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Virtual screening for IDP 3O8Q - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
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2
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
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3
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
4
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
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5
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
6
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
7
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
8
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
9
|
c1ccc(cc1)c2c3c(csc3nnc2c4ccccc4)O
|
|
|
10
|
CC1=NC(=NC([C@H]1C#N)(C(F)(F)F)C(F)(F)F)c2ccco2
|
|
|
11
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
12
|
CCc1c2c(n(n1)C3CCCC3)-c4nnc(n4CC2)C
|
|
|
13
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
14
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
15
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
16
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
17
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
18
|
C[C@@H]1[C@@H]2[C@@H](C=C3CCCC[C@H]3[C@@H]2/C=C/c4ccccn4)C(=O)O1
|
|
|
19
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
20
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
21
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
22
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
23
|
CC1(Cc2ccccc2-c3c1c(=O)oc(n3)c4ccccc4)C
|
|
|
24
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
25
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
26
|
CCc1cc(c(=O)[nH]c1C)[C@@](C#CC2CC2)(C(F)(F)F)OC
|
|
|
27
|
CC(C)n1c2c(cn1)c(nc(n2)c3ccccc3)c4cnn(c4)C
|
|
|
28
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
29
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
30
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
31
|
c1ccc(cc1)c2c(nc3c(n2)c(nnc3N)N)c4ccccc4
|
|
|
32
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
33
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
|
34
|
c1ccc(cc1)c2nc([o+]c(n2)c3ccccc3)c4ccccc4
|
|
|
35
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
36
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
37
|
Cc1cc(nc(n1)n2c(cc(=O)[nH]c2=O)N)C
|
|
|
38
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
|
39
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
40
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
41
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
42
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
43
|
Cc1cc([nH]c(=O)c1C2=NCCN=C(C2)C(F)(F)F)C
|
|
|
44
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
45
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
46
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
47
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
48
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
49
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
50
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
51
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
|
52
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
53
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
54
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
55
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
56
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
57
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
58
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
59
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
60
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
61
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
62
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
63
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
64
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
65
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
66
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
67
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
68
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
69
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
70
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
71
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
72
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
73
|
Cc1c(c2nc(c3c(n2n1)OCC3)C(=O)[O-])c4ccccc4
|
|
|
74
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
75
|
C[C@@H]1CC2=C([C@@H](Sc3ccccc3N2)c4ccccc4)C(=O)C1
|
|
|
76
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
77
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
78
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
79
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
80
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
81
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
82
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
83
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
84
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
85
|
Cc1c(c(n[nH]1)n2cnc3ccccc3c2=O)c4ccccc4
|
|
|
86
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
87
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
88
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
89
|
Cc1c2c(c3ccccc3s2)c4c(n1)CC(C[C@@H]4O)(C)C
|
|
|
90
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
91
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
92
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
93
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
94
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
95
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
96
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
97
|
Cc1cc(c(s1)C)c2c(oc(=O)o2)c3cc(sc3C)C
|
|
|
98
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
99
|
COC(=O)n1c(=O)c2ccccc2c(n1)OC(=O)OC
|
|
|
100
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
101
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
102
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
103
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
104
|
c1ccc2c(c1)ncn2c3c(nc4nccn4n3)C(F)(F)F
|
|
|
105
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
106
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
107
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
108
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
109
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
110
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
|
111
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
112
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
113
|
c1ccc(cc1)C(=O)c2c3n(nn2)CC(=O)OC34CCCCC4
|
|
|
114
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
115
|
Cc1c2c(c3ccccc3o2)c4c(n1)CC(CC(=O)N4)(C)C
|
|
|
116
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
|
117
|
C1CC2C3=C4[C@@H](C=C3C1)NC(=O)[C@]45CCCC[C@@H]5C2
|
|
|
118
|
CC1C(NC2C(N1)C(NNC2C3CCCCC3)C4CCCCC4)C
|
|
|
119
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
120
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
121
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
122
|
Cc1cc(c(s1)C)c2c(c(oc2c3cc(sc3C)C)N)C#N
|
|
|
123
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
124
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
125
|
CN1CC2CCCCC2C1C3NC(NC(N3)F)N
|
|
|
126
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
127
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
128
|
CCN(CC)c1nc(nc(n1)N(CC)CC)c2[n-]nnn2
|
|
|
129
|
Cc1cc(n(n1)c2c3c(c(n(c3ncn2)CC(C)C)C)C)C
|
|
|
130
|
c1ccc(cc1)n2c(nnn2)n3c4ccccc4nn3
|
|
|
131
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
132
|
|
|
|
133
|
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
|
|
|
134
|
COC(=O)c1c2c(nnc(n2nc1C(=O)OC)[O-])c3ccccc3
|
|
|
135
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
136
|
Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O
|
|
|
137
|
Cn1c(c(nnc1=O)c2ccsc2)c3ccsc3
|
|
|
138
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
139
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
140
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
141
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
142
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
|
143
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
144
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
145
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
146
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
147
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
148
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
149
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
150
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
151
|
c1ccc(cc1)c2c3ccccc3nnn2
|
|
|
152
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
|
153
|
Cc1c(sc(n1)C)c2cc(n3c(n2)c(cn3)c4ccccc4)[O-]
|
|
|
154
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
155
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
156
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
|
157
|
CC1([C@@H]2CC[C@]1(c3c2nc(c(n3)C#N)C#N)C(=O)[O-])C
|
|
|
158
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
159
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
160
|
CC1C2C(NC(NN2)N3CCOCC3)N(N1)C4CCCCC4
|
|
|
161
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
162
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
163
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
164
|
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
|
|
|
165
|
Cc1ncc(c(n1)c2ccccc2O)c3cccnc3
|
|
|
166
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
167
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
168
|
Cc1c(sc(n1)c2c(cnc(n2)NCC=C)c3ccsc3)C
|
|
|
169
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
170
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
171
|
c1ccc(cc1)c2ncnn2c3c(c4c(s3)CCCC4)C#N
|
|
|
172
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
173
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
174
|
Cc1c2c(c(no2)c3ccccc3)nc(n1)C
|
|
|
175
|
|
|
|
176
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
177
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
178
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
|
179
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
180
|
c1cc(cc(c1)OCc2cscn2)N
|
|
|
181
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
182
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
183
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
184
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
185
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
186
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
187
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
188
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
|
189
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
190
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
|
191
|
C[C@@H]1C=C([C@H]2C(=N[NH+]=C2N1)c3ccccc3)C
|
|
|
192
|
Cc1nc(cs1)c2nnc(n2c3cccc(c3)F)SC
|
|
|
193
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
194
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
|
195
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
196
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
197
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
198
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
|
199
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
200
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
201
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
202
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
203
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
204
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
205
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
|
206
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
207
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
208
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
209
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
210
|
Cn1cc(ccc1=O)c2c(cccn2)Cl
|
|
|
211
|
Cc1c2cc(cnc2n(n1)C)[N-]S(=O)(=O)c3cccs3
|
|
|
212
|
CCCCC1=N[C@@H]2[C@@H](c3c(c(ncn3)OC)S2)C4=C1CCC4
|
|
|
213
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
|
214
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
215
|
CSc1c2c([o+]c(n1)c3ccccc3)CCCC2
|
|
|
216
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
217
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
218
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
|
219
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
220
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
221
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
222
|
CC1CCC2C(C1)NC(C(=O)O2)C3CCCCC3
|
|
|
223
|
CSc1nc(nc(=[N+]2CCOCC2)s1)c3ccccc3
|
|
|
224
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
|
225
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
226
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
227
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
228
|
Cc1c(c(no1)c2ccccc2)c3nc4ccccc4c(=O)o3
|
|
|
229
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
230
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
231
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
232
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
|
233
|
c1ccc2c(c1)nc3n2CN=C4N3CN(CN4)CCO
|
|
|
234
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
235
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
236
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
237
|
|
|
|
238
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
239
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
|
240
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
241
|
C[C@@]12CCC(=O)N1CCN2C(=O)c3ccc(o3)COC
|
|
|
242
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
243
|
CC1=C(C(=O)N(CO1)C(C)(C)C(=O)[O-])c2ccccc2F
|
|
|
244
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
245
|
c1ccc(cc1)[C@@H]2Nc3c(cnn3c4ccccc4)C(=O)N2
|
|
|
246
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
|
247
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
248
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
249
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
250
|
Cc1c(sc2c1-c3c(cnc(n3)SC)S(=O)(=O)N2C)C
|
|
|
251
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
252
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
253
|
C[C@@H]1Cc2c(cc(n2C)c3nnc(n3c4ccccc4)SC)O1
|
|
|
254
|
c1ccc2c(c1)c(c3c(n2)C[C@@H]4CCCN3C4)C(=O)[O-]
|
|
|
255
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
256
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
257
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
258
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
259
|
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4S2(=O)=O
|
|
|
260
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
261
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
262
|
[H]/N=c/n2c3ccccc3[nH]c(=O)c2c(s1)c4ccccc4
|
|
|
263
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
264
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
265
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
266
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
267
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
268
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
269
|
Cc1ccc(cc1C)c2c(cccn2)OC3(CCCC3)C(=O)[O-]
|
|
|
270
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
271
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
272
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
273
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
274
|
Cc1nc(no1)c2c(nns2)c3ccccc3
|
|
|
275
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
276
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
277
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
278
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
279
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
280
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
281
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
282
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
|
283
|
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
|
|
|
284
|
CN1CN(C(=O)C2C1NC(N2OC)C3CCCCC3)C
|
|
|
285
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
286
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
287
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
288
|
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
|
|
|
289
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
290
|
c1ccc(cc1)c2c(c(sc2SCC#N)C#N)N
|
|
|
291
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
292
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
293
|
CNC(=O)N(C)C1=N[C@@](C(=N1)C2CCCCC2)(C3CCCCC3)O
|
|
|
294
|
CC1=CC=CN2C1=[NH+]C(=C3C2=NC(=O)C[C@@H]3c4ccc(cc4)F)[O-]
|
|
|
295
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
296
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
297
|
|
|
|
298
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
299
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
300
|
CCc1c2c(n(n1)C3CCCC3)C(=O)N(CC2)c4ccccc4
|
|
|
301
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
302
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
303
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
|
304
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
305
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
306
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
307
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
308
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
|
309
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
310
|
Cc1csc(n1)c2cn(c(=O)[nH]c2=O)C
|
|
|
311
|
|
|
|
312
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
313
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
314
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
315
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
316
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
317
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
318
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
|
319
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
320
|
C1C2CC3CC1CC(C2)(C3)n4nc(c(n4)C(=O)[O-])C(=O)[O-]
|
|
|
321
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
|
322
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
323
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
324
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
325
|
c1ccc(cc1)n2c(nnn2)n3ccnc3
|
|
|
326
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
327
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
|
328
|
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
|
|
|
329
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
330
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
331
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
332
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
333
|
c1ccc(c(c1)Nc2c(c(c(c3n2nnn3)C#N)Cl)Cl)F
|
|
|
334
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
|
335
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
336
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
337
|
c1ccc2c(c1)c3cc(nn3c(n2)[O-])c4ccccn4
|
|
|
338
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
339
|
CC1(C(=NC(=N)N=C1C(=O)OC)C(=O)OC)C(=O)c2ccccc2
|
|
|
340
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
341
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
342
|
CCOC(=O)c1nn(c2n1c(=O)cc(n2)N)c3ccccc3
|
|
|
343
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)no2
|
|
|
344
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
345
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
346
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
347
|
CCOC(=O)[C@@]1(C(=O)Nc2ccccc2S1)c3cccn3C
|
|
|
348
|
CC1(Cc2c(c3nncn3c(n2)c4ccccc4)CO1)C
|
|
|
349
|
CC1CC(N(N1)C2=NS(=O)(=O)C3CCCCC3N2C)C
|
|
|
350
|
CC(C)(C)[C@@H](/C(=C/c1ccc(cc1)Cl)/n2cncn2)O
|
|
|
351
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
352
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
353
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
354
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
355
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
356
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
357
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
358
|
Cc1cc(ncc1[C@@H](CC(=O)N)n2cccc2)C
|
|
|
359
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
360
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
361
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
362
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
363
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
364
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
365
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
|
366
|
c1ccn(c1)c2c(c(c(o2)c3cccs3)C#N)c4cccs4
|
|
|
367
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
|
368
|
C1CCC(CC1)[C@@H]2C3CCSC3-N4CCCC4C(=O)O2
|
|
|
369
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
|
370
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
371
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
372
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
|
373
|
c1ccc2c(c1)nc(s2)n3cnc(n3)C#N
|
|
|
374
|
CC1(CC(=O)C2(C(=O)C1)OC(=NS2)c3ccc(cc3)Cl)C
|
|
|
375
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
|
376
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
377
|
Cn1c2ccccc2nc1Nc3c(=O)[nH]c(=O)[nH]n3
|
|
|
378
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
379
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
380
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
381
|
CC1(C(=C(C(=O)O1)C(=O)N)/C=C/2C3CCCCC3C(=O)O2)C
|
|
|
382
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
|
383
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
|
384
|
Cc1nc2c(c(n1)N3CCCC3)CN(CC2)C(=O)C
|
|
|
385
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
386
|
C[C@@]1(CC[C@@](C(=C)n2c3c1cccc3nn2)(C)O)O
|
|
|
387
|
c1cc(ccc1c2c3c(c(ncn3)N4CCCC4)sn2)F
|
|
|
388
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
|
389
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
390
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
|
391
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
392
|
CC[C@@H](C)c1c(n(oc1=O)S(=O)(=O)c2ccc(cc2)C)N
|
|
|
393
|
Cc1ccc(c(c1)n2c3c(nn2)[C@@](CS3)(c4ccccc4)O)C
|
|
|
394
|
CC(C)(C)c1cc(no1)n2c(=O)c3ccccc3[nH]c2=O
|
|
|
395
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
396
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
397
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
398
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
399
|
c1cnoc1/C=C/c2c(cncc2Cl)Cl
|
|
|
400
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
401
|
CC1CC(NN2C1C(NC2SC)C3CCCCC3)C
|
|
|
402
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
403
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
404
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
405
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
406
|
c1cc(oc1)c2nc(nc(=[N+]3CCOCC3)o2)N4CCOCC4
|
|
|
407
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
408
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
409
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
410
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
411
|
|
|
|
412
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
413
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
414
|
Cc1nc2n(n1)[C@@H](c3cc(ccc3S2)N)O
|
|
|
415
|
C1CCC(CC1)/C=C/2CC-3OC(=O)C4C3C(C2=O)CCC4
|
|
|
416
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
417
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
418
|
|
|
|
419
|
Cc1ccc(n1c2c(c(c(o2)c3ccco3)c4ccco4)C#N)C
|
|
|
420
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
421
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
|
422
|
c1cc2c(cc1c3c4ccoc4ccn3)OCCO2
|
|
|
423
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
424
|
Cc1c(c(on1)C)Nc2c(c(ncn2)SC)C#N
|
|
|
425
|
c1ccc2c(c1)c(=O)cc(o2)n3ccc(n3)C(F)(F)F
|
|
|
426
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
427
|
C1CCC(CC1)C2NCC3N2NCN3C4CCCCC4
|
|
|
428
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
429
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
430
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
|
431
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
432
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)n2ccnc2)C#N
|
|
|
433
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
434
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
435
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
436
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
437
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
438
|
C1Cc2c3c(nnc4c3c(nn2)CCC4)C1
|
|
|
439
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
440
|
CCN(CC)C(=O)/C=C(/CCCC#N)Sc1ccccc1
|
|
|
441
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
442
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
|
443
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
|
444
|
Cc1c/c(=NC(C)(C)C)/nc2n1cc(c3c2cccc3)Cl
|
|
|
445
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
446
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
447
|
COCCN1[C@@H]([C@@H](C1=O)Sc2ccccc2)c3cccs3
|
|
|
448
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
449
|
CN(C)S(=O)(=O)n1cnc(c1c2ccccc2)c3ccccc3
|
|
|
450
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
451
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
452
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
453
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
454
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
455
|
Cc1c2c(nc(oc2=O)c3ccccc3Cl)on1
|
|
|
456
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
457
|
CCn1cc2c(n1)c(=O)n(nn2)C3CCCCC3
|
|
|
458
|
Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
|
|
|
459
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
460
|
c1ccc(cc1)c2nnnn2C3(CCCCC3)n4cccn4
|
|
|
461
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
462
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
463
|
Cc1c(nc(c(c1C#N)C#N)OC)/C=C/c2ccco2
|
|
|
464
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
465
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
466
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
467
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
468
|
CC(C)c1nc(on1)[C@@H]2Cc3c([nH]c[nH+]3)CN2C(=O)C
|
|
|
469
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
470
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
471
|
CC1C2C(NNC1NC(=O)C)C[C@@H](C2)C(=C)C
|
|
|
472
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
|
473
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
474
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
475
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
476
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
477
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
|
478
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
|
479
|
c1ccc2c(c1)c(c3ccccc3n2)Nn4cnnc4
|
|
|
480
|
c1ccc2c(c1)nc(c3n2ccc3)n4cccc4
|
|
|
481
|
COC1CC2CCNC-3C2C(C1OC)-C4C3C(OC4)SC
|
|
|
482
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
483
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
484
|
CN(C)C1NC(=O)C(C(O1)C2CCCCC2)C3CCCCC3
|
|
|
485
|
COC(=O)[C@@]1(N=C2C=CC=CN2C(=N1)c3ccco3)C(F)(F)F
|
|
|
486
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
|
487
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
488
|
CC(=O)N1[C@H]2C[C@@H]([C@H]1c3ccccc3)[C@@H]2OC(=O)C
|
|
|
489
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
490
|
C1C[C@@H]2C[C@H]1[C@@H]3C2=Cc4c([nH]c(=O)s4)S3
|
|
|
491
|
|
|
|
492
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
493
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
494
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
|
495
|
CC(C)(C)C1NNNN1CN2CCN(CC2)S(=O)(=O)C
|
|
|
496
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
|
497
|
Cc1c2c(nc(oc2=O)c3ccccc3Cl)sn1
|
|
|
498
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
499
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
|
500
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
501
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
502
|
CCOC(=O)CCC1NC(C(C2N1NNN2)C)C(=O)OCC
|
|
|
503
|
Cc1csc(n1)N2CCc3c2cccc3
|
|
|
504
|
c1ccc(cc1)[C@@H]2c3cc4c(cnc5n4ncn5)c(=O)n3C(=O)N2
|
|
|
505
|
Cc1cc(nc(n1)N2C=C[C@H]3[C@@H]4C[C@H]([C@@H]2C3=O)C=C4)C
|
|
|
506
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
507
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
508
|
Cc1cc(c(nn1)[O-])c2nc3ccccc3n2C
|
|
|
509
|
CC(=O)N[C@@H]1CCC2CCCCC2-C3C1CC(=O)CCC3
|
|
|
510
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
511
|
Cc1c(scn1)c2[n-]c3cc(cnc3n2)Br
|
|
|
512
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
513
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
514
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
|
515
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
516
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
517
|
COc1nc(nc(n1)OC)C(=O)c2ccccc2
|
|
|
518
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
519
|
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
|
|
|
520
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
521
|
Cc1cc(=O)sc2c1c(nn2c3ccccc3)C
|
|
|
522
|
Cc1ccc(s1)[C@@H]2[C@@H]3CCCC=C3[C@@H]([C@@H](C2(C#N)C#N)N)C#N
|
|
|
523
|
CC(=O)Nc1ccc(c2c1n(cn2)C(=O)C)OC(=O)C
|
|
|
524
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
|
525
|
c1cc(sc1)c2nn(c(=O)n2c3ccncc3)CCC#N
|
|
|
526
|
c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
|
|
|
527
|
C1CCC2(CC1)N3C(=NC(=O)O2)OC4(CCCCC4)OC3=O
|
|
|
528
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
529
|
CC(=O)N1c2cc3c(cc2N(c4c1non4)C(=O)C)nccn3
|
|
|
530
|
C[C@@H]1C(=O)N=C(N1c2nc(nc(n2)OC)NC(C)C)N
|
|
|
531
|
CC1=C(c2ccccc2C1)Sc3ccccc3
|
|
|
532
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
533
|
c1ccc-2c(c1)CNC(=O)c3c2cccc3
|
|
|
534
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
535
|
Cc1ccc(cc1)c2nc(sn2)C(=O)C(C)(C)C
|
|
|
536
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
537
|
CC(C)(C)OC(=O)N1CCCC(=O)c2c1nn(c2)C
|
|
|
538
|
C[C@@H]1c2ccccc2OC(=C1CN3CCOCC3)c4ccccc4
|
|
|
539
|
Cc1ccc2c3c1noc3-c4ccccc4C2=O
|
|
|
540
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
541
|
c1cc(cc(c1)N)c2cocn2
|
|
|
542
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
|
543
|
CNC1C(=O)NC(SN1)N2CNC3C2CCCC3
|
|
|
544
|
CC1NC(NO1)C2CN3C(C2C(C)C)C(=O)NC[NH]3
|
|
|
545
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
546
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
|
547
|
CCOC(=O)[C@@H]1C2C(NC3CCCCC3N2)N4[C@@H]1CCC4
|
|
|
548
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
549
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
550
|
CC(C)c1nc2n(n1)C3(CCCCC3)[C@@H]4CCCC[C@@H]4N2
|
|
|
551
|
c1ccc(cc1)[C@@H]2Cn3c(nnn3)-c4ccccc4O2
|
|
|
552
|
c1c[nH]nc1Nc2c(nc(c(n2)Cl)Cl)Cl
|
|
|
553
|
C1CCC2C(C1)C=CC23C(=O)C4CCCCC4C3=O
|
|
|
554
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
|
555
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
|
556
|
Cc1c2c(n(n1)c3ccccc3)N[C@@H](C=C2C)C
|
|
|
557
|
COC1(c2c(non2)C(c3c1non3)(OC)OC)OC
|
|
|
558
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
559
|
C[C@@H]1C[C@@]2(C(=O)Nc3ccccc3N=C2O1)CC=C
|
|
|
560
|
Cc1nc(c(o1)C(F)(F)F)c2nc(on2)c3ccccc3
|
|
|
561
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
562
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
|
563
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
|
564
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
565
|
|
|
|
566
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|