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Virtual screening for IDP 3PEA - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
2
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
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3
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
4
|
|
|
|
5
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
6
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
7
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
8
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
9
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
10
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
11
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
12
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
13
|
|
|
|
14
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
15
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
16
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
17
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
18
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
19
|
c1ccc(cc1)C2=NC(=O)N=C2NC(=O)Nc3ccc(cc3)Cl
|
|
|
20
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
21
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
22
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
|
23
|
CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2
|
|
|
24
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
25
|
CCc1c([nH]c(=O)c(c1Cc2cc(cc(c2)C)C)n3cccc3)C
|
|
|
26
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
27
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
28
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
29
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
30
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
31
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
32
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
33
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
34
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
35
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
36
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
37
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
38
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
39
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
40
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
41
|
c1ccc(cc1)[C@@](CC#CN2CCCCC2)(C3CCCC3)O
|
|
|
42
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
43
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
44
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
45
|
c1ccc2c(c1)ccc3c2[C@@]4(CCO3)c5ccccc5C=C[C@@H]4O
|
|
|
46
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
47
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
48
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
49
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
50
|
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
|
|
|
51
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
52
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
53
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
54
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
55
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
56
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
57
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
58
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
59
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
60
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
61
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
62
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
63
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
64
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
65
|
Cc1cnc(s1)[C@@]2(Cc3ccccc3N4[C@@H]2CCC4)C#N
|
|
|
66
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
67
|
c1cc/2c(cc1)NCC/[NH+]=Cc3c(cccc3)NCC/[NH+]=C2
|
|
|
68
|
COC(=O)[C@@]12CC3CCCCC3[C@@H]([C@@H]1C4C2CCCC4)O
|
|
|
69
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
70
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
71
|
c1cc(ccc1C(=C2C=CC(=N)C=C2)c3ccc(cc3)N)N
|
|
|
72
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
73
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
74
|
|
|
|
75
|
CCN1C(=O)C[C@@]2([C@@]1(c3ccccc3C2=O)O)c4ccccc4
|
|
|
76
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
77
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
78
|
Cc1[nH]c(c(n1)[C@@H](c2ccc(cc2)F)C(C#N)C#N)[O-]
|
|
|
79
|
CC1=Cc2c(c(c(c(c2C(C1)(C)C)c3ccccc3)C#N)N)C#N
|
|
|
80
|
Cc1ccc2c(c1)c(cc(=O)o2)N3C[C@H]4C[C@@H]3c5n4c(=O)ccc5
|
|
|
81
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
82
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
83
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
84
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
85
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
86
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
87
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
88
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
89
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
90
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
91
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
92
|
c1ccc2c(c1)C3C(O2)(C4C3(Oc5c4cccc5)C#N)C#N
|
|
|
93
|
|
|
|
94
|
CCOC(=O)C1CN(C2C1C(=O)[C@@H](CC(=O)N2)C(=O)OCC)C
|
|
|
95
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
96
|
c1ccc(cc1)n2cc3c(n2)C=C[C@@H]4[C@H]3[C@@H]5[C@H]4C6C=C[C@H]7C5[C@H]7C=C6
|
|
|
97
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
98
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
99
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
100
|
|
|
|
101
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
102
|
|
|
|
103
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
104
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
105
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
106
|
|
|
|
107
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
108
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
109
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
110
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
111
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
|
112
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
113
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
114
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
115
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
116
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
117
|
CC[C@@]1(C2CCCN2-C3CCCCC3C(=N1)C4CCCCC4)O
|
|
|
118
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
119
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
120
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
121
|
CN1C=C[C@@H](C2C1CCCC2)[C@@H](C#N)C3CCCCC3
|
|
|
122
|
Cc1ccccc1[C@@H]2N=C(Nc3n2c4ccccc4c(=O)n3)N
|
|
|
123
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
124
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
125
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
126
|
|
|
|
127
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
|
128
|
CCOC(=O)[C@@]12CCCC=C1N(C(=O)CC2)Cc3ccccc3
|
|
|
129
|
CCCCN1c2cccnc2-c3c(cccn3)N(C1=O)CCCC
|
|
|
130
|
CC1(C(=NC(=N)N=C1C(=O)OC)C(=O)OC)C(=O)c2ccccc2
|
|
|
131
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
132
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
133
|
CN1CCCc2c1n(c3ccccc3c2=O)Cc4ccccc4
|
|
|
134
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
135
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
136
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
137
|
c1ccc(cc1)C2=C(C=NC(=C3C=CC(=O)C=C3)N2)c4cnccn4
|
|
|
138
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
139
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
140
|
Cc1ccc(s1)[C@@H]2[C@@H]3CCCC=C3[C@@H]([C@@H](C2(C#N)C#N)N)C#N
|
|
|
141
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
142
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
143
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
144
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
145
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
146
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
147
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
148
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
149
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
150
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
151
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
152
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
153
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
154
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
155
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
156
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
157
|
CCnc(=O)/c(=C/Nc2ccccc2)/s/c1=C(C#N)/C(=O)[O-]
|
|
|
158
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
159
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
160
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
161
|
C[C@@H]1CC[C@@H](C2=C([C@@H]1C)CCCC3(C2)OCCO3)NC(=O)C
|
|
|
162
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
163
|
|
|
|
164
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
165
|
|
|
|
166
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
167
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
168
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
169
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
170
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
171
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
172
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
173
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
174
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
175
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
176
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
177
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
178
|
Cc1cc(c(s1)C)c2c(oc(=O)o2)c3cc(sc3C)C
|
|
|
179
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
180
|
Cc1nc2c3c(ncn2n1)OC4=NN=C([C@H]4[C@H]3c5ccccc5)C
|
|
|
181
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
182
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
183
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
184
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
185
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
186
|
CN(C)C1NC(NC(N1)N(C)CN(C)C2CCCCC2)N(C)C
|
|
|
187
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
188
|
Cc1ccc(cc1)NC(=O)[C@@H]2CC(=O)n3cnnc3N2
|
|
|
189
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
190
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
191
|
C[C@@]1(C(=O)C2CCCN2-C3CCCCC3O1)C4CCCCC4
|
|
|
192
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
193
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
194
|
CC(C)C[C@@H](/C(=C/n1cncn1)/c2ccccc2)n3cncn3
|
|
|
195
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
196
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
197
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
198
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
199
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
200
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
201
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
202
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
203
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
|
204
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
205
|
CCN1[C@@H]2C=CC=C[C@@H]2c3ccccc3[C@@H]1C(Cl)(Cl)Cl
|
|
|
206
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
207
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
208
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
209
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
|
210
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
211
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
212
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
213
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
214
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
215
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
216
|
|
|
|
217
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
218
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
219
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
220
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
221
|
|
|
|
222
|
Cc1cc(c(c(c1)C)Oc2c(c(cc(n2)C)O[C@@H]3CCOC3)C)C
|
|
|
223
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
224
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
225
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
226
|
Cc1[nH]c(=O)c2c(n1)c3c(s2)NC(=O)C[C@@H]3c4ccccc4
|
|
|
227
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
228
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
229
|
c1ccc(cc1)C2(C(=O)NC(=N2)O)c3ccccc3
|
|
|
230
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
231
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
232
|
CCCCc1c(c(=O)n2c(c(cnc2c1SC)C#N)N)C#N
|
|
|
233
|
C[C@@]12C([C@@](C(=O)N1)(C([C@@H](O2)c3ccccc3)(C#N)C#N)C#N)(C)C
|
|
|
234
|
CCC1=C([C@@H](C2=C(N1)CCCC2=O)c3ccccc3)C(=O)OCC
|
|
|
235
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
236
|
c1ccc(cc1)c2c-3n(cccc3oc2=O)c4ccccc4
|
|
|
237
|
|
|
|
238
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
239
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
240
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
241
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
242
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
243
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
244
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
245
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
246
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
247
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
|
248
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
249
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
250
|
|
|
|
251
|
CC(=O)Nc1c(c2c(s1)-c3ccccc3CC2)C#N
|
|
|
252
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
253
|
COC1=CC=C/C(=C/C=C/2C=CC3CCCCC3N2)/C1=O
|
|
|
254
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
255
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
256
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
257
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
258
|
C=CC[C@@H]1CC=C[C@H](N1C(=O)c2[nH]ccn2)c3ccccc3
|
|
|
259
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
260
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
261
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
262
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
263
|
c1ccc(cc1)[C@@H]2N=C(N=C3N2c4ccccc4S3)N
|
|
|
264
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
265
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
266
|
COC(=O)C1=C(Oc2c(=O)cc(oc2[C@@H]1c3ccccc3)CO)N
|
|
|
267
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
268
|
COC(=O)c1ccc(cc1)NC(=O)/C=c/2[nH]s[nH]c(=C)n2N
|
|
|
269
|
C1CCC2C(C1)-C3CCCCC3[C@H]4[C@@H]2CC(=O)O[C@@H]4C(=O)[O-]
|
|
|
270
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
271
|
CC1=CC2=C(C(=O)O[C@@]2([C@@H](C1)C3CCCCC3)C)C(=O)N
|
|
|
272
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
273
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
274
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
275
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
276
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
277
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
278
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
279
|
Cc1cc(c(s1)C)c2c(c(oc2c3cc(sc3C)C)N)C#N
|
|
|
280
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
281
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
282
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
283
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
284
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
285
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
286
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
287
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
288
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
289
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
290
|
CC1(CC2=C[C@@H]3C[C@]2([C@@H]4[C@@H]3CC5=C4CC(OC5=O)(C)C)C(=O)O1)C
|
|
|
291
|
|
|
|
292
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
|
293
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
294
|
c1ccc(cc1)c2c3c(n[nH]2)NC(=O)C[C@H]3c4cccs4
|
|
|
295
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
296
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
297
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
298
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
299
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
300
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
301
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
302
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
303
|
C[C@@H]1c2ccccc2OC(=C1CN3CCOCC3)c4ccccc4
|
|
|
304
|
COCCN1[C@@H]([C@@H](C1=O)Sc2ccccc2)c3cccs3
|
|
|
305
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
306
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
307
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
308
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
309
|
Cc1ccc(n1c2c(ccs2)c3cc([nH]n3)N)C
|
|
|
310
|
c1ccc-2c(c1)[C@]34CCN5[C@H]3C[C@@H](C5=O)c6c4n2c(=O)cc6
|
|
|
311
|
Cc1cc(c(=O)n(c1)Cc2cccc(c2)F)NS(=O)(=O)C
|
|
|
312
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
313
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
314
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
315
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
316
|
C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CCC4=CC(=CC=C3C4)OC
|
|
|
317
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
318
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
319
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
320
|
CCCC(=O)/[NH+]=c/cc(c-2c(oc3ccccc3c2n1)O)C
|
|
|
321
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
322
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
323
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
324
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
|
325
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
326
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
327
|
CCN(c1ccccc1)C2=CC(=O)N[C@@H]3N2CCCC3
|
|
|
328
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
329
|
Cc1ccc(c(c1)n2c3c(nn2)[C@@](CS3)(c4ccccc4)O)C
|
|
|
330
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
331
|
COC(=O)C1=NC(=N)N=C(C12c3ccccc3CC2=O)C(=O)OC
|
|
|
332
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
333
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
334
|
c1ccc(cc1)C2=CC(=O)N3CCN=C3N2c4ccccc4N
|
|
|
335
|
CC(C)(C)Cn1c(cc2c1nc(nc2)C#N)COc3ccncc3
|
|
|
336
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
337
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
338
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
|
339
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
340
|
CC(=O)N1C[C@@H]2CC[C@@]([C@@H]2C1)(c3cccc(c3)OC)O
|
|
|
341
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
342
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
343
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
344
|
c1ccc(cc1)[C@@H]2c3c4ccccc4c(=O)[nH]c3N=C5N2C=CC=C5
|
|
|
345
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
346
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
347
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
348
|
CC1(Cc2ccccc2-c3c1c(=O)oc(n3)c4ccccc4)C
|
|
|
349
|
CC(C)c1cc(=O)[nH]c(n1)[C@@H]2CCCN2C(=O)CCOC
|
|
|
350
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
351
|
c1cc(ccc1[C@@H]2c3cc4c(cc3NC5=C2C(=O)OC5)OCO4)F
|
|
|
352
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
353
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
|
354
|
CCN(CC)/C(=C/C(=O)OCC)/C1CC([NH]C1C)C
|
|
|
355
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
356
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
357
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
358
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
359
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
360
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
361
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
362
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
363
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
364
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
365
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
366
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
367
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
368
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
|
369
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
370
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
371
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
372
|
COc1cc(ccc1O)C#CC#CCN2CCCCC2
|
|
|
373
|
|
|
|
374
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
|
375
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
376
|
CC1=C([C@@H](c2c(c(sc2N1)C#N)N)c3ccncc3)C(=O)OC
|
|
|
377
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
378
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
379
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
380
|
CC(=O)[C@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]4N1C=Cc5c4cccc5
|
|
|
381
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
|
382
|
c1cc(ccc1[C@@]2(NC(=O)N=C3N2C=CC=C3)C(F)(F)F)Cl
|
|
|
383
|
c1ccc2c(c1)-c3ccccc3C24CNC(=O)O4
|
|
|
384
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
385
|
CCN(CC)/C(=C/n1ccccc1=O)/OC(=O)c2ccccc2
|
|
|
386
|
CC1([C@H]([C@@H](c2cnccc2O1)n3ccccc3=O)O)C
|
|
|
387
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
388
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
389
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
390
|
CCc1cc(c(=O)[nH]c1C)[C@@](C#CC2CC2)(C(F)(F)F)OC
|
|
|
391
|
C[C@@H]1C[C@@]2(C(=O)Nc3ccccc3N=C2O1)CC=C
|
|
|
392
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
393
|
c1ccc2c(c1)ccc(c2C3=c4ccccc4=CC[C@@]3(N)O)O
|
|
|
394
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
395
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
396
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
397
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
398
|
Cc1c2c([nH]n1)C(=O)N([C@H]2c3ccccc3)c4ccccn4
|
|
|
399
|
CC1=C([C@@]2(c3ccccc3[C@]1(N=C2OC)C)C)c4ccccc4
|
|
|
400
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
401
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
402
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
403
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
404
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
405
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
406
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
407
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
408
|
CC(=O)[C@@H]1C2=c3c(cccc3=[NH+]C1=O)C(=O)c4c2cccc4
|
|
|
409
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)OC4
|
|
|
410
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
411
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
412
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
413
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
414
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
415
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
416
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
417
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
418
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
419
|
|
|
|
420
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
421
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
422
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
|
423
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
424
|
|
|
|
425
|
CC[C@@H]1c2c(c3ccccc3oc2=O)Oc4c1c(=O)[nH]c(n4)C
|
|
|
426
|
C[C@@H]1CC2=C([C@@H](Sc3ccccc3N2)c4ccccc4)C(=O)C1
|
|
|
427
|
CC(C)NC1=C2C(=Nc3c(ncnc3S2)OC)CC(C1)(C)C
|
|
|
428
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
429
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
430
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
431
|
C1CCC(CC1)C2=C3[C@@H](CC4C2CCCC4)CNC3=O
|
|
|
432
|
COc1cc(c(n1c2ccccc2)Oc3ccccc3)C#N
|
|
|
433
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
434
|
CCc1nnc(o1)CN(C(C)C)C(=O)c2c(ocn2)C3CC3
|
|
|
435
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
436
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
437
|
CC(C)[C@H]1C(=N[C@@H](C(=N1)OC)Cc2cc(ccc2F)F)OC
|
|
|
438
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
439
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
440
|
Cc1c2c(n3c(n1)c(cn3)C#N)N(CC2)Cc4ccco4
|
|
|
441
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
|
442
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
443
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
|
444
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
445
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
446
|
C[C@@]12CCC3=C([C@@H]1CC[C@@H]2O)CC4CNN(C4C3)C5CCCCC5
|
|
|
447
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
448
|
c1ccc2c(c1)ccc3c2C4=C(CCC4)[C@@H](N3)c5ccncc5
|
|
|
449
|
COc1ccc(cc1)NC(=O)NC2=C(CCC2)C(=O)OC
|
|
|
450
|
CC[C@@]1(CN(CC=C1)C(=O)OC2CCCCC2)CC(=O)N(C)C
|
|
|
451
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
452
|
CC1=C[C@@]2(C3CCCCC3C(=O)[C@@H]2C(=O)N1)C4CCCCC4
|
|
|
453
|
c1cnc(nc1)N2[C@@H]3C[C@H](C2(C(F)(F)F)C(F)(F)F)C=C3
|
|
|
454
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
455
|
|
|
|
456
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
457
|
CC1CCC(CC1)S(=O)(=O)N2CCN3C2C(CN3)C#N
|
|
|
458
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
459
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
460
|
CN1CCN(CC1)C2=Cc3ccccc3Sc4c2cccc4
|
|
|
461
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
462
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
463
|
Cc1cc([nH]c(=O)c1C2=NCCN=C(C2)C(F)(F)F)C
|
|
|
464
|
CO[C@@H]1C[C@@]23C(=CCN2CC[C@@H]4C3=CC(=O)OC4)C=C1
|
|
|
465
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
466
|
c1ccc(cc1)[C@@H]2[C@@H]3CCCCC3=C4CCCC[C@@]4(O2)O
|
|
|
467
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
468
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
469
|
|
|
|
470
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
471
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
472
|
COc1ccc(cc1)/C=C/c2nc3c(o2)C=CCC3
|
|
|
473
|
CCCCN1c2cccnc2-c3c(cccn3)N=C1c4ccccc4
|
|
|
474
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
475
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
476
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
477
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
478
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
479
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
480
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
481
|
c1ccc(cc1)S(=O)(=O)[N-]c2c3ccccc3oc2C#N
|
|
|
482
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
483
|
Cc1[nH]c(=O)c(c(n1)Sc2cccn2C)C(F)(F)F
|
|
|
484
|
|
|
|
485
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
486
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
487
|
C1CCC(CC1)[C@@H]2[C@@H]3CCCCC=C3C(=C(C2=O)C#N)N
|
|
|
488
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
489
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
490
|
|
|
|
491
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
492
|
CN(C)C(=O)NCCN1CCCCCc2c1cccc2
|
|
|
493
|
CCOC(=O)[C@@]1(C(=O)Nc2ccccc2S1)c3cccn3C
|
|
|
494
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
495
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
|
496
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
497
|
Cc1cc([nH]c(=O)c1C2=NCCNC(=C2)C(F)(F)F)C
|
|
|
498
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
|
499
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
|
500
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
501
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
502
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
503
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
504
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
505
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
|
506
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
507
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
508
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
509
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
510
|
Cc1c(c(n[nH]1)O)n2c3ccccc3c(=O)c4c2cccc4
|
|
|
511
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
512
|
C/C=C/[C@@H]1C=CC2CCCCC2[C@@]1(C)C3=NC(CO3)(C)C
|
|
|
513
|
CC1([C@@](c2ccccc2O1)(c3ccc4ccccc4n3)O)C
|
|
|
514
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
515
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
516
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
517
|
CC1(C=C(c2c1ccc(c2)C#N)n3ccccc3=O)C
|
|
|
518
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
519
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
520
|
CC1=C([C@@]2(N(C1=O)c3ccccc3N2C(=O)C)OC(=O)C)C
|
|
|
521
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
|
522
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
523
|
c1ccn(c1)c2c(c(c(o2)c3cccs3)C#N)c4cccs4
|
|
|
524
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
525
|
CC1([C@@H](N(C(=O)N1C)c2cccc3c2cccc3)n4cncn4)C
|
|
|
526
|
CC(C)c1nc2n(n1)C3(CCCCC3)[C@@H]4CCCC[C@@H]4N2
|
|
|
527
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
528
|
|
|
|
529
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
530
|
|
|
|
531
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
532
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
533
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
|
534
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
535
|
CCOC(=O)c1c(c(ccc1N(C)C)[C@@H]2C=CNC(=O)N2)C
|
|
|
536
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
537
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
538
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
539
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
540
|
Cc1ccc(cc1)[C@@H]2N=C(C(=N2)c3ccccc3OC)C
|
|
|
541
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
542
|
C[C@@H]1C(=N[C@@]2([C@@]1(c3ccccc3-c4c2cccc4)O)O)C
|
|
|
543
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
544
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
545
|
C[C@@]12C(c3ccccc3N1Cc4cc(ccc4O2)N)(C)C
|
|
|
546
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
547
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
548
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
549
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
550
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
551
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
552
|
CCOC(=O)C1=C(NC(=C2[C@@H]1c3ccccc3OC2=O)C)C
|
|
|
553
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
554
|
C[C@@]12[C@@H](CC(=O)O1)C(O2)(C3CCCCC3)C4CCCCC4
|
|
|
555
|
Cn1c(cc(c1c2ccsc2)c3ccsc3)c4cccs4
|
|
|
556
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
557
|
COc1cc2c(cc1OC)[C@@H]3CC4=C(CCCN4)C(=O)N3CC2
|
|
|
558
|
C1CC2C3=C4[C@@H](C=C3C1)NC(=O)[C@]45CCCC[C@@H]5C2
|
|
|
559
|
CC1=C([C@@H]([C@@H](O1)c2ccccc2)c3ccc(cc3)OC)C(=O)[O-]
|
|
|
560
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
561
|
Cc1ccc(n1C2c3ccccc3Oc4c2cccc4)C
|
|
|
562
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
563
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
564
|
CNC(=O)c1c(n(nn1)C)Sc2c(nns2)C(=O)NC
|
|
|
565
|
CC=NC2CCCCC2/C1=C/3C4CCCCC4C(=O)NN3
|
|
|
566
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|