1)NC2C3CC4CC2CC(C4)(C3)O A3952/0168359
C1CCC(CC1)NC=S A3842/0163146
C1CCC(CC1)Nc2c(nc3c(n2)non3)NC4CCCCC4 A1678/0071603
C1CCC(CC1)Nc2nc(nc(n2)Cl)Cl A2473/0105060
C1CCC(CC1)Nc2nc(nc(n2)N3CCOCC3)NC4CCCCC4 A3981/0169543
C1CCC(CC1)Nc2nc(nc(n2)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F A2327/0098186
C1CCC(CC1)OC(=O)NCCCCCCNC(=O)OC2CCCCC2 A2306/0097251
C1CCC(CC1)SCCSc2nnc3n2nc(s3)SCCSC4CCCCC4 A1654/0070571
C1CCC(CC1)c2[nH]c(=S)[nH]n2 A1469/0064805
C1CCC(CC1)c2c(c(nc(c2C#N)SCC#N)N)C#N A2241/0094343
C1CCC(CC1)c2c(c(nc(c2C#N)SCC(=O)N)N)C#N A2079/0087396
C1CCC(CC1)c2c(c(nc(c2C#N)SCCC#N)N)C#N A2801/0118422
C1CCC(CC1)c2nc([nH]n2)NC(=O)C3CCCCC3 A3503/0148451
C1CCC(CC1)c2nc([nH]n2)NC(=O)C3CCCCC3 ZERO/005134
C1CCC(CC1)c2nc(no2)c3c(non3)N A2483/0105547
C1CCC(CC1)c2nnc(s2)NC(=O)C3CCCCC3 A1907/0080144
C1CCC(CC1)c2nnc(s2)NC(=O)CCCC(=O)O A4081/0173954
C1CCC(CC1)n2c(=O)c3c([nH]c2=O)CCC3 A1070/0050193
C1CCC(CC1)n2c(=S)n(nn2)[C@H]3CC(=O)[C@@H]4OC[C@H]3O4 A2050/0086191
C1CCC(CC1)n2c(nnc2S)N A2214/0093191
C1CCC(CC1)n2c(nnn2)SCC(=O)N3CCOCC3 A2150/0090298
C1CCC2(C(C1)C(C(=C(O2)N)C#N)(C#N)C#N)N3CCOCC3 A3908/0166207
C1CCC2(C(C1)C3(/C(=N\O)/CCCC3=[N+]2[O-])O)N4CCOCC4 A1739/0073860
C1CCC2(C1)C(=C(OC3=C2C(=O)CCC3)N)C#N A2466/0104701
C1CCC2(C1)C(C(=O)N=C(N2)N3CCOCC3)C#N A4021/0171517
C1CCC2(C1)C(C2(C#N)C(=O)N)C#N A4170/0177717
C1CCC2(C1)C(CC(=O)O2)C(=O)N A3739/0158415
C1CCC2(C1)C3(C2(C4(N=C3N)OCCO4)C#N)C#N A4170/0177701
C1CCC2(C1)NC(CO2)(CO)CO A1748/0074186
C1CCC2(C1)OC(=O)C(C(=O)O2)CC3C(=O)OC4(CCCC4)OC3=O A3013/0127005
C1CCC2(CC1)C(=CC(=O)O2)N(CCO)CCO A1051/0049275
C1CCC2(CC1)C(=CC(=O)O2)N3CCC(CC3)C(=O)N A2140/0089850
C1CCC2(CC1)C(=CC(=O)O2)N3CCC(CC3)C(=O)N4CCCCC4 A4046/0172569
C1CCC2(CC1)C(=CC(=O)O2)N3CCCCC3 A1051/0049273
C1CCC2(CC1)C(=CC(=O)O2)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5 A3109/0131711
C1CCC2(CC1)C(=CC(=O)O2)N3CCN(CC3)CCC#N A4047/0172581
C1CCC2(CC1)C(=CC(=O)O2)N3CCN(CC3)CCO A2222/0093567
C1CCC2(CC1)C(=CC(=O)O2)N3CCOCC3 A0935/0043772
C1CCC2(CC1)C(=CC(=O)O2)NC3CC3 A1948/0081837
C1CCC2(CC1)C(=CC(=O)O2)NC3CCS(=O)(=O)C3 A4036/0172074
C1CCC2(CC1)C(=CC(=O)O2)NCC34CC5CC(C3)CC(C5)C4 A4036/0172073
C1CCC2(CC1)C(=CC(=O)O2)NCC3CCCO3 A2096/0088103
C1CCC2(CC1)C(=CC(=O)O2)NCCCN3CCOCC3 A2221/0093543
C1CCC2(CC1)C(=CC(=O)O2)NCCOC34CC5CC(C3)CC(C5)C4 A2682/0114335
C1CCC2(CC1)C(C(=O)N3C(=C2C#N)SC4C3(CCCC4)O)C#N A2367/0100019
C1CCC2(CC1)C(C(=O)N=C(N2)N3CCCC3)C#N A4264/0181836
C1CCC2(CC1)C(C(=O)N=C(N2)N3CCCCC3)C#N A3816/0162022
C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N A2128/0089323
C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCCCCSC3=C(C4(CCCCC4)C(C(=O)N3)C#N)C#N)C#N A2479/0105323
C1CCC2(CC1)C(C(=O)NC(=O)C2C(=O)S)C#N A2861/0120633
C1CCC2(CC1)C(C(=O)NC(=O)C2C(=S)N)C#N A2799/0118295
C1CCC2(CC1)C(C(=O)NC(=S)C2C(=O)N)C#N A2799/0118294
C1CCC2(CC1)C(C2(C#N)C#N)(C#N)C#N A3326/0141231
C1CCC2(CC1)C(C2(C#N)C(=N)N)C#N A4352/0185657
C1CCC2(CC1)C(C2(C#N)C(=O)N)(C#N)C#N A4313/0184161
C1CCC2(CC1)C(C2(C#N)C(=O)N)C#N A4313/0184162
C1CCC2(CC1)C(CC(=O)O2)C(=O)CBr A0784/0036680
C1CCC2(CC1)C(CC(=O)O2)C(=O)CCl A0379/0017424
C1CCC2(CC1)C(CC(=O)O2)C(=O)NNC(=S)N A0751/0035063
C1CCC2(CC1)C3(C2(C4(N=C3N)OCCO4)C#N)C#N A3847/0163401
C1CCC2(CC1)C3N(CCN2)C(=O)CS3 A0592/0027360
C1CCC2(CC1)CCCN3C2SCC3=O A2023/0084891
C1CCC2(CC1)COC(CC2=O)(C(F)(F)F)O A2636/0112225
C1CCC2(CC1)N3COCC3(CO2)CO A2320/0097833
C1CCC2(CC1)N3N2CCC3 A2139/0089825
C1CCC2(CC1)NC(=C(C#N)C#N)C(=N2)N A3900/0165888
C1CCC2(CC1)NC(=O)CS2 A4000/0170510
C1CCC2(CC1)NC3=C(CCCC3)C(=S)N2 A2068/0086977
C1CCC2(CC1)NC3=C(CCCC3)C(=S)S2 A3466/0146980
C1CCC2(CC1)NN2 A3774/0160149
C1CCC2(CC1)OC3C(C(OC3O2)C(CO)O)O A2998/0126315
C1CCC2(CC1)OC3C(O2)C(OC4C3OC5(O4)CCCCC5)C(=O)O A2190/0092131
C1CCC2(CC1)OCC(O2)C3C(C4C(O3)OC5(O4)CCCCC5)(O)O A3345/0142061
C1CCC23C(C1)(NC(=O)N2)NC(=O)N3 A3478/0147529
C1CCC23C(C1)C(C(=N)O2)(C(CO3)(C#N)C#N)C#N A2227/0093822
C1CCC2C(C1)C(=O)N(C2=O)c3c(non3)N A3815/0161977
C1CCC2C(C1)C(=O)N(C2=O)c3c(non3)NC(=O)C45CC6CC(C4)CC(C6)C5 A3959/0168680
C1CCC2C(C1)C(CCN2)Cl A3122/0132175
C1CCC2C(C1)C(CCN2)Cl ZERO/005004
C1CCC2C(C1)C23CC34C5C4CCCC5 A1388/0062038
C1CCC2C(C1)C2C(=O)NN A0122/0005370
C1CCC2C(C1)C2C(=O)NNC(=S)N A0506/0023509
C1CCC2C(C1)NC(=NC#N)N2 A4400/0187825
C1CCC2C(C1)NC(=NC#N)N2 ZERO/009252
C1CCC2C(C1)NCCO2 A4195/0178654
C1CCC2C(C1)NCCO2 ZERO/008558
C1CCC2C(C1)OC(=O)O2 A1933/0081370
C1CCC2C(C1)OC(=O)O2 ZERO/003086
C1CCC2C(CC1)SC(=C2C#N)NC3=CC(=O)CCC3 A3711/0157200
C1CCCC(=O)/C(=C\[O-])/CC1 ZERO/008062
C1CCCC(CC1)(C#CC#CC2(CCCCCC2)O)O A3854/0163664
C1CCCC(CC1)NC(=O)C2CC2 A2220/0093478
C1CCCC(CC1)NC(=O)CO/N=C/2\CCCc3c2non3 A3794/0161104
C1CCCC(CC1)NC(=O)COc2c(nsn2)N3CCOCC3 A3776/0160258
C1CCCC(CC1)Nc2c(nc3c(n2)non3)NC4CCCCCC4 A4333/0184733
C1CCCC(CCC1)NC(=O)C23CC4CC(C2)CC(C4)C3 A0780/0036502
C1CCCC(CCC1)NC(=O)CCC2CCCC2 A1040/0048722
C1CCCCCC(=NNC(=S)N)CCCCC1 A0770/0036005
C1CCCCCC2C(CCCC1)Sc3c(sc(=O)s3)S2 A1899/0079737
C1CCCCCC2C(CCCC1)Sc3c(sc(=S)s3)S2 A2095/0088028
C1CCCCCc2c(c(c(c(n2)Cl)C#N)C#N)CCCC1 A4413/0188336
C1CCCCCc2c(c(c(c(n2)I)C#N)C#N)CCCC1 A2561/0109103
C1CCCCCc2c(c(c(c(n2)N3CCCCC3)C#N)C#N)CCCC1 A4432/0189293
C1CCCCCc2c(c(c(c(n2)N3CCOCC3)C#N)C#N)CCCC1 A4413/0188333
C1CCCCCc2c(c(c(s2)N)C#N)CCCC1 A0443/0020436
C1CCCCCc2c(c3c(=O)[nH]c(nc3s2)S)CCCC1 A3983/0169678
C1CCCN(CC1)C(=O)C2CCCNC2 A3852/0163608
C1CCCN(CC1)C(=O)C2CCCNC2 ZERO/005421
C1CCCN(CC1)C2=CC(=O)OC23CCCCC3 A0935/0043773
C1CCCN(CC1)CC2CCCCN2 A4405/0188022
C1CCCN(CC1)CC2CCCCN2 ZERO/009327
C1CCCN(CC1)CCC2CCCCN2 A4405/0188017
C1CCCN(CC1)CCC2CCCCN2 ZERO/009305
C1CCCN(CC1)CP(=O)(CCN2CCCC2=O)O A2100/0088252
C1CCCN(CC1)CP(=O)(CN2CCOCC2)O A2100/0088253
C1CCCN(CC1)Cc2c(nnn2c3c(non3)N)C(=O)NN A1681/0071754
C1CCCN(CC1)Cc2c(nnn2c3c(non3)N)C(=O)NN ZERO/003064
C1CCCN(CC1)Cc2c(nnn2c3c(non3)N)C(=O)O A2882/0121488
C1CCCN(CC1)c2c(c(c(c(n2)Cl)C(F)(F)F)Cl)Cl A2789/0117842
C1CCCN(CC1)c2c(non2)[n+]3[n-]c4c(n3)non4 A0235/0010601
C1CCCN(CC1)c2nc(nc(n2)N3CCCCCC3)NN A4218/0179609
C1CCCc2c(c(c(c(n2)Br)C#N)C#N)CC1 A4413/0188335
C1CCCc2c(c(c(c(n2)Cl)C#N)C#N)CC1 A4413/0188343
C1CCCc2c(c(c(c(n2)I)C#N)C#N)CC1 A4432/0189297
C1CCCc2c(c(c(c(n2)N3CCCCC3)C#N)C#N)CC1 A4413/0188344
C1CCCc2c(c(c(c(n2)N3CCOCC3)C#N)C#N)CC1 A4415/0188466
C1CCCc2c(c(c(s2)NC3=CC(=O)CCC3)C#N)CC1 A3523/0149164
C1CCCc2c(c3c(=O)[nH]c(=S)[nH]c3s2)CC1 A3786/0160707
C1CCCc2c(c3c(=O)[nH]c(nc3s2)S)CC1 A3983/0169677
C1CCCc2c(c3c(=O)[nH]nnc3s2)CC1 A3953/0168400
C1CCN(C1)C(=C2C(=O)CCCC2=O)CC3CC(=O)NC(=O)C3 A2260/0095162
C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3 A0781/0036533
C1CCN(C1)C(=O)C2CCCN(C2)C(=S)NC3CC3 A3874/0164608
C1CCN(C1)C(=O)C2CCN(CC2)C(=S)NC3CC3 A3874/0164610
C1CCN(C1)C(=O)C2CCNCC2 A3789/0160880
C1CCN(C1)C(=O)CSc2nnc(s2)N A3088/0130650
C1CCN(C1)C(=O)CSc2nnc(s2)N ZERO/006068
C1CCN(C1)C(=S)NN A3223/0136763
C1CCN(C1)C2=C(C(=O)C(=C(C2=O)Cl)N3CCCC3)Cl A2913/0122817
C1CCN(C1)C2C3CC4CC2CC(C3)C4N5CCCC5 A3869/0164367
C1CCN(C1)CCSc2c(c3c(s2)c(=O)[nH]c(=O)[nH]3)C#N A4297/0183363
C1CCN(C1)Cc2c(nnn2c3c(non3)N)C(=O)NN A2087/0087761
C1CCN(C1)Cc2c(nnn2c3c(non3)N)C(=O)NN ZERO/003100
C1CCN(C1)Cc2c(nnn2c3c(non3)N)C(=O)O A2877/0121238
C1CCN(C1)S(=O)(=O)CCN A3907/0166133
C1CCN(C1)S(=O)(=O)CCN ZERO/005446
C1CCN(C1)S(=O)(=O)Cl ZERO/009761
C1CCN(C1)S(=O)(=O)N2CCC(CC2)C3CCN(CC3)C4CC(=O)NC4=O A4364/0186283
C1CCN(C1)c2c(nc3c(n2)non3)N4CCCC4 A2339/0098720
C1CCN(C1)c2c(non2)O A4191/0178553
C1CCN(C1)c2c(non2)O ZERO/008172
C1CCN(C1)c2c3nnnn3c4c(n2)non4 A2702/0114955
C1CCN(C1)c2nc(nc(n2)N(C(=O)N)N)N3CCCC3 A3274/0139249
C1CCN(C1)c2nc(nc(n2)N3CCCC3)/C(=N\O)/N A3274/0139250
C1CCN(C1)c2nc(nc(n2)N3CCCC3)C#N A3274/0139255
C1CCN(C1)c2nc(nc(n2)N3CCCC3)n4c(c(nn4)C#N)N A3309/0140653
C1CCN(C1)c2nc(nc(n2)OCC#N)N3CCCC3 A3274/0139253
C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3 A1089/0051144
C1CCN(CC1)C(=O)C2=CCC3(CC2(CN(C3)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] A3986/0169811
C1CCN(CC1)C(=O)C2CCNCC2 A3850/0163567
C1CCN(CC1)C(=O)C2CCNCC2 ZERO/005420
C1CCN(CC1)C(=O)CN2C(=O)C3CCC(=O)CC3C2=O A2745/0116649
C1CCN(CC1)C(=O)COC(=O)c2c(non2)N A1876/0078943
C1CCN(CC1)C(=O)CSc2nc(sn2)SCC(=O)N3CCCCC3 A2325/0098065
C1CCN(CC1)C(=O)CSc2nnc(s2)N A1973/0082976
C1CCN(CC1)C(=O)Cn2c(nc(n2)Cl)Cl A3872/0164516
C1CCN(CC1)C(=O)c2c(non2)N ZERO/003190
C1CCN(CC1)C(=S)NN A0937/0043884
C1CCN(CC1)C2(C3CC4CC(C3)CC2C4)C#N A4093/0174546
C1CCN(CC1)C2(C3CC4CC(C3)CC2C4)CN A4180/0178109
C1CCN(CC1)C2(CCN(CC2)C(=O)CCCC(=O)O)C(=O)N A3717/0157463
C1CCN(CC1)C2(CCN(CC2)C(=O)CN3CCNCC3)C(=O)N A3869/0164366
C1CCN(CC1)C2(CCN(CC2)C(=O)N3CCOCC3)C(=O)N A3291/0140028
C1CCN(CC1)C2(CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)N A3130/0132371
C1CCN(CC1)C2(CCN(CC2)C3CC(=O)NC3=O)C(=O)N A3507/0148580
C1CCN(CC1)C2(CCNCC2)C(=O)N A4381/0187113
C1CCN(CC1)C2(CCNCC2)C(=O)N ZERO/006502
C1CCN(CC1)C2=NC(=NS(=NC(=O)C(Cl)(Cl)Cl)(=O)O2)C(Cl)(Cl)Cl A1743/0073959
C1CCN(CC1)C2=NNC(=O)CS2 A3701/0156949
C1CCN(CC1)CC#CCCO A4199/0178742
C1CCN(CC1)CC#CCCO ZERO/008663
C1CCN(CC1)CC(=O)Nc2c(c3c(s2)CCCC3)C#N A2187/0091943
C1CCN(CC1)CC(=O)O A4316/0184274
C1CCN(CC1)CC(=O)O ZERO/006345
C1CCN(CC1)CC(CP(=O)(O)O)P(=O)(O)O A2115/0088786
C1CCN(CC1)CCC(=O)NC23CC4CC(C2)CC(C4)C3 A4000/0170503
C1CCN(CC1)CCCCN A4212/0179330
C1CCN(CC1)CCN2C(=O)C3CC=C(CC3C2=O)Cl A2608/0110857
C1CCN(CC1)CCc2nnc(s2)N A1975/0083073
C1CCN(CC1)CNC(=O)C(Cl)(Cl)Cl A1209/0055716
C1CCN(CC1)CNC(=O)C23CC4CC(C2)CC(C4)C3 A2795/0118106
C1CCN(CC1)CP(=O)(CCN2CCCC2=O)O A1385/0061918
C1CCN(CC1)Cc2[nH]nnn2 A3920/0166797
C1CCN(CC1)Cc2c(nnn2c3c(non3)N)C(=O)N A1882/0079188
C1CCN(CC1)Cc2c(nnn2c3c(non3)N)C(=O)N ZERO/003024
C1CCN(CC1)S(=O)(=O)CCN A4399/0187795
C1CCN(CC1)S(=O)(=O)CCN ZERO/009214
C1CCN(CC1)S(=O)(=O)CCl A3725/0157853
C1CCN(CC1)S(=O)(=O)Cl ZERO/009760
C1CCN(CC1)c2c(c(c(c(n2)F)F)SC(C(F)(F)F)(F)F)F A1654/0070585
C1CCN(CC1)c2c(c(c3c(n2)CCC3)C#N)C#N A4432/0189298
C1CCN(CC1)c2c(non2)[n+]3[n-]c4c(n3)non4 A0230/0010375
C1CCN(CC1)c2nc(nc(n2)Cl)Cl A2541/0108135
C1CCN(CC1)c2nc(nc(n2)Cl)N3CCCCC3 A2522/0107178
C1CCN(CC1)c2nc(nc(n2)Cl)N3CCOCC3 A2803/0118516
C1CCN(CC1)c2nc(nc(n2)Cl)NC3CCCC3 A1719/0073293
C1CCN(CC1)c2nc(nc(n2)Cl)NCCN3CCOCC3 A1377/0061701
C1CCN(CC1)c2nc(nc(n2)N(C(=O)N)N)N3CCCCC3 A3386/0143638
C1CCN(CC1)c2nc(nc(n2)N(CC(=O)N)C#N)N3CCCCC3 A3386/0143637
C1CCN(CC1)c2nc(nc(n2)N)C#N A3987/0169841
C1CCN(CC1)c2nc(nc(n2)N)CCl A2506/0106540
C1CCN(CC1)c2nc(nc(n2)N)CCl ZERO/001454
C1CCN(CC1)c2nc(nc(n2)N)CSC(=N)N A2060/0086688
C1CCN(CC1)c2nc(nc(n2)N3CC4CC(C3)C5=CC=CC(=O)C5C4)N6CCCCC6 A2989/0125933
C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)/C(=N\O)/N A3386/0143632
C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)C#N A2292/0096555
C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)C(=O)N A2803/0118520
C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)N/N=C/C(CO)O A1394/0062335
C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)NCCO A2875/0121153
C1CCN(CC1)c2nc(nc(n2)N3CCN(CC3)CCO)N4CCCCC4 A2382/0100759
C1CCN(CC1)c2nc(nc(n2)N3CCNCC3)N4CCCCC4 A2964/0124833
C1CCN(CC1)c2nc(nc(n2)N3CCOCC3)C(=O)N A2803/0118515
C1CCN(CC1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4 A3661/0155136
C1CCN(CC1)c2nc(nc(n2)N3CCOCC3)N=[N+]=[N-] A2804/0118528
C1CCN(CC1)c2nc(nc(n2)NCC(=O)O)NCC(=O)O A2170/0091129
C1CCN(CC1)c2nc(nc(n2)OCC(F)(F)F)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5 A2702/0114950
C1CCN(CC1)c2nc(nc(n2)OCC(F)(F)F)NCCOC34CC5CC(C3)CC(C5)C4 A2682/0114329
C1CCN(CC1)c2nc(nc(n2)OCC(F)(F)F)OCC(F)(F)F A2330/0098313
C1CCN(CC1)c2nc(nc(n2)SC(=N)N)N3CCCCC3 A2060/0086687
C1CCN2CCCC(C2C1)CC#N A3467/0147016
C1CCN2CCCC(C2C1)CN ZERO/005104
C1CCN2CCCC(C2C1)CN=[N+]=[N-] A3467/0147012
C1CCN2CCCC(C2C1)CNC(=O)c3c(no[n+]3[O-])N A3744/0158687
C1CCN2CCC[C@H]([C@H]2C1)CN A2700/0114872
C1CCN2CCC[C@H]([C@H]2C1)CO A2727/0115828
C1CCN2CCC[C@H]([C@H]2C1)CO ZERO/001747
C1CCNC(C1)CC(=O)N A3741/0158517
C1CCNC(C1)CC(=O)O A3904/0166059
C1CCNC(C1)CC(=O)O ZERO/005375
C1CCNC(C1)CCBr ZERO/009586
C1CCNC(C1)CCC(=O)O ZERO/009681
C1CCNC(C1)CCCC(=O)O A4367/0186429
C1CCNC(C1)CCCC(=O)O ZERO/009037
C1CCNC(C1)CN2CCCC2 A4405/0188021
C1CCNC(C1)CN2CCCC2 ZERO/009326
C1CCOC(C1)CC(=O)O A4141/0176482
C1CCOC(C1)CC(=O)O ZERO/008193
C1CC[C@@H]2[C@@H](C1)C(=O)CCN2 A2727/0115826
C1CC[C@@H]2[C@@H](C1)C(=O)CCN2 ZERO/001739
C1CC[C@@]2(CCNC[C@@H]2C1)O A2960/0124649
C1CC[C@H]2CNC[C@H]2C1 A4386/0187247
C1CC[C@H]2CNC[C@H]2C1 ZERO/009029
C1CCc2c(c(=O)[nH][nH]2)C1 A3878/0164825
C1CCc2c(c(=O)[nH][nH]2)C1 ZERO/008786
C1CCc2c(c(=O)n3c([nH]2)nc(n3)C(F)(F)F)C1 A4128/0176028
C1CCc2c(c(c(c(n2)Br)C#N)C#N)C1 A4432/0189300
C1CCc2c(c(c(c(n2)I)C#N)C#N)C1 A4432/0189299
C1CCc2c(c(c(c(n2)N3CCOCC3)C#N)C#N)C1 A4220/0179697
C1CCc2c(c(c(nc2O)O)C#N)C1 A3508/0148619
C1CCc2c(c(c(o2)N)C#N)C1 A2449/0103867
C1CCc2c(c(c(s2)N)C#N)C1 A2110/0088654
C1CCc2c(c(c(s2)N)C#N)C1 ZERO/000234
C1CCc2c(c(c(s2)N)C(=O)N)C1 A0400/0018436
C1CCc2c(c(c(s2)N)C(=O)N)C1 ZERO/005481
C1CCc2c(c(c(s2)N)c3[nH]nnn3)C1 A3981/0169539
C1CCc2c(c(c(s2)N3C4=C(CCC4)C(C(=C3N)C#N)(C(F)(F)F)C(F)(F)F)C#N)C1 A2308/0097330
C1CCc2c(c(c(s2)NC(=O)C(C(F)(F)F)C(F)(F)F)C#N)C1 A2800/0118343
C1CCc2c(c(c(s2)NC(=O)C(F)(F)F)C(=O)N)C1 A0400/0018437
C1CCc2c(c(c(s2)NC(=O)CN3C(=O)CCC3=O)C#N)C1 A0719/0033516
C1CCc2c(c(c(s2)NC(=O)CSC3=NCCS3)C#N)C1 A1455/0064198
C1CCc2c(c(c(s2)NC(=O)CSCCO)C#N)C1 A3020/0127313
C1CCc2c(c(c(s2)NC(=O)CSc3[nH]nc(n3)N)C#N)C1 A4348/0185493
C1CCc2c(c(c(s2)NC(=S)N)C#N)C1 A2325/0098090
C1CCc2c(c(c(s2)NC3(C(=O)N4CCSC4=N3)C(F)(F)F)C#N)C1 A3330/0141406
C1CCc2c(c(c(s2)NC3=CC(=O)CCC3)C#N)C1 A3284/0139761
C1CCc2c(c(c3c(n2)CCC3)N)C1 A0600/0027752
C1CCc2c(c(c3c(n2)CCC3)N)C1 A3501/0148417
C1CCc2c(c(c3c(n2)CCC3)N)C1 ZERO/005050
C1CCc2c(c(n[nH]2)C(=O)O)C1 A4332/0184717
C1CCc2c(c(n[nH]2)C(=O)O)C1 ZERO/006340
C1CCc2c(c(nc(n2)N)N)C1 A1095/0051419
C1CCc2c(c(nc(n2)S[C@H]3CC(=O)[C@@H]4OC[C@H]3O4)C(F)(F)F)C1 A2792/0117949
C1CCc2c(c(nn2CC(=O)NCC34CC5CC(C3)CC(C5)C4)C(F)(F)F)C1 A3285/0139816
C1CCc2c(c3c(=N)n4c(nc3s2)CCC4)C1 A0748/0034914
C1CCc2c(c3c(c(c2C#N)N)CCCC3)C1 A2418/0102544
C1CCc2c(c3c(c(c2C#N)N)CCCC3)C1 ZERO/004660
C1CCc2c(c3c(c(c2C#N)NC(=O)CCl)CCCC3)C1 A4079/0173851
C1CCc2c(c3c(nnnc3s2)O)C1 A3367/0142965
C1CCc2c(c3c(s2)[nH]c(=O)n(c3=O)N)C1 A3615/0153278
C1CCc2c(c3c4c(c(nnn4)S)sc3nc2N5CCOCC5)C1 A3958/0168666
C1CCc2c(n(nc2C(F)(F)F)CC(=O)O)CC1 A3121/0132155
C1CCc2c(n(nc2C(F)(F)F)CC(=O)O)CC1 ZERO/001997
C1CCc2c(nc(c(c2C#N)C#N)Br)CC1 A4432/0189301
C1CCc2c(nc(c(c2C#N)C#N)I)CC1 A4432/0189294
C1CCc2c(nc(c(c2C#N)C#N)N3CCOCC3)CC1 A4432/0189295
C1CCc2c(nc(s2)NC(=O)CC34CC5CC(C3)CC(C5)C4)C1 A3674/0155787
C1CCc2c(nc(s2)NC(=O)CCCCCCCC(=O)Nc3nc4c(s3)CCCC4)C1 A1573/0068549
C1CCc2c(nc(s2)NC(=O)CCCCCCCCC(=O)Nc3nc4c(s3)CCCC4)C1 A1576/0068630
C1CCc2c(nc3c(c2C(F)(F)F)c(c(s3)C(=O)NCC(=O)O)N)CC1 A3728/0157985
C1CCc2c(nc3c(c2C(F)(F)F)c(ns3)Br)CC1 A3858/0163841
C1CCc2c(sc(c2C#N)NC(=O)C3CC(=O)OC34CCCCC4)CC1 A2805/0118617
C1CCc2c(sc(n2)CN)CC1 A3904/0166075
C1CCc2c(sc(n2)CN)CC1 ZERO/005427
C1CCc2c(sc3c2c(=O)[nH]c(n3)S)CC1 A3983/0169674
C1CCc2n[nH]c(=O)n2CC1 ZERO/009666
C1CCc2nc3c(c4c(s3)C/C(=N/O)/CC4)c(=O)n2CC1 A0394/0018124
C1CCc2nn(c(=S)n2CC1)CN3CCCCC3 A3865/0164185
C1CCc2nn(c(=S)n2CC1)CN3CCOCC3 A3112/0131859
C1CCc2nnc(n2CC1)/C(=C/3\CCCN3)/C#N A3994/0170211
C1CCc2nnc(n2CC1)/C(=C\3/CCCCN3)/C#N A3976/0169411
C1CCc2nnc(n2CC1)/C(=C\3/CCCCN3)/C#N ZERO/005696
C1CCc2nnc(n2CC1)C3CCCNC3 ZERO/009858
C1CCc2nnc(n2CC1)C3CCNCC3 ZERO/009876
C1CCc2nnc(n2CC1)CC#N A3001/0126397
C1CCc2nnc(n2CC1)Cc3nnc4n3CCCCC4 A2649/0112855
C1CCc2nnc(n2CC1)O A4420/0188686
C1CCc2nnc(n2CC1)O ZERO/009562
C1CCn2c(nnc2/C(=C/3\CCCCN3)/C#N)C1 A3994/0170212
C1CCn2c(nnc2/C(=C/3\CCCN3)/C#N)C1 A3994/0170210
C1CCn2c(nnc2CC#N)C1 A3976/0169412
C1CCn2c(nnc2CC#N)C1 ZERO/005697
C1CCn2c(nnc2CN)C1 ZERO/009642
C1CCn2c(nnn2)C(C1)C(=O)O A4419/0188656
C1CCn2c(nnn2)C(C1)C(=O)O ZERO/009526
C1CN(C(=O)N1)C(=O)C23CC4CC(C2)CC(C4)C3 A3284/0139751
C1CN(C(=O)N1)C2C(NC(=O)N2)N3CCNC3=O A3730/0158109
C1CN(C(=O)N1)CCN ZERO/009747
C1CN(C(=O)OC1)CCN2CCCOC2=O A2979/0125605
C1CN(C(=O)OC1)CCNC(=O)C(=O)NCCN2CCCOC2=O A2979/0125606
C1CN(CCC1C(=O)N)C(=O)CCl A3346/0142095
C1CN(CCC1C(=O)N)C(=O)CCl ZERO/005080
C1CN(CCC1C(=O)N)C(=O)NC23CC4CC(C2)CC(C4)C3 A3319/0141055
C1CN(CCC1C(=O)N2CCOCC2)C3CC(=O)NC3=O A3874/0164611
C1CN(CCC1C(=O)NN)c2c(non2)N A2724/0115714
C1CN(CCC1C(=O)O)c2c(non2)N A2702/0114952
C1CN(CCC1C2CCN(CC2)C3CC(=O)NC3=O)C4CC(=O)NC4=O A3914/0166490
C1CN(CCC1C2CCN(CC2)S(=O)(=O)N3CCOCC3)C4CC(=O)NC4=O A4231/0180232
C1CN(CCC1N)CC(=O)O A4331/0184680
C1CN(CCC1N)CC(=O)O ZERO/008984
C1CN(CCC1O)CCN A4050/0172757
C1CN(CCC1O)CCN ZERO/004607
C1CN(CCN1)C23CC4CC(C2)CC(C4)C3 A2728/0115836
C1CN(CCN1)C23CC4CC(C2)CC(C4)C3 ZERO/001760
C1CN(CCN1)CC#N A4399/0187788
C1CN(CCN1)CC#N ZERO/009207
C1CN(CCN1)CCC(=O)N A4367/0186406
C1CN(CCN1)CCC(=O)N ZERO/009010
C1CN(CCN1)CCN2C(=O)C3C4CC(C3C2=O)C=C4 A3164/0133867
C1CN(CCN1)S(=O)(=O)CCN A4198/0178721
C1CN(CCN1)S(=O)(=O)CCN ZERO/008636
C1CN(CCN1)c2c(c(c(c(c2F)F)C(F)(F)F)F)F A2302/0097039
C1CN(CCN1C(=O)CCl)C(=O)CCl A0794/0037178
C1CN(CCN1C(=O)CCl)C23CC4CC(C2)CC(C4)C3 A3849/0163514
C1CN(CCN1C(=O)CCl)C23CC4CC(C2)CC(C4)C3 ZERO/005316
C1CN(CCN1C(=O)CSc2nnc(s2)N)C34CC5CC(C3)CC(C5)C4 A3802/0161382
C1CN(CCN1CCC#N)C(=O)c2c(no[n+]2[O-])N A3474/0147316
C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C56CC7CC(C5)CC(C7)C6 A2320/0097840
C1CN(CCN1CN2C(=O)C3C4CC(C3C2=O)C=C4)CN5C(=O)C6C7CC(C6C5=O)C=C7 A2205/0092837
C1CN(CCN1c2c(c(c(c(c2F)F)C(F)(F)F)F)F)C(=O)C34CC5CC(C3)CC(C5)C4 A2326/0098145
C1CN(CCN1c2nc(nc(n2)OCC(F)(F)F)N3CCOCC3)C45CC6CC(C4)CC(C6)C5 A2752/0116922
C1CN(CCN1c2nc(nc(n2)OCC(F)(F)F)NCCO)C34CC5CC(C3)CC(C5)C4 A2711/0115349
C1CN(CCN1c2nc(nc(n2)OCC(F)(F)F)OCC(F)(F)F)C34CC5CC(C3)CC(C5)C4 A2735/0116143
C1CN(CCNC(=O)CCN(CCNC1=O)c2c(c(nc(c2F)F)F)F)c3c(c(nc(c3F)F)F)F A2236/0094124
C1CN(CCOCCOCCN(CCN1CCO)CCO)CCO A1349/0060917
C1CN(COC1)CC([N+](=O)[O-])([N+](=O)[O-])Br A2258/0095087
C1CN(COC1)CN2C(=O)CCC2=O A2260/0095191
C1CN(N=C1C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] A2299/0096872
C1CN/C(=N/O)/C(=N\O)/N1 ZERO/009731
C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7 A2009/0084386
C1CN1c2nc(nc(n2)Cl)N3CC3 A2105/0088428
C1CN1c2nc(nc(n2)Cl)N3CCOCC3 A2804/0118525
C1CN2C(=CSC2=N1)CC(=O)O A4195/0178639
C1CN2C(=CSC2=N1)CC(=O)O ZERO/008543
C1CN2C(=CSC2=N1)CCl A4136/0176342
C1CN2C(=CSC2=N1)CCl ZERO/004853
C1CN2C(C34C=CC(O3)C(C4C2=O)C(=O)O)OC1 A3555/0150746
C1CN2C(N2C1)C3CC3 A2918/0122933
C1CN2C(N2C1)CCCC3N4N3CCC4 A3942/0167857
C1CN2CCC1/C(=N\O)/C2 A3134/0132518
C1CN2CCC1C(C2)(CCl)O A4400/0187853
C1CN2CCC1C(C2)(CCl)O ZERO/009282
C1CN2CCC1C(C2)C(=O)O ZERO/009680
C1CN2CCC1C(C2)CO A4195/0178652
C1CN2CCC1C(C2)CO ZERO/008556
C1CN2CCC1C(C2)OCC(=O)Nc3c(non3)N A2255/0095001
C1CN2CCC1NCC2 A4050/0172761
C1CN2CCC1NCC2 ZERO/004625
C1CN2CCC1c3c2sc(c3C#N)N A3433/0145690
C1CN2CCC1c3c2sc(c3C#N)N ZERO/004523
C1CN2CCC1c3c2snn3 A4030/0171787
C1CN=C(N1)C(=O)N A3505/0148515
C1CN=C(N1)C(=O)N ZERO/005570
C1CN=C2N(C1)C(=CS2)CCl A4157/0177112
C1CN=C2N(C1)C(=CS2)CCl ZERO/008413
C1CN=C2N(C1)C(=O)CS2 A3636/0154277
C1CNC(=O)CN1 ZERO/010003
C1CNC(=O)COCCOCCOCC(=O)N1 A1722/0073361
C1CNC(=O)NC1=O A2439/0103396
C1CNCC(=C1N)C#N A4138/0176394
C1CNCC(=C1N)C#N ZERO/004916
C1CNCC(=C1N)C#N ZERO/004917
C1CNCCC1(CC(=O)O)CC(=O)O ZERO/009983
C1CNCCC1C(=O)N2CCOCC2 A3789/0160879
C1CNCCC1C2CCN(CC2)S(=O)(=O)N3CCOCC3 A4328/0184598
C1CNCCC1C2CCN(CC2)S(=O)(=O)N3CCOCC3 ZERO/008888
C1CNCCC1C2CCNCC2 A4056/0172945
C1CNCCC1C2CCNCC2 ZERO/005555
C1CNCCC1CCCC(=O)O A4367/0186430
C1CNCCC1CCCC(=O)O ZERO/009038
C1CNCCN(C1)c2c(c(c(c(n2)Cl)Cl)C#N)Cl A2776/0117514
C1CNn2c(nnn2)N1 A4323/0184489
C1CNn2c(nnn2)N1 ZERO/008732
C1COC(=O)CN1CC(=O)O A4191/0178554
C1COC(=O)CN1CC(=O)O ZERO/008199
C1COC(=O)N1CCNC(=O)C(=O)NCCN2CCOC2=O A1462/0064454
C1COC(C(O1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F A0644/0029917
C1COC(CO1)CN A4024/0171643
C1COC(CO1)CN ZERO/008040
C1COC2(O1)C(C(=O)C(=C2Cl)Cl)Cl A2757/0117059
C1COC2(O1)C3(CC3(C(=N2)N)C#N)C#N A4053/0172859
C1COC2(O1)C3(CC3(C(=N2)N)C#N)C#N ZERO/004591
C1COC2(O1)CSc3c(sc(=S)s3)SC2 A1899/0079734
C1COC2(O1)[C@@H]([C@@H](C(=C2Cl)Cl)O)Cl A2743/0116551
C1COCC(=C1)C=O ZERO/009719
C1COCC1CCCN A4111/0175266
C1COCC1CCCN ZERO/004821
C1COCCC1C#N ZERO/009883
C1COCCC1CN A4322/0184453
C1COCCC1CN ZERO/008487
C1COCCC1N A4398/0187749
C1COCCC1N ZERO/009164
C1COCCN1/C=C/[N+](=O)[O-] A0610/0028245
C1COCCN1C(=O)C(C(=O)N2CCOCC2)(F)F A3356/0142455
C1COCCN1C(=O)C2=CC3(CC(C2)(CN(C3)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] A2305/0097171
C1COCCN1C(=O)CC#N A2967/0124981
C1COCCN1C(=O)CN(c2c(non2)N)/N=N/c3c(non3)N A1544/0067194
C1COCCN1C(=O)CO/N=C(\c2c(non2)N)/N A1544/0067193
C1COCCN1C(=O)CSc2nc(nc(n2)SCC(=O)N3CCOCC3)SCC(=O)N4CCOCC4 A1404/0062730
C1COCCN1C(=O)Cn2c(nc(n2)Cl)Cl A3872/0164517
C1COCCN1C(=O)Cn2c(nn(c2=O)CC(=O)N3CCOCC3)[N+](=O)[O-] A2991/0126036
C1COCCN1C(=O)Cn2c(nnn2)c3c(non3)N A2452/0103989
C1COCCN1C(=O)N2CCOCCOCCOCC2 A4176/0177922
C1COCCN1C(=O)c2c(c(c(nc2Cl)Cl)Cl)Cl A2760/0117115
C1COCCN1C(=S)Sc2c(c(nc(c2F)F)F)F A2752/0116911
C1COCCN1C2=NC(N=C(O2)C(C(F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F A4242/0180787
C1COCCN1C2=NC(N=C(O2)C(F)(F)F)(C(F)(F)F)C(F)(F)F A4242/0180800
C1COCCN1C2=NC(N=C(O2)N3CCOCC3)(C(F)(F)F)C(F)(F)F A2635/0112199
C1COCCN1C2=NNC(=O)CS2 A3686/0156372
C1COCCN1C2CC(=O)NC2=O A4103/0174954
C1COCCN1CC#CC23CC4CC(C2)CC(C4)C3 A2562/0109164
C1COCCN1CC#CCCO A4198/0178730
C1COCCN1CC#CCCO ZERO/008647
C1COCCN1CC(=O)NN A4424/0188914
C1COCCN1CC(=O)O A4332/0184711
C1COCCN1CC(=O)O ZERO/006334
C1COCCN1CC(CC2C(=O)N(C(=O)N(C2=O)CC(CN3CCOCC3)O)CC(CN4CCOCC4)O)O A1231/0056697
C1COCCN1CC(CN)O A3850/0163570
C1COCCN1CC(CN)O ZERO/008206
C1COCCN1CC(CP(=O)(O)O)P(=O)(O)O A1052/0049337
C1COCCN1CCC(=O)O A4316/0184277
C1COCCN1CCC(=O)O ZERO/006348
C1COCCN1CCCN2CNC(=S)NC2 A3735/0158311
C1COCCN1CCCNC(=O)c2c(non2)N A2534/0107787
C1COCCN1CCN2C3CS(=O)(=O)CC3CC2=O A2935/0123541
C1COCCN1CCN2CC(CC2=O)C(=O)O A4297/0183350
C1COCCN1CCN2CNC(=NC2)NC#N A3540/0150036
C1COCCN1CCN2CNC(=S)NC2 A3735/0158312
C1COCCN1CCNC(=S)NNC(=S)NCCN2CCOCC2 A3305/0140434
C1COCCN1CCc2nnc(s2)N A4000/0170506
C1COCCN1CN2CC(=O)N(C2=O)CN3CCOCC3 A0238/0010688
C1COCCN1CP(=O)(CCNCCCC(=O)O)O A1496/0065624
C1COCCN1Cc2[nH]nnn2 A3830/0162672
C1COCCN1Cc2c(nnn2c3c(non3)N)C(=O)N A1829/0077174
C1COCCN1Cc2c(nnn2c3c(non3)N)C(=O)NN A1382/0061810
C1COCCN1Cc2c(nnn2c3c(non3)N)C(=O)NN ZERO/003062
C1COCCN1Cc2c(nnn2c3c(non3)N)C(=O)O A1822/0077001
C1COCCN1Cc2c(nnn2c3c(non3)N)C(=O)O ZERO/001946
C1COCCN1Cc2nc(no2)c3c(non3)N A4142/0176501
C1COCCN1Cc2nc(no2)c3c(non3)N ZERO/005932
C1COCCN1Cc2nnnn2CC(=O)O A4316/0184311
C1COCCN1Cc2nnnn2CC(=O)O ZERO/006386
C1COCCN1Cc2nnnn2CCC(=O)O A4317/0184341
C1COCCN1Cc2nnnn2CCC(=O)O ZERO/006425
C1COCCN1P(=O)(N2CCOCC2)N3CCOCC3 A3866/0164254
C1COCCN1S(=O)(=O)CCN A4399/0187808
C1COCCN1S(=O)(=O)CCN ZERO/009230
C1COCCN1S(=O)(=O)CCl A3725/0157852
C1COCCN1S(=O)(=O)Cl ZERO/009750
C1COCCN1c2c(c(=S)ss2)Cl A4352/0185686
C1COCCN1c2c(c(c(c(c2F)c3c(c(c(c(c3F)N4CCOCC4)[N+](=O)[O-])N5CCOCC5)F)F)N6CCOCC6)[N+](=O)[O-] A1046/0049028
C1COCCN1c2c(non2)O A4191/0178552
C1COCCN1c2c(non2)O ZERO/008171
C1COCCN1c2c(non2)Oc3c(non3)[N+](=O)[O-] A4121/0175715
C1COCCN1c2c(non2)[n+]3[n-]c4c(n3)non4 A0070/0002945
C1COCCN1c2c(nsn2)Cl A2112/0088693
C1COCCN1c2c(nsn2)Cl ZERO/001413
C1COCCN1c2c(nsn2)O A2111/0088691
C1COCCN1c2c(nsn2)O ZERO/001410
C1COCCN1c2c(nsn2)OCC(=O)N A3637/0154318
C1COCCN1c2c(nsn2)OCC(=O)N3CCOCC3 A3139/0132731
C1COCCN1c2nc([nH]c(=O)n2)N A3661/0155139
C1COCCN1c2nc(nc(n2)Cl)N3CCOCC3 A2214/0093200
C1COCCN1c2nc(nc(n2)N(C(=O)N)N)N3CCOCC3 A2997/0126279
C1COCCN1c2nc(nc(n2)N(CC(=O)N)C#N)N3CCOCC3 A3309/0140651
C1COCCN1c2nc(nc(n2)N)CCl A2084/0087597
C1COCCN1c2nc(nc(n2)N)CCl ZERO/001448
C1COCCN1c2nc(nc(n2)N)CSc3nnc(s3)N A2636/0112238
C1COCCN1c2nc(nc(n2)N3CCOCC3)/C(=N\O)/N A3290/0139999
C1COCCN1c2nc(nc(n2)N3CCOCC3)C#N A2214/0093201
C1COCCN1c2nc(nc(n2)N3CCOCC3)N/N=C/C(CO)O A1335/0060268
C1COCCN1c2nc(nc(n2)N3CCOCC3)N4CCOCC4 A0606/0028061
C1COCCN1c2nc(nc(n2)N3CCOCC3)N=[N+]=[N-] A2683/0114355
C1COCCN1c2nc(nc(n2)N3CCOCC3)NC#N A3309/0140647
C1COCCN1c2nc(nc(n2)N3CCOCC3)NN A2995/0126246
C1COCCN1c2nc(nc(n2)N3CCOCC3)NNC(=S)N A3657/0155035
C1COCCN1c2nc(nc(n2)N3CCOCC3)c4n[nH]nn4 A2914/0122834
C1COCCN1c2nc(nc(n2)N3CCOCC3)c4nnc(n4N)c5nc(nc(n5)N6CCOCC6)N7CCOCC7 A3556/0150823
C1COCCN1c2nc(nc(n2)N3CCOCC3)n4c(c(nn4)C#N)N A3309/0140650
C1COCCN1c2nc(nc(n2)N3CCOCC3)n4c(c(nn4)CO)CO A2914/0122846
C1COCCN1c2nc(nc(n2)O)N3CCOCC3 A2306/0097236
C1COCCN1c2nc(nc(n2)OC/C(=N\O)/N)N3CCOCC3 A2914/0122841
C1COCCN1c2nc(nc(n2)OCC#N)N3CCOCC3 A2914/0122840
C1COCCN1c2nc(nc(n2)OCC(=O)O)N3CCOCC3 A2914/0122832
C1COCCN1c2nc(nc(n2)OCC(=O)[O-])N3CCOCC3 A2916/0122895
C1COCCN1c2nc(nc(n2)OCC(F)(F)F)NCCOC34CC5CC(C3)CC(C5)C4 A2682/0114328
C1COCCN1c2nc(nc(n2)OCCCl)N3CCOCC3 A2298/0096860
C1COCCN1c2nc(nc(n2)SCC(=O)N)N3CCOCC3 A3689/0156541
C1COCCN1c2nc(nc(n2)SCC(=O)NN)N3CCOCC3 A3689/0156531
C1COCCN1c2nc(nc(n2)SCCO)N3CCOCC3 A3661/0155133
C1COc2c(c(oc2C(=O)O)C(=O)O)O1 A3928/0167161
C1COc2c(c(sc2C(=O)O)C(=O)O)O1 A2632/0112030
C1CS(=O)(=O)C(=C1)Cl ZERO/009984
C1CS(=O)(=O)C2C1CC(C(C2)Br)Br A4385/0187204
C1CS(=O)(=O)C=C1 A4325/0184536
C1CS(=O)(=O)C=C1 ZERO/008798
C1CS(=O)(=O)CC1Br ZERO/009895
C1CS(=O)(=O)CC1C(=O)O ZERO/009985
C1CS(=O)(=O)CC1C(C2CCS(=O)(=O)C2)[N+](=O)[O-] A0355/0016355
C1CS(=O)(=O)CC1CCl ZERO/010010
C1CS(=O)(=O)CC1CN ZERO/010107
C1CS(=O)(=O)CC1N A3850/0163555
C1CS(=O)(=O)CC1N ZERO/005408
C1CS(=O)(=O)CC1N2CCOCC2 A1961/0082504
C1CS(=O)(=O)CC1NCC(=O)O A3850/0163556
C1CS(=O)(=O)CC1NCC(=O)O ZERO/005409
C1CS(=O)(=O)CC1NCCCC(=O)O A3850/0163557
C1CS(=O)(=O)CC1NCCCC(=O)O ZERO/005410
C1CS(=O)(=O)CC1NCCCCCC(=O)O A3850/0163558
C1CS(=O)(=O)CC1NCCCCCC(=O)O ZERO/005411
C1CS(=O)(=O)CC1NCCCl A3567/0151361
C1CS(=O)(=O)CC1NCCO A3505/0148497
C1CS(=O)(=O)CC1NCCO ZERO/005188
C1CS(=O)(=O)CC1O A3501/0148406
C1CS(=O)(=O)CC1O ZERO/001774
C1CS(=O)(=O)CC1OC(C(Cl)(Cl)Cl)O A1933/0081345
C1CS(=O)(=O)CCN1 A4399/0187805
C1CS(=O)(=O)CCN1 ZERO/009227
C1CSC(=N1)NC(=O)C(C(F)(F)F)C(F)(F)F A4205/0178998
C1CSC(=N1)NN A3200/0135662
C1CSC(=O)C1NC(=O)CCl A4381/0187122
C1CSC(=O)C1NC(=O)CCl ZERO/006533
C1CSC(=S)NC1=S A2931/0123339
C1CSC2(O1)C3(CC3(C(=N2)N)C#N)C#N A4043/0172404
C1CSC2=NC(NC(=O)N21)(C(F)(F)F)C(F)(F)F A2312/0097547
C1CSC2=N[C@@]3(C[C@H](N21)[C@H]4CO[C@@H]3O4)O A1980/0083295
C1CSCNC1C(=O)O A4398/0187723
C1CSCNC1C(=O)O ZERO/009131
C1CSc2c(sc(=S)s2)SC1 A1873/0078812
C1Cc2c([nH]c3nc(nn3c2=O)CC(=O)O)C1 A4031/0171824
C1Cc2c([nH]c3nc(nn3c2=O)N)C1 A4022/0171575
C1Cc2c(c(c(=O)[nH]c2C(=O)C1)[N+](=O)[O-])C(=O)O A4220/0179696
C1Cc2c(c(c(nc2C(C1)([N+](=O)[O-])[N+](=O)[O-])Cl)C#N)C#N A4413/0188340
C1Cc2c(n(c(=O)[nH]c2=S)N3CCOCC3)C1 A2824/0119262
C1Cc2c(n(nc2C(F)(F)F)CC(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)C1 A3495/0148195
C1Cc2c(n(nc2C(F)(F)F)CC(=O)NCC34CC5CC(C3)CC(C5)C4)C1 A3451/0146561
C1Cc2c(n[nH]c2C(F)(F)F)C1 A3467/0147009
C1Cc2c(nc(c(c2C#N)C#N)I)C1 A4413/0188345
C1Cc2c(nc(c(c2C#N)C#N)N3CCOCC3)C1 A4339/0185044
C1Cc2c(nc(c(c2C(=O)OCCO)C#N)N)C1 A3247/0137935
C1Cc2c(nc(c(c2C3CCC=CC3)C#N)SCC#N)C1 A2479/0105330
C1Cc2c(nc(s2)N)C(C1)C(=O)N A3878/0164818
C1Cc2c(nc3c(c2C4CCC=CC4)c(c(s3)C#N)N)C1 A2479/0105334
C1Cc2c(nnn2c3c(non3)N)C(=O)C1 A1195/0055050
C1Cc2c(nnn2c3c(non3)N)C(=O)C1 ZERO/001915
C1Cc2c(no[n+]2[O-])/C(=N/O)/C1 A3970/0169260
C1Cc2c(no[n+]2[O-])C(=O)C1 A1738/0073845
C1Cc2c(no[n+]2[O-])C(=O)NC1 A1225/0056502
C1Cc2c(non2)-c3c1non3 A1738/0073846
C1Cc2c(non2)/C(=N/O)/C1 A1991/0083715
C1Cc2c(non2)/C(=N/O)/C1 ZERO/000210
C1Cc2c(non2)/C(=[N+](/O)\[O-])/C1 A3981/0169547
C1Cc2c(non2)C(=O)NC1 A0027/0001291
C1Cc2c(sc(c2C#N)N)C1 A2230/0093877
C1Cc2c(sc(c2C#N)N)C1 ZERO/000243
C1Cc2c(sc(c2C#N)N3C(=O)C4C5CC(C4C3=O)C=C5)C1 A2875/0121178
C1Cc2c(sc(c2C#N)NC(=O)C(C(F)(F)F)C(F)(F)F)C1 A2800/0118344
C1Cc2c(sc3c2c(=O)[nH]c(n3)S)C1 A3415/0144882
C1Cc2nc(c(n2C1)C#N)N A4322/0184466
C1Cc2nc(c(n2C1)C#N)N ZERO/008703
C1Cc2nnc(n2C1)C(=O)O A4401/0187906
C1Cc2nnc(n2C1)C(=O)O ZERO/009351
C1N(CN2C3N1C(=O)N4C3N(C2=O)CN(C4)CCC(=O)O)CCC(=O)O A3931/0167330
C1N(CN2C3N1C(=O)N4C3N(C2=O)CN(C4)CCCC(=O)O)CCCC(=O)O A3938/0167687
C1NC(=S)NCN1CCCO A3327/0141242
C1OC2=C/C(=N\O)/C(=O)C=C2O1 A4081/0173930
C1[C@H]([C@@H](CS1)O)N A4331/0184672
C1[C@H]([C@@H](CS1)O)N ZERO/008974
C1[C@H]([C@@H]([C@@H](S1)CCCCC(=O)O)O)NC(=O)N A4416/0188495
C1[C@H]([C@H](CS1)O)N A1326/0059976
C1[C@H]([C@H](CS1)O)N A4416/0188484
C1[C@H]([C@H](CS1)O)NC(=O)N A4237/0180540
C1[C@H]2C1C([C@@H]3OCC2O3)O ZERO/009928
C1[C@H]2[C@H]3CO[C@@H](C1(Nc4n2nc(c4[N+](=O)[O-])[N+](=O)[O-])O)O3 A0030/0001373
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(NC(=O)N2)O)O3 A0127/0005636
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(NC(=O)[C@H]2[N+](=O)[O-])O)O3 A0127/0005612
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(Nc4n2nnn4)O)O3 A0127/0005613
C1[C@H]2[C@H]3CO[C@@H]([C@]1(Nc4c(non4)N2)O)O3 A3684/0156261
C=C(C(=C)S(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)Cl A1981/0083311
C=C(C(C(=O)c1ccccc1)C2(c3ccccc3NC2=O)O)O A1780/0075499
C=C(CC(=O)Nc1ccc(cc1F)F)C(=O)Nc2ccc(cc2F)F A1156/0054073
C=C(CC(=O)O)C(=O)NC(=S)N A2396/0101457
C=C(CO)C1Cc2c(ccc3c2oc(=O)cc3)O1 A4343/0185251
C=C(COC(=O)C1C2CC(C1C(=O)n3c4ccccc4nn3)C=C2)Cl A2208/0092982
C=C(CS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)CC(=C)c3ccccc3)c4ccccc4 A4364/0186253
C=C(CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c2ccccc2 A4376/0186833
C=C(CS(=O)(=O)c1ccc2ccccc2c1)c3ccccc3 A4376/0186837
C=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])c2ccccc2 A4376/0186838
C=C(CSc1nc2c(c3c(s2)CCC3)c(=O)n1c4ccccc4)Br A2543/0108219
C=C(Cn1c2ccccc2nc1C3CCCO3)Br A4276/0182331
C=C(P(=O)(O)O)P(=O)(O)O A2231/0093913
C=C(P(=O)(O)O)P(=O)(O)O ZERO/001488
C=C(c1ccccc1)[n+]2ccc(cc2)C(=O)c3ccccc3 A1881/0079158
C=C1C(c2ccccc2OC(=C1Cl)c3cccs3)c4ccc(cc4)F A3560/0151000
C=C1C(c2ccccc2OC(=C1Cl)c3cccs3)c4ccccc4 A3563/0151145
C=C1C2(CCCCC2)OC(=O)N1C3CCCCC3 A1702/0072489
C=C1C2(CCCCC2)OC(=O)N1CCc3ccccc3 A1732/0073624
C=C1C2(CCCCC2)OC(=O)N1CCc3ccccn3 A3774/0160146
C=C1C2(CCCCC2)OC(=O)N1c3ccc(cc3)Cl A1940/0081557
C=C1C2(CCCCC2)OC(=O)O1 A2111/0088669
C=C1C2(CCCCC2)OC(=O)O1 ZERO/001252
C=C1CC(C1)C(=O)N/N=C/c2ccc(cc2)[N+](=O)[O-] A0487/0022600
C=C1CN=C(S1)N(c2ccc(cc2F)F)C(=O)Nc3ccccc3 A4252/0181297
C=C1Cn2c(nnc2S1)c3ccc(cc3)Cl A3308/0140611
C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C A1129/0052787
C=CC(=O)NC1(C(=O)NC(=N1)c2ccccc2)C(F)(F)F A4246/0180993
C=CC(=O)Nc1cc2c(cc1C(=O)c3ccccc3Cl)OCCO2 A4350/0185595
C=CC(=O)OCCSc1nc(nc(n1)N2CCOCC2)N3CCOCC3 A3911/0166338
C=CC(c1ccccc1)Oc2ccc(cc2)C=O A2548/0108485
C=CC(c1ccccc1)Oc2cccc(c2)C=O A3900/0165899
C=CC(c1ccccc1)Oc2ccccc2C=O A3197/0135507
C=CC/N=C(/N1CCCC1)\SCc2ccccc2 A1908/0080193
C=CC/N=C/1\N(C(=O)CC(S1)C(=O)Nc2ccc(cc2)Cl)CC=C A3363/0142795
C=CC/N=C/1\NC(=O)C(S1