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Virtual screening for IDP 3ED6 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
2
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
3
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
4
|
|
|
|
5
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
6
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
7
|
CCOC(=O)c1c2c3ccccc3[nH]c2n4c1scc4C
|
|
|
8
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
9
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
10
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
11
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
12
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
13
|
Cn1c(=O)c(c(cn1)[C@@H](C#N)c2[nH]c3ccccc3n2)Cl
|
|
|
14
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
15
|
CC1=Nc2ccccc2Oc3c1ncc(c3)C(F)(F)F
|
|
|
16
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
17
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
18
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
19
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
20
|
c1cc(oc1)/C=c/2c(=O)[nH]/c(=Cc3ccco3)/c(=O)[nH]2
|
|
|
21
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
22
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
23
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
24
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
25
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
26
|
c1ccc2c(c1)c3c([nH]2)-c4ccccc4OCC3
|
|
|
27
|
C/C=C/1C(=O)[NH]/C(=C/C2CCCCC2)/C(=O)[NH]1
|
|
|
28
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
29
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
30
|
C1C2C(CC3C1OCO3)N/C(=C/4C=CC=[NH+]4)/C=C2O
|
|
|
31
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
32
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
33
|
c1ccc2c(c1)c3c([nH]2)[C@@]45CCCC=C4N(C(=O)N5CC3)CCO
|
|
|
34
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
35
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
36
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
37
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
38
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
39
|
COC1=CC=C2[C@@H](N1)Sc3c(=O)[nH]c(nc3N2)N
|
|
|
40
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
41
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
|
42
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
43
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
44
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
45
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
46
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
47
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
48
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
49
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
50
|
|
|
|
51
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
52
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
53
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
54
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
55
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
56
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
57
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
58
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
59
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
60
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
61
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
|
62
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
63
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
64
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
65
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
66
|
|
|
|
67
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
68
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
69
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
70
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
71
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
72
|
c1ccc(cc1)C2=C(C=NC(=C3C=CC(=O)C=C3)N2)c4cnccn4
|
|
|
73
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
74
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
75
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
76
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
77
|
CCOC(=O)/C=C/1C2NNNN2-C3CCCCC3N1
|
|
|
78
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
79
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
80
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
81
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
82
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
83
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
84
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
85
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
86
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
87
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
88
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
89
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
90
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
91
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
|
92
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
|
93
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
94
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
|
95
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
96
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
97
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
98
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
99
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)[NH+]=C4N2NN=N4
|
|
|
100
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
101
|
c1cc(ccc1N)S(=O)(=O)Nc2nc3c(c(n2)[O-])CCCC3
|
|
|
102
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
103
|
[H]/N=c/n(cc(s1)c2ccccc2)c3ccccc3C
|
|
|
104
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
105
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
|
106
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
107
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
108
|
[H]/N=C/1N[C@H](N/C(=N/c2ccc(cc2)Cl)/N1)c3ccc(cc3)OC
|
|
|
109
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
110
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
111
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
112
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
113
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
114
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
115
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
116
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
117
|
c1ccc(cc1)C2=C[C@@H](N3C(=[NH+]2)N=NN3)c4ccco4
|
|
|
118
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
|
119
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
120
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
121
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
|
122
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
123
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
124
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
125
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
126
|
|
|
|
127
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
128
|
c1ccc2c(c1)-c3nc(nn3[C@@H](N2)c4ccc(cc4)Cl)C5CC5
|
|
|
129
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
130
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
131
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
132
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
133
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
|
134
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
135
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
136
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
137
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
138
|
CCc1c(nn2c1N/C(=C/3C=C([NH+]=N3)C4CC4)/C=C2O)C
|
|
|
139
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
140
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
141
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
142
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
143
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
144
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
145
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
146
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
147
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
148
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
149
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
150
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
151
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
152
|
Cc1cc(no1)Nc2c3ccccc3nc4c2cccc4
|
|
|
153
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
|
154
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
|
155
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
156
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
157
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
158
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
159
|
|
|
|
160
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
161
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
162
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
163
|
c1ccc2c(c1)C(=O)Nc3ccccc3N2
|
|
|
164
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
165
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
166
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
167
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
168
|
|
|
|
169
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
170
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
171
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
172
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
173
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
174
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
175
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
176
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
177
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
178
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
179
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
180
|
Cc1ccc2c(c1)n3c([nH+]2)NCCC3
|
|
|
181
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
182
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
183
|
|
|
|
184
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
185
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
186
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
187
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
188
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
189
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
190
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
191
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
192
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
193
|
CC(C)(C)OC(=O)Nc1cc2c(nc1)n(cn2)C
|
|
|
194
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
195
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
196
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
197
|
Cc1cc2c(c(=O)o1)[C@@H](Sc3ccccc3N2)c4ccco4
|
|
|
198
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
199
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
200
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
201
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
202
|
c1ccc2c(c1)c3c([nH]2)cccc3O
|
|
|
203
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
|
204
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
|
205
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
206
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
207
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
208
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
209
|
C[C@@H]1Nc2ccccc2-c3n1c4ccccc4n3
|
|
|
210
|
|
|
|
211
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
212
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
213
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
214
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
215
|
COc1c2ccoc2c(c(c1c3cc(n[nH]3)C(F)(F)F)O)OC
|
|
|
216
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
217
|
Cc1c(=O)nc-2n(n1)[C@@H](Nc3c2cccc3)C(=O)[O-]
|
|
|
218
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
219
|
CCc1nc2ccccc2c(=O)n1N
|
|
|
220
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
|
221
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
222
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
223
|
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
|
|
|
224
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
225
|
|
|
|
226
|
CC1(Cc2c(cc3c(n2)Nc4ccccc4N=C3O)CO1)C
|
|
|
227
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
228
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
229
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
230
|
CC1=C[C@@H]2Cc3c(c(c4c(n3)oc(n4)C5CC5)N)[C@@H](C2)C1
|
|
|
231
|
c1nnc(s1)NC(=O)[C@H]2C(=C3CCCCC3=NC2=O)[O-]
|
|
|
232
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
233
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
234
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
235
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
236
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
237
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
238
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
239
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
|
240
|
Cc1ccc(c(c1)C)C2=CSc3ccccc3N2
|
|
|
241
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
242
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
243
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
244
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
245
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
246
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
247
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
248
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
249
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
250
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
251
|
COc1ccc(cc1)/N=c/c3ccccc3[nH]c(=O)cn2
|
|
|
252
|
c1ccc2c(c1)c3c([nH]2)CCOC3
|
|
|
253
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
254
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
|
255
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
|
256
|
COCC/N=c/c(=C2C=CC(=O)C=C2)[nH]c3=CNC=Cn31
|
|
|
257
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
258
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
259
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
260
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
261
|
|
|
|
262
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
|
263
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
264
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
265
|
c1ccc2c(c1)-c3nc4ccccc4n3CC(=O)N2
|
|
|
266
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
267
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
268
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
269
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
|
270
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
271
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
272
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
273
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
274
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
275
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
276
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
277
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
278
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
279
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
280
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
281
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
282
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
283
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
|
284
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
285
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
286
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
287
|
Cc1c(=O)n2c(nn1)SC[C@@H]2CSc3ccccc3
|
|
|
288
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
289
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
290
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
291
|
Cc1nnc(s1)SC2=C(Nc3ccccc3NC2=O)C
|
|
|
292
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
|
293
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
294
|
c1ccc2c(c1)C(=O)O/C(=C/C=CC=CC3=[NH2+])/N2
|
|
|
295
|
C[C@@H]1CC2=C(CNc3ccccc3N2)C(=O)O1
|
|
|
296
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
297
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
298
|
c1ccc2c(c1)nc3n2CN=C4N3CN(CN4)CCO
|
|
|
299
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
300
|
CC1=[NH+]c2ccc(cc2-c3c(c4ccccc4[nH]3)N1)Cl
|
|
|
301
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
302
|
Cc1coc(=O)c2c1Sc3ccccc3N[C@@H]2c4ccccc4
|
|
|
303
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
|
304
|
CCOC1=C[C@@H](Oc2c1cccc2)c3ccc(cc3)F
|
|
|
305
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
306
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
307
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
308
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
309
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
310
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
311
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
312
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
313
|
|
|
|
314
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
315
|
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])c2ccco2
|
|
|
316
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
317
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
318
|
CCOC(=O)c1cnc2c(c3c(cn2c1=O)CCO3)C#N
|
|
|
319
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
320
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
|
321
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
322
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
323
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
324
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
325
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
326
|
c1ccc2c(c1)Nc3cc(nnc3S2)Cl
|
|
|
327
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
328
|
CO[C@@]1(CC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
329
|
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
|
|
|
330
|
C#Cc1ccc2c(c1)nccn2
|
|
|
331
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
|
332
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
333
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
334
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
335
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
336
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
337
|
CCN1c2ccccc2N[C@@H]3[C@@H]1OC(=C3C(=O)OCC)C
|
|
|
338
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
339
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
340
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
341
|
c1ccc2c(c1)c3c([nH]2)C=NCC3
|
|
|
342
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
343
|
|
|
|
344
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
345
|
c1ccc2c(c1)CC[C@@]3(C2)Nc4ccccc4S3
|
|
|
346
|
Cc1c([nH]n(c1=O)C2=NCCN2)c3ccccc3
|
|
|
347
|
c1ccc2c(c1)c3c([nH]2)SCCS3
|
|
|
348
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
349
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
350
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
351
|
CCc1c(nc(c(n1)NC(CC)CC)CC)Nc2ccccn2
|
|
|
352
|
|
|
|
353
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
354
|
C1Cc2c(sc3c2c(c(c(=O)[nH]3)C#N)N)C1
|
|
|
355
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
356
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
357
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
358
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
359
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
360
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
361
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
362
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
363
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
364
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
|
365
|
c1ccc2c(c1)ccc3c2c4c([nH]3)C5=C(COC=C5)OC4
|
|
|
366
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
367
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
368
|
C1CCC2C(C1)C3C([NH]2)C(=O)C(CS3)C#N
|
|
|
369
|
c1ccc2c(c1)CC[NH+]=C(N2)N3CCOCC3
|
|
|
370
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
371
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
|
372
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
373
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
374
|
C1CC2C(CC1BR)C3CCNC(C3[NH]2)C4=NCCC4
|
|
|
375
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
376
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
377
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
|
378
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
379
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
380
|
CCOC(=O)c1ccc(cc1)n2c(=O)oc(n2)C
|
|
|
381
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
382
|
c1ccc2c(c1)-c3c(c(=O)n([nH]3)c4ccccn4)CS2
|
|
|
383
|
c1ccc(cc1)c2c(=O)c3cscc3[nH]c2[O-]
|
|
|
384
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
385
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
386
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
387
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
388
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
389
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
390
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
391
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
392
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
393
|
COc1ccc(cc1)c2c(c(sn2)C(=O)OC)N
|
|
|
394
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
395
|
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
|
|
|
396
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
397
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
398
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
399
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
400
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
|
401
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
|
402
|
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O
|
|
|
403
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
404
|
c1ccc2c(c1)C(c3ccccc3O2)c4nnc(o4)[O-]
|
|
|
405
|
CS(=O)(=O)C1=C([N-]C(=C2C=CC(=O)C=C2)N=C1)c3ccccc3
|
|
|
406
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
407
|
Cc1c(cc2c(c(sc2n1)c3nnc(o3)C)N)C(=O)C
|
|
|
408
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
409
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
410
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
411
|
c1cc(ccc1C(=O)N2CC=C(N=CC2)C(F)(F)F)Cl
|
|
|
412
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
413
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
|
414
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
415
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
416
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
417
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
418
|
CCO[C@@H]1C2CC3C(CC2NC(=O)N1C)OCO3
|
|
|
419
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
420
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
421
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
422
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
423
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
424
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
425
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
426
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
427
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
428
|
c1cc(nc(c1)F)n2c(c(cn2)n3cncn3)O
|
|
|
429
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
430
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
431
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
432
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]c3=O
|
|
|
433
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
434
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
435
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
436
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
437
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
438
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
|
439
|
c1ccc(cc1)n2c(=O)c3cnc4c(c3[nH]2)cc(s4)C(=O)[O-]
|
|
|
440
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
441
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
442
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
443
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
444
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
445
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
|
446
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
447
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
448
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
449
|
c1cc2c(nc1)Nc3c(cccn3)O2
|
|
|
450
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
451
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
452
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
453
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
454
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
|
455
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
456
|
Cc1nc(no1)c2cccc(c2)S(=O)(=O)NCC(=O)[O-]
|
|
|
457
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
458
|
Cn1c2ccccc2c3c1c(=O)cc(o3)CO
|
|
|
459
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
460
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
461
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
462
|
c1ccc(cc1)S(=O)(=O)[N-]c2ncccn2
|
|
|
463
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
464
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
465
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
466
|
c1ccc2c(c1)Cc3cnc4ccccc4c3N2
|
|
|
467
|
c1cc(ccc1[C@@H]2c3cc4c(cc3NC5=C2C(=O)OC5)OCO4)F
|
|
|
468
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
|
469
|
c1ccc2c(c1)Nc3c(sc(=O)[nH]3)C=N2
|
|
|
470
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
471
|
|
|
|
472
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
473
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
474
|
CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2
|
|
|
475
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
476
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
477
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
478
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
479
|
CC1=C(Nc2ccccc2NC1=O)C
|
|
|
480
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
481
|
Cc1c(c(c2n1Cc3ccccc3C2)C(=O)OC)C(=O)OC
|
|
|
482
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
483
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
484
|
c1ccc2c(c1)Nc3cc(cnc3S2)C(=O)[O-]
|
|
|
485
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
486
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
487
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
488
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
489
|
Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
|
|
|
490
|
c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
|
|
|
491
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
492
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
493
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
494
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
495
|
c1ccnc(c1)SCCn2cccn2
|
|
|
496
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
|
497
|
Cc1cn(cn1)c2cccnc2
|
|
|
498
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
|
499
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
500
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
501
|
CC1CCC2C(C1)NC(C(=O)O2)C3CCCCC3
|
|
|
502
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
|
503
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
|
504
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
505
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
506
|
c1cc(oc1)[C@@H]2Nn3c(nnc3S2)c4ccc(cc4)O
|
|
|
507
|
CC(C)N1Cn2c3ccccc3nc2N(C1)n4cnnc4
|
|
|
508
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
509
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
510
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
511
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
512
|
Cc1c(c([nH]n1)n2cccc2)C(=O)[O-]
|
|
|
513
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
514
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
515
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
516
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
517
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
518
|
|
|
|
519
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
520
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
521
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
522
|
|
|
|
523
|
CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
|
|
|
524
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
525
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
526
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
527
|
Cc1nc(no1)c2cc(sc2)S(=O)(=O)NC3CC3
|
|
|
528
|
c1ccc(cc1)c2c3c(nc(s3)C#N)n(n2)c4ccccc4
|
|
|
529
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
530
|
c1ccc2c(c1)Nc3c(nns3)C(=O)N2
|
|
|
531
|
c1ccc2c(c1)C=Cc3ccccc3N2
|
|
|
532
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
533
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
|
534
|
C1CCC2C(C1)C(=C3CC4=CC(=O)C=CC4=C3N2)CL
|
|
|
535
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
536
|
c1cc(ccc1S(=O)(=O)N2C[C@@H]3C[C@@H]4C=C[C@@]3(C2)O4)Cl
|
|
|
537
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
538
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
|
539
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
540
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
541
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
|
542
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
543
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
544
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
545
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
546
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
547
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
548
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
549
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
550
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
551
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
552
|
c1ccc(cc1)c2nc([o+]c(n2)c3ccccc3)c4ccccc4
|
|
|
553
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
554
|
c1cc2=CC=CNc2c3c1=CC=CN3
|
|
|
555
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
556
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
557
|
CC1(C/C(=C/2C=Nc3c2cccc3)/C=C4[C@@]1(c5ccccc5N4)O)C
|
|
|
558
|
C1CCC2C(C1)C3C([NH]2)C(=O)CCS3
|
|
|
559
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
560
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
561
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
562
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
563
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
564
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
565
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccccn2
|
|
|
566
|
c1cc(ccc1C2=C/C(=C/3C=C(C=CC3=O)Cl)/ON2)F
|
|
|
567
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
568
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|