1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
|
CC(C)C(=O)/C=C/CCCC#C CID_11788481
CCC(=O)Oc1cccc(c1)/C=C\2/C(=O)OC(=N2)c3ccc(cc3Cl)N(=O)=O CID_19674073
CC(C)C\1=NCCS/C1=N/OC(=O)N(C)SN2CCOCC2 CID_20399596
Cc1ccc(cc1)Cc2nc(sn2)N3CCN([C@H](C3)C)C(=O)Nc4ccccc4C CID_7301461
CN1c2ccccc2/C(=N\NC(=O)CNc3ccc(cc3)OC)/C1=O CID_24418609
CSc1ccc(cc1)/C=C(\C#N)/C(=O)Nc2cc(cc(c2)Cl)Cl CID_7970236
C[C@H](c1ccc(cc1)c2csc(n2)NC(=O)C3CCOCC3)NC(=O)C CID_29688408
Cc1c(s/c(=N\C(=O)c2ccc(cc2)C(=S)N)/n1Cc3ccccc3)C(=O)NCCC(=O)OC CID_15337540
C[C@@H]1CCCN1CCc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4 CID_24885463
c1ccc(cc1)[C@H]2COC(=O)CC/C=C/[C@H]3[C@H]([C@@H]4C(=O)N([C@@H]5[C@@]4(O3)C=CCN(C5=O)CCN6CCOCC6)CCCO)C(=O)N2 CID_24093100
C[C@@H](c1ccccc1)OCc2ccc(o2)C(=O)O CID_28174021
Cc1cc(ccc1OC[C@H](CN2CCNC(=O)C2)O)C(C)(C)C CID_25575735
COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(cc3)OCCOc4ccccc4)/C(=O)NC2=O CID_2248673
Cc1ccc(cc1C)S[C@H](C(C)C)C(=O)O CID_28366712
CC(C)Oc1cccc(c1)C(=O)[C@H]2CCCN(C2)Cc3cnc(s3)N(C)C CID_25372553
C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)NN/C=C\4/C=C(C=C(C4=O)Br)Cl CID_44167615
COc1ccc(c(c1OC)OC)/C=N\NC(=O)c2ccc(cc2)CSc3ccc(cc3)Cl CID_29153962
CC(C)(C)OC(=O)n1cc(nc1)C[C@@H](C(=O)O)N2CC[C@H](C2=O)Cc3ccccc3 CID_18648854
C[C@@H](C(=O)Nc1ccccc1F)N2CCN(CC2)C/C=C/c3ccccc3 CID_8484979
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)c2cn(c(=O)n(c2=O)C)C)O)O CID_21791982
CC(C(=O)Nc1ccccc1F)C(=O)N/N=C/c2cc(c(cc2OC)OC)Br CID_4221781
CCOCCn\1c2ccc(cc2s/c1=N/C(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC CID_43937340
COC(=O)CCN1CCN(CC1)CC2CN(C(=O)O2)c3ccc(cc3)/C(=N\C(=O)OCc4ccccc4)/N CID_22434983
C/C(=N/Nc1ccc(cc1N(=O)=O)S(=O)(=O)Nc2ccccc2)/c3ccc(cc3)N4CCOCC4 CID_6028771
CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)[S@](=O)CC5(CC5)CC(=O)O)O CID_10555576
Cc1c(c(on1)C)NC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]([C@H](O3)CN(C)C(=O)Nc4ccc(cc4)C(F)(F)F)C)[C@H](C)CO CID_44500431
c1ccc(c(c1)[C@@H]2C3=C(C[C@@H](CC3=O)c4cccc(c4)Cl)Nc5n2c6ccccc6n5)F CID_41118023
CCCCc1ccc(cc1)/C=N/N=C/c2ccc(cc2)CC/C=C/C CID_19368798
COc1ccc(cc1)C(=O)N/C(=C\c2ccc(o2)c3ccccc3N(=O)=O)/C(=O)N4CCCCC4 CID_5736235
CN1C(=O)C[C@]2(O1)CN3CCC2C3 CID_44355010
c1cc(ccc1NC(=O)[C@@H]2CCCN(C2)c3ccc4nncn4n3)Br CID_39351917
C[C@H](CC(=O)O)c1ccc(cc1)OCc2ccc(c(c2)c3cc(ccc3F)OC)C(C)(C)C CID_25057314
CC(/C=C/c1ccco1)OCC#C CID_24973696
Cc1cn(c(=O)n1/N=C/c2cccnc2)N=C CID_19350731
C[C@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)NC3CCCCC3)NC(=O)Nc4ccccc4)[C@@H](C)CO CID_44492944
Cc1ccc(cc1)/C=C\2/C(=O)OC(=N2)c3cc(ccc3Cl)I CID_19673544
CC/N=C(\N)/SCc1cc(=O)oc2c1cc(c(c2)C)C CID_8774951
C[C@@H](C(=O)N1CCCCCC1)OC(=O)c2ccc3c(c2)C(=O)N(C3=O)C CID_29630488
CCC(=O)N1CCC2(CC1)N([C@@H](CO2)C(=O)N3CCCC3)C(=O)c4ccco4 CID_8103749
C[C@@H](CCC(C)C)N[C@@H](C)c1ccccc1Cl CID_29280009
CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(C)C(=O)O CID_5355319
COc1ccc(cc1F)/C=N\NC(=S)NCc2ccc3c(c2)OCO3 CID_8979654
Cc1c(cco1)C(=O)/C(=C/c2csc(n2)N(c3ccccc3)C(=O)C)/C#N CID_9366640
C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC(C(C(CC(=O)CC(C(CCC(CC(CC(CC(=O)OC(C(C(C(/C=C\C=C/CC/C=C\C=C/C=C\C=C2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)O)N)O CID_441086
Cc1ccc(n1C)C(=O)N2CC[C@@H]3[C@H]2CNC3 CID_43594537
CC(=O)N[C@@H](C1CCCC1)C(=O)OCc2nc(no2)c3ccc(cc3)F CID_40094309
CCc1ccc(cc1)NC(=O)CSC2=NN/C(=C/3\C=Nc4c3cccc4)/N2c5cccc(c5)OC CID_43947763
CN(C)C[C@H]1CCC[C@@H](C1=O)CN2CCCCC2 CID_6712957
C=CCN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)NC[C@@H](c3cccs3)N4CCOCC4 CID_25671952
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2CC=CCO2)C(C)(C)c3ccccc3 CID_11313878
CCN1C(=O)/C(=C/2\N(c3ccccc3O2)CCCS(=O)(=O)O)/SC1=S CID_20152763
Cc1ccc(c(c1)C)CN2C[C@@H](C[C@H]2C(=O)OC)NC(=O)c3ccc(cc3OC)OC CID_45488839
CC1(CCC(CC1)OC(=O)N2CC[C@@H](C2)C(=O)NCc3ccc(c(c3)OC)O)C CID_44513490
CCC(=O)c1ccc(cc1)OC[C@@H](CN(CCO)CCO)O CID_8085469
C1CCC(CC1)S/C=C\2/CCC=CC2 CID_22883400
CC[C@H](C)NC(=O)CSc1nnc(n1CC)c2cc(nc3c2cccc3)c4ccc(cc4)C CID_25526941
C[C@H]1CCCOC1 CID_641551
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3cc(ccn3)N(C)c4ccc(cc4)F)NC CID_24857542
CC(C)COc1ccc(cc1OC)/C=C\2/C(=O)N(/C(=N\N=C/c3ccccc3)/S2)Cc4ccco4 CID_19245822
CC(C)(C)OC(=O)N[C@@H](CO)COC(=O)Cc1ccccc1 CID_11392713
CC(C)CCNC(=O)[C@@H](c1ccc(cc1)F)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3 CID_25455880
Cn1cc(cn1)C(=O)/C=C/c2ccc(o2)COc3ccccc3OC CID_19543278
CCCCN1CC=C[C@@]23[C@@H]([C@@H]4[C@H](O2)C=CCOC4=O)C(=O)N(C3C1=O)[C@H](C)CO CID_24004953
CN(C)[C@@H](CNC(=O)Cc1ccc(cc1)F)c2ccc(cc2)F CID_41453631
COC(=O)/C=C/c1ccc(c(c1)Cl)OS(=O)(=O)C(F)(F)F CID_11256448
CC1(CC(=O)/C(=C\NCCc2ccc(c(c2)OC)OC)/C(=O)C1C(=O)OC)C CID_2834704
C[C@@H]1CC[C@@H](C2=CC(=O)CC[C@@H]12)[C@@H](C)C(=O)OC CID_10848303
CCO[C@H]1C[C@@H](C=C(O1)C#N)c2ccccc2 CID_13763598
COc1ccc(cc1)[C@H](CCO)CN(=O)=O CID_24740937
CCOc1cc(c(cc1OCCO)F)C(C(=O)OCC)Nc2ccc(cc2)/C(=N/C(=O)c3cc(cc(c3)OC)OC)/N CID_10188538
c1cc(ccc1[C@H]2c3cc4c(cc3CCN2)OCCO4)F CID_40466034
CC[C@@H]1[C@@](C[C@@H](CN([C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)(C)O CID_44303246
CC(=O)c1ccc(cc1)c2ccc(o2)/C=c\3/c(=O)n4c(s3)nc(n4)c5ccc(cc5)F CID_4366726
Cc1ccc(o1)C(C)(C)C[C@@H](C)N2CCC[C@H](C2)C(=O)O CID_31160480
CCCC1CCC(CC1)N[C@@H]2CCOC2=O CID_28609432
C=CCC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1 CID_10659596
CC(C)(c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N/C(=N/CCN4CCCC4)/N CID_18693775
CC(=O)N(c1ccccc1F)c2nc(cs2)/C=N\N3CCN(CC3)C CID_9058580
C[C@@H]1CN(CCO1)Cn2c3ccccc3oc2=O CID_31882357
CC(C)(C)c1ccc(cc1)/C=C/c2ccc3c(c2)C(=O)N4CC(C[C@H]4CN3)NC(=O)c5cnccn5 CID_11167569
c1ccc(cc1)[C@@H]2[C@@H](C2(Cl)Cl)c3ccc(cc3)OCCN4CCCCC4 CID_10385701
Cc1c(nc2ccccc2n1)SCC(=O)N[C@H]3CCCC[C@H]3C CID_36469839
CCCC(CC)CC(/C=C/C1C(CC(C1CCCC/C=C/C(=O)OCC)O)OC2CCCCO2)OC3CCCCO3 CID_21569380
CC[C@H]1CCCCN1Cn2c(=S)n(c(n2)c3cccc(c3)Br)C CID_8133512
Cc1cccc(c1)OCc2nnc(o2)SCC(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4 CID_25432502
CCOC(=O)c1c(n(c2c1/C(=N/Nc3ccccc3)/C(=O)C(=C2)Br)c4ccc(cc4)Cl)C CID_10052137
CC12CCC/C(=C\C=C/3\CC(CC(C3=C)O)O)/C1CCC2C/C=C/C(C4CC4)OC(=O)NC CID_10226212
C[C@H](c1ccco1)NCC(=O)Nc2ccccc2C#N CID_8918047
c1ccc(c(c1)/C=C(\C#N)/C(=O)NCC2CCCO2)OCC#N CID_3142429
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)ON4C(=O)CCC4=O CID_1218122
C[C@H](/C=C/[C@H](C)C(C)C)C1CCC2C1(CCC3=C2C(=O)C[C@@H]4C3(CCC(C4)OC(=O)C)C)C CID_45044531
CCn1nc(nn1)c2cccc(c2)C(=O)N[C@@H]3CCN(C[C@@H]3c4ccc(c(c4)OC)OC)C CID_20637949
c1ccc(cc1)COC(=O)N2CCOC[C@H]2C(=O)O CID_1514262
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc3cc(ccc3Cl)Cl CID_7870513
Cc1ccc(cc1)COc2ccc(cc2OC)[C@H]3c4c([nH]c(=O)s4)S[C@H]5[C@@H]3[C@@H]6C[C@H]5[C@@H]7[C@@H]6C(=O)N(C7=O)c8ccc(cc8)Cl CID_19250596
c1cc(cc(c1)S(=O)(=O)N2CCCC2)C(=O)N/N=C\c3ccc(c(c3)Cl)Cl CID_6062619
CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N CID_10100181
CC[C@@H]1C[C@@]1(C(=O)O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC3C[C@H]4C[C@H]4C3)Oc5cc(nc6c5ccc(c6Cl)OC)c7cc(on7)C(C)C CID_25167946
COc1ccc2cc(ccc2c1)/C=C/C(=O)OCC(=O)Nc3ccc(cc3Cl)F CID_8516682
Cc1cc(cc2c1N/C(=C\3/C(=CC=NC3=O)NC(CO)C(c4ccccc4)O)/N2)n5ccnc5 CID_23541862
|
