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Virtual screening for IDP 3UUW - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
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2
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c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
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3
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CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
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4
|
|
|
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5
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
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6
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c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
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7
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
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8
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C[C@@H](Cc1ccccc1)N(CC#C)C(=O)OC2=CCN(CC2)C
|
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|
9
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
10
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
11
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
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12
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
13
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
14
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
15
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
16
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
17
|
CC1=Cc2c(c(c(c(c2C(C1)(C)C)c3ccccc3)C#N)N)C#N
|
|
|
18
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
19
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
20
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
21
|
CC(C)(C)c1cc(cc([o+]1)C(C)(C)C)c2cn(c3c2cccc3)C
|
|
|
22
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
23
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
24
|
c1cc(ccc1C(=C2C=CC(=N)C=C2)c3ccc(cc3)N)N
|
|
|
25
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
26
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
27
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
28
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
29
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
30
|
CC1(c2ccccc2N([C@@]13C=Nc4c5cccnc5ccc4O3)C)C
|
|
|
31
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
32
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
33
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
34
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
35
|
Cn1c(cc(c1c2ccsc2)c3ccsc3)c4cccs4
|
|
|
36
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
37
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
38
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
39
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
40
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
41
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
42
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
43
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
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44
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
45
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
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46
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
47
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
48
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
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|
49
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
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50
|
CCOC(=O)C1=C(N=C2Nc3ccccc3N2[C@@H]1c4ccco4)C
|
|
|
51
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
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52
|
Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
|
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|
53
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
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|
54
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
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55
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
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56
|
C1CCC2C(C1)C=CC23C(=O)C4CCCCC4C3=O
|
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|
57
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
58
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
59
|
c1ccc2c(c1)c(=O)cc(o2)c3cc(cc4c3OCOC4)Cl
|
|
|
60
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
61
|
CCOC(=O)C1=C2[C@@H](c3ccccc3OC2=O)N(C(=O)C1)C
|
|
|
62
|
|
|
|
63
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
64
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
65
|
CC1(CC2=C[C@@H]3C[C@]2([C@@H]4[C@@H]3CC5=C4CC(OC5=O)(C)C)C(=O)O1)C
|
|
|
66
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
67
|
C[C@@H]1C2=C(CC(=O)N=C2C)C(=O)N1Cc3ccccc3
|
|
|
68
|
c1ccc(cc1)S(=O)(=O)N2C=Cc3ccccc3[C@@H]2C#N
|
|
|
69
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
70
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
71
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
72
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
73
|
CCOC1=C[C@@H](Oc2c1cccc2)c3ccc(cc3)F
|
|
|
74
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
75
|
CC1=CC(=Nc2ccccc2N1)c3c(=O)c4ccccc4n(c3[O-])C
|
|
|
76
|
COc1ccc2c(cc(=O)oc2c1)c3c(c4ccccc4s3)O
|
|
|
77
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
78
|
Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
|
|
|
79
|
CCc1c2c(n(n1)C3CCCC3)C(=O)N(CC2)c4ccccc4
|
|
|
80
|
C[C@]12CN(C[C@H]1NC(=O)c3ccccc3C2=O)C(=O)C4CC4
|
|
|
81
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
82
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
83
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
84
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
85
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
86
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
87
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
88
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
89
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
90
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
91
|
|
|
|
92
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
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93
|
c1ccn(c1)c2c(c(c(o2)c3cccs3)C#N)c4cccs4
|
|
|
94
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
95
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
96
|
c1ccc2c(c1)[C@@H](C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
|
|
|
97
|
Cc1ccc(n1c2c(c(c(o2)c3ccco3)c4ccco4)C#N)C
|
|
|
98
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
99
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
|
100
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
101
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
102
|
CN1c2ccccc2C(=O)c3ccc(cc3S1(=O)=O)Cl
|
|
|
103
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
|
104
|
c1ccc2c(c1)ccc(c2C3=c4ccccc4=CC[C@@]3(N)O)O
|
|
|
105
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
106
|
CC1(COC(=N1)CN(Cc2ccccc2)Cc3ccccc3)C
|
|
|
107
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
108
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
109
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
110
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
111
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
112
|
c1ccc(cc1)[C@@](CC#CN2CCCCC2)(C3CCCC3)O
|
|
|
113
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
114
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
115
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
|
116
|
|
|
|
117
|
CN1c2ccccc2S[C@@]13COc4ccccc4O3
|
|
|
118
|
[H]/N=c/n(cc(s1)c2ccccc2)c3ccccc3C
|
|
|
119
|
c1ccc(cc1)c2c3c(nc(s3)C#N)n(n2)c4ccccc4
|
|
|
120
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
121
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
122
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
123
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
124
|
|
|
|
125
|
c1cc(ccc1c2csc3=N[C@H]4CCCN4C(=c23)O)Cl
|
|
|
126
|
CCOc1ccc(cc1)NC(=O)CN/C2=Nc3ccccc3F
|
|
|
127
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
128
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
129
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
130
|
Cc1ccc(c2c1CC(O2)(C)C)n3c(ccc3C)C
|
|
|
131
|
CCOC(=O)C1C(C2C(S1)N(C(=O)S2)C3CCCCC3)[O-]
|
|
|
132
|
CC1(c2ccccc2N([C@@]13C=Cc4cc(ccc4O3)O)C)C
|
|
|
133
|
CC1=CC(=C2C=CC(=[O+]C)C=C2)C=C(S1)c3ccccc3
|
|
|
134
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
135
|
c1ccc(cc1)[C@@H]2N(C(=O)C=C(O2)c3ccccc3)c4ccccc4
|
|
|
136
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
137
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
138
|
CCN1C=CC(=C2N=C3CCCCC3=N2)C4C1CCCC4
|
|
|
139
|
CCOC(=O)c1nn(c2n1c(=O)cc(n2)N)c3ccccc3
|
|
|
140
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
141
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
142
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
|
143
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
144
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
145
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
146
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
147
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
148
|
CCCCC1=N[C@@H]2[C@@H](c3c(c(ncn3)OC)S2)C4=C1CCC4
|
|
|
149
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
150
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
151
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
152
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
153
|
c1ccc(cc1)/C/2=N/CCOC(=O)c3c2cccc3
|
|
|
154
|
Cc1cc(c(=O)n(c1)Cc2cccc(c2)F)NS(=O)(=O)C
|
|
|
155
|
Cc1ccc(c(c1)C)C2=CSc3ccccc3N2
|
|
|
156
|
C1CC(CCC1CC2CC(=O)C3C(S2)CCS3)F
|
|
|
157
|
COc1ccc(cc1)C2=C(C(=O)N3CCC[C@@H]3C2)c4ccccn4
|
|
|
158
|
CCCCN1[C@@H](C(=C(C1=O)C)C)Sc2ccc(cc2)OC
|
|
|
159
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
|
160
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
161
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
162
|
|
|
|
163
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
164
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
165
|
c1cc2c(cc1CN3[C@@H]4C=CC=C[C@H]4C(=O)C3=O)OCO2
|
|
|
166
|
c1ccc2c(c1)[C@@H]3[C@H]4C3C(=O)NC2c5c4cccc5
|
|
|
167
|
Cc1ccc(cc1)C2=CSNC(=N2)c3ccccc3OC
|
|
|
168
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
169
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
170
|
CC1(C=C(c2cc(ccc2C1=O)F)n3ccccc3=O)C
|
|
|
171
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
172
|
c1cc(oc1)c2c3c(c(c(c2C#N)N)C#N)CCCC3
|
|
|
173
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
174
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
175
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
176
|
c1ccc(cc1)c2nn3c(nnc3s2)c4cc5ccccc5[nH]4
|
|
|
177
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
178
|
c1ccc(cc1)N2[C@H]3C[C@@H]4[C@@H]2[C@@H](CC3=O)c5c4cccc5
|
|
|
179
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
180
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
|
181
|
C1CCC(CC1)C2=C3CC[C@@H]4[C@@H]3N(CCCC4)C(=O)O2
|
|
|
182
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
183
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
184
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
185
|
CC1=c2c(=CC(=C3C=CC(=O)C=C3)N1)c4ccccc4oc2=O
|
|
|
186
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
187
|
CCOC(=O)c1c(cn2c1SCC2=O)c3ccc(cc3)F
|
|
|
188
|
CC1(Cc2c(c3nncn3c(n2)c4ccccc4)CO1)C
|
|
|
189
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
190
|
COC1CCC2C(C1)O[C@@]3(C4CC5C(CC4O[C@@H]3C2)OCO5)O
|
|
|
191
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
|
192
|
Cc1c(n(c(c1S(=O)(=O)c2ccccc2)N)C3CC3)C
|
|
|
193
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
194
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
195
|
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
|
|
|
196
|
|
|
|
197
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
198
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
199
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
200
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
201
|
c1ccc(cc1)C2=CC(=Nn3c(nnn3)N2)c4ccccc4
|
|
|
202
|
c1ccc(cc1)/C/2=[NH+]/CCNC(=O)c3c2cccc3
|
|
|
203
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
204
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
205
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
206
|
[H]/N=C/1N[C@H](N/C(=N/c2ccc(cc2)Cl)/N1)c3ccc(cc3)OC
|
|
|
207
|
CCOC(=O)C1=C(NC(=C2[C@@H]1c3ccccc3OC2=O)C)C
|
|
|
208
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
209
|
C1CCC(C(C1)C2CCCCC2C3=NC3)C4=NC4
|
|
|
210
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
211
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
212
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
213
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
214
|
c1cc2c(cc/3c(c2)/C=Nc4c(cccc4)/N=C3)cc1
|
|
|
215
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
216
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
217
|
c1ccc(cc1)c2c3c(c(c(c2C#N)N)C#N)CCC3
|
|
|
218
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
219
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
220
|
CN1c2ccccc2[C@@](C1=O)(c3nnc(o3)c4ccccc4)O
|
|
|
221
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
222
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
223
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
224
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
|
225
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
226
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
227
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
228
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
229
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
230
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
231
|
COC(=O)[C@@]1(N=C2C=CC=CN2C(=N1)c3ccco3)C(F)(F)F
|
|
|
232
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
233
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
234
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
235
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
236
|
c1ccc(cc1)c2cc(sc(=[N+]3CCCC3)c2)c4ccccc4
|
|
|
237
|
CCOC(=O)C=NN=C/C1=N/NSC2CCC(CC2)C
|
|
|
238
|
Cc1c(sc(n1)C)c2cc(n3c(n2)c(cn3)c4ccccc4)[O-]
|
|
|
239
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
240
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
241
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
242
|
CC1=C(C[C@@H](C(=O)N1)C#N)c2ccc(cc2)n3ccnc3
|
|
|
243
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
244
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
245
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
246
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
|
247
|
c1ccc(cc1)C2=C[C@@H](N3C(=[NH+]2)N=NN3)c4ccco4
|
|
|
248
|
CC(=O)Nn1c(cn2c3ccsc3cc2c1=O)c4ccccc4
|
|
|
249
|
COc1ccc(cc1)C2=Nn3c(nnn3)-c4ccccc4C2
|
|
|
250
|
CC1CCC(CC1)S(=O)(=O)N2CCN3C2C(CN3)C#N
|
|
|
251
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
252
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
253
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
254
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
255
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
256
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
257
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
258
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
259
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
|
260
|
CC(=O)N1CC2CC3C(C4C2C1CCC4)C[C@@H](CN3C)OC(=O)C
|
|
|
261
|
c1ccc(cc1)[C@@H]2Nc3c(cnn3c4ccccc4)C(=O)N2
|
|
|
262
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
263
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
264
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
265
|
COC1=C(C(=O)O[C@@H]2[C@@H]1C=CC=C2)Cc3ccccc3
|
|
|
266
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
267
|
CN(C)c1c(c(c(c([o+]1)N)C#N)c2ccc(cc2)OC)C#N
|
|
|
268
|
CNC1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl
|
|
|
269
|
|
|
|
270
|
CN1C=C[C@@H](C2C1CCCC2)[C@@H](C#N)C3CCCCC3
|
|
|
271
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
272
|
CN1C=CC2=C(Cn3c(nc(n3)c4ccccc4)C2=C1)C(=O)OC
|
|
|
273
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
274
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
275
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
276
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
277
|
C1CCC(CC1)[S@@]2(=NC3C(CCCC3O)C=C2)=O
|
|
|
278
|
c1ccc(cc1)C2=N[C@@H]3N(C2)c4ccc(cc4S3)C(=O)[O-]
|
|
|
279
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
280
|
CC1(C=C(c2cc(ccc2C1=O)Br)c3ccccn3)C
|
|
|
281
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
282
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
283
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
284
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
285
|
c1ccc2c(c1)cccc2[C@H]3C(=O)c4ccsc4O3
|
|
|
286
|
CC1CC(NN2C1C(NC2SC)C3CCCCC3)C
|
|
|
287
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
288
|
Cc1ccc2c(c1)c(cc(=O)o2)N3C[C@H]4C[C@@H]3c5n4c(=O)ccc5
|
|
|
289
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
290
|
Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C=C2
|
|
|
291
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
292
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
293
|
c1ccc2c(c1)Cc3ccccc3N=C2C#N
|
|
|
294
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
295
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
296
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
297
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
298
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
|
299
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
300
|
Cc1c(ccc(=O)n1c2ccccc2)n3c4ccccc4nn3
|
|
|
301
|
CC(C)(C)c1cc(c2c([o+]1)-c3ccccc3OC2)c4ccccc4
|
|
|
302
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
303
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
304
|
c1ccc2c(c1)ncn2c3c(nc4nccn4n3)C(F)(F)F
|
|
|
305
|
|
|
|
306
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
307
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
308
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
309
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
310
|
c1ccc2c(c1)C[C@@H]3CNCc4c3c(ccc4)S2
|
|
|
311
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
312
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
313
|
c1cc(ccc1S(=O)(=O)N2C[C@@H]3C[C@@H]4C=C[C@@]3(C2)O4)Cl
|
|
|
314
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
315
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
316
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
317
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
318
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
319
|
c1ccc(cc1)N2CCN3[C@@H]2c4ccccc4C3=O
|
|
|
320
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
321
|
C1=C/C/2=C/C(=O)NC=CC=C/C3=C/C(=O)N2C=C1
|
|
|
322
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
323
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
324
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
325
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
326
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
327
|
Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
|
|
|
328
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
329
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
330
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
331
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
332
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
333
|
Cc1c2c(cc(/c(=[NH+]/c3ccccc3)/o2)C(=O)N)c(cn1)CO
|
|
|
334
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
|
335
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
336
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
337
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
338
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
339
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
340
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
341
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
342
|
CC[C@@H]1Nc2ccccc2N1c3ccc(cc3)Cl
|
|
|
343
|
COc1cc(c(n1c2ccccc2)Oc3ccccc3)C#N
|
|
|
344
|
c1ccc(cc1)n2c(=O)c3cnc4c(c3[nH]2)cc(s4)C(=O)[O-]
|
|
|
345
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
346
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
347
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
348
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
349
|
CCOc1ccc2c(c1)cc(c3n2c(=O)n(n3)C)C4OCCO4
|
|
|
350
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
351
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
352
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
353
|
COC(=O)c1cc2c(s1)CN(C2)c3ccccc3Cl
|
|
|
354
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
355
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
356
|
CN1C(=O)[NH]N(C1=O)[C@@H]2CN3C(=O)N(C(=O)N3-C4C2CCCC4)C
|
|
|
357
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
358
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
359
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
360
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
|
361
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
362
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
363
|
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
|
|
|
364
|
Cc1ccc(cc1)[C@@H]2Nc3c(c(no3)C)-c4ccccc4O2
|
|
|
365
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
366
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
367
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
368
|
Cc1c(c2n(n1)[C@@H](C(=O)N2)CC(=O)[O-])c3ccccc3
|
|
|
369
|
Cc1ccc(c(c1)C)c2cc3n(c2)nc(n3N)C
|
|
|
370
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
371
|
c1ccc(cc1)C2=Nc3nnnn3[C@@H](C2)c4ccccc4Cl
|
|
|
372
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
373
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
374
|
c1ccc(cc1)C2=NCc3nncn3-c4c2cc(cc4)Cl
|
|
|
375
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
376
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
377
|
CC[C@@]1(C2CCCN2-C3CCCCC3C(=N1)C4CCCCC4)O
|
|
|
378
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
379
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
380
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
381
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
382
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
383
|
CC1=CC=CN2C1=[NH+]C(=C3C2=NC(=O)C[C@@H]3c4ccc(cc4)F)[O-]
|
|
|
384
|
Cc1c(n(c-2n/c(=[NH+]/c3ccccc3)/ncc2n1)c4ccccc4)C
|
|
|
385
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
386
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
387
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
388
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
389
|
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
|
|
|
390
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
391
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
392
|
C[C@@]12C(c3ccccc3N1Cc4cc(ccc4O2)N)(C)C
|
|
|
393
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
394
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
395
|
CCN1c2cscc2S(=O)(=O)N(C1=O)Cc3ccccn3
|
|
|
396
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
397
|
Cc1cc(=O)oc2c1ccc(c2)/N=c/3ccccn3C
|
|
|
398
|
c1ccc(cc1)[C@@H]2C=C(N3C(=N2)N=NN3)c4ccccc4
|
|
|
399
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
400
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
401
|
CC1=C([C@@](N=C(N1)C(F)(F)F)(C)O)Oc2ccc(cc2)Cl
|
|
|
402
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
403
|
CC(=O)N1C[C@@H](C=C1c2ccccc2)c3ccccc3
|
|
|
404
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
405
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
406
|
c1cc(ccc1N2C3=CCCCC3=C(C2=O)O)Cl
|
|
|
407
|
Cc1c(c(c2n1Cc3ccccc3C2)C(=O)OC)C(=O)OC
|
|
|
408
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
|
409
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
410
|
c1ccc(cc1)c2ccn3c(c2)ncc3c4cnsc4
|
|
|
411
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
412
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
413
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
414
|
|
|
|
415
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
416
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
|
417
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
418
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
|
419
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
420
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
|
421
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
422
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
423
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
424
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
425
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
426
|
CC(C)n1/c(=N/c2ccccc2)/c3ccccc3nn1
|
|
|
427
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
428
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
429
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
430
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
431
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
432
|
CC1=NC(=O)[C@@H](C=C1c2ccc3nccn3c2)C#N
|
|
|
433
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
434
|
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
|
|
|
435
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
436
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
437
|
CCOc1c(o/c(=NC(=O)c2ccccc2)/s1)C(=O)OCC
|
|
|
438
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
439
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
440
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
441
|
C[C@@H]1N([C@@H]2c3cccc4c3c(ccc4)[C@@H]2O1)c5ccccc5
|
|
|
442
|
Cc1cc(c(c(c1)C)Oc2c(c(cc(n2)C)O[C@@H]3CCOC3)C)C
|
|
|
443
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
444
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
445
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
|
446
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
447
|
c1ccc2c(c1)CC[C@@]3(C2)Nc4ccccc4S3
|
|
|
448
|
COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
|
|
|
449
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
450
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
451
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
452
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
453
|
CC(C)n1c2c(cn1)c(nc(n2)c3ccccc3)c4cnn(c4)C
|
|
|
454
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
455
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
456
|
c1ccc(cc1)c2cnc(n2Cc3ccco3)Cl
|
|
|
457
|
c1ccc2c(c1)CCc3c(cc(cc3O2)N)N
|
|
|
458
|
|
|
|
459
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
460
|
CCOC(=O)c1c(cccc1OC)/C=C/c2c(ncs2)Cl
|
|
|
461
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
462
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
463
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
464
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
465
|
CC1=NCCNC2=C1[C@@H](N(C2=O)c3ccccc3)c4ccccc4
|
|
|
466
|
Cc1ccc(c(c1)n2c3c(nn2)[C@@](CS3)(c4ccccc4)O)C
|
|
|
467
|
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
|
|
|
468
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
469
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
470
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
471
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
472
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
473
|
|
|
|
474
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
475
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
476
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
477
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
478
|
Cc1c2c(n(n1)c3ccccc3)S[C@@H]2c4ccco4
|
|
|
479
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
480
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
481
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
482
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
483
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
484
|
CCOc1ccc(c(c1)O)c2c(cn[nH]2)c3ccc(cc3)OC
|
|
|
485
|
Cc1c2c(n3c(n1)c(cn3)C#N)N(CC2)Cc4ccco4
|
|
|
486
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
487
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
488
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
489
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
490
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
491
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
492
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
493
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
494
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
495
|
Cc1c(c2c(o1)[C@@H]3CCCC[C@@H]3OC2=O)c4ccccc4
|
|
|
496
|
CC1=[O+]C(=C[C@@H]2[C@@H]1C=C(C(=C2)OC)OC)N3CCOCC3
|
|
|
497
|
C[C@@H]1[C@@H]2[C@@H](C=C3CCCC[C@H]3[C@@H]2/C=C/c4ccccn4)C(=O)O1
|
|
|
498
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
499
|
c1ccc2c(c1)C(=O)O[C@@]23Oc4cccnc4S3
|
|
|
500
|
C=C1c2ccccc2C=Cc3c1cccc3
|
|
|
501
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
502
|
c1cc(c(cc1n2c(=O)cc3n(c2=O)CCNC3=O)Cl)Cl
|
|
|
503
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
504
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
505
|
|
|
|
506
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
507
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
508
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
509
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
510
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
511
|
c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccccc3O
|
|
|
512
|
C1CCC2C(C1)C(=O)C3C(O2)CC4(CCCCC4)OC3=O
|
|
|
513
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
514
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
515
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
516
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
517
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
518
|
c1cc(ccc1c2ncc(s2)c3ccc(c(n3)[O-])C#N)Cl
|
|
|
519
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
|
520
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
521
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
522
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
523
|
[H]/N=c/n2c3ccccc3[nH]c(=O)c2c(s1)c4ccccc4
|
|
|
524
|
c1ccc(cc1)[C@@H]2CNC3=C2C(=O)Nc4ccccc4N3
|
|
|
525
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
526
|
Cn1c(=O)c(c(cn1)Cl)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
527
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
528
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
529
|
COC(=O)[C@@]12CC3CCCCC3[C@@H]([C@@H]1C4C2CCCC4)O
|
|
|
530
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
531
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
532
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
533
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
534
|
c1ccc(cc1)c2c3c(oc(=O)c2C(=O)[O-])C[C@@H](C=C3)O
|
|
|
535
|
c1cc2c(c(c1)F)N3CCC[C@@H]3[C@@]4(C2)C(=O)COC4=O
|
|
|
536
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
537
|
CN(C)C(=O)NCCN1CCCCCc2c1cccc2
|
|
|
538
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
539
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
540
|
CC(C)[C@H]1C(=N[C@@H](C(=N1)OC)Cc2cc(ccc2F)F)OC
|
|
|
541
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
542
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
543
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
544
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
545
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(s3)Br
|
|
|
546
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
547
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
548
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
549
|
CCOC(=O)c1c2c(c(s1)C)C(=NC3(N2)CCCCC3)O
|
|
|
550
|
CC(=O)n1cc(cc1c2ccccc2)OC(=O)C
|
|
|
551
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
552
|
C1CCC(CC1)C2=CC3CCCN3-C4CCCCC4S2(=O)=O
|
|
|
553
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
554
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
555
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
556
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
|
557
|
CC[C@@H]1C2CC-3N(C(=O)C2COC1=O)CC4C3CCCC4
|
|
|
558
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
559
|
CC(C)C[C@@H](/C(=C/n1cncn1)/c2ccccc2)n3cncn3
|
|
|
560
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
561
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
562
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
563
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
564
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
|
565
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
566
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
567
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
568
|
c1ccc2c(c1)nc(c3n2nnn3)Nc4ccccc4O
|
|
|
569
|