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Virtual screening for IDP 3PGJ - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
2
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
3
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
4
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
5
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
6
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
7
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
8
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
9
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
10
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
11
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
12
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
13
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
14
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
|
15
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
16
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
17
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
18
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
19
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
20
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
21
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
22
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
23
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
24
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
25
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
26
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
27
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
28
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
29
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
30
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
31
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
32
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
33
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
34
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
35
|
CSc1nc(c(nn1)c2ccco2)c3ccco3
|
|
|
36
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
37
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
38
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
|
39
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
40
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
41
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
42
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
43
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
44
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
45
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
46
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
47
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
48
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
49
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
50
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
51
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
52
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
53
|
C[C@@H](Cc1ccccc1)N(CC#C)C(=O)OC2=CCN(CC2)C
|
|
|
54
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
55
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
56
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
|
57
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
58
|
Cn1c2c(cn1)c(cc(n2)c3ccco3)C(F)F
|
|
|
59
|
|
|
|
60
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
61
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
62
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
63
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
64
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
65
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
66
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
67
|
CC1=[NH+]c2ccc(cc2-c3c(c4ccccc4[nH]3)N1)Cl
|
|
|
68
|
Cc1cc-2nc3ccc(cc3oc2cc1=[N+](C)C)N
|
|
|
69
|
|
|
|
70
|
|
|
|
71
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
72
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
73
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
74
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
75
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
76
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
77
|
Cc1c(sc(n1)c2c(cnc(n2)NCC=C)c3ccsc3)C
|
|
|
78
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
79
|
Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3cc[nH]n3
|
|
|
80
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
81
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
82
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
83
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
84
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
85
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
86
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
87
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
88
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
89
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
90
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
91
|
Cc1c(c(n[nH]1)n2cnc3ccccc3c2=O)c4ccccc4
|
|
|
92
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
93
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
94
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
95
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
96
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
97
|
CC1NNC2N1-C3CCCCC3-C4C(C5CCCCC5[NH]4)C2
|
|
|
98
|
c1ccc(c(c1)NC(=O)[C@@H]2CC(=O)N=C3[C@@H]2C(=O)CCC3)F
|
|
|
99
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
100
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
101
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
102
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
103
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
104
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
105
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
106
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
107
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
108
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
|
109
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
110
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
111
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
112
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
113
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
114
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
115
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
116
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
117
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
118
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
119
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
120
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
121
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
122
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
123
|
CC1(C2CCCCC2N=C(O1)C3CCCCC3)C
|
|
|
124
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
125
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
126
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
127
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
128
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
129
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
130
|
CC(=O)NC1=C(c2ccccc2C1)C3=Cc4ccccc4C3
|
|
|
131
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
132
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
133
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
134
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
135
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
136
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
137
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
138
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
139
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
140
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
141
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
|
142
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
143
|
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
|
|
|
144
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
145
|
CC1(C=C(c2cc(ccc2C1=O)F)n3ccccc3=O)C
|
|
|
146
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
147
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
|
148
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
149
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
150
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
151
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
152
|
c1cc2c(cc1CN3[C@@H]4C=CC=C[C@H]4C(=O)C3=O)OCO2
|
|
|
153
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
154
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
155
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
156
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
157
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
158
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
159
|
|
|
|
160
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
161
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
162
|
CCOC(=O)[C@@H]1C2C(NC3CCCCC3N2)N4[C@@H]1CCC4
|
|
|
163
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
164
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
165
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
166
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
|
167
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
168
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
169
|
CN1C=C[C@@H](C2C1CCCC2)[C@@H](C#N)C3CCCCC3
|
|
|
170
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
171
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
172
|
Cncc([nH]/c1=NC(=O)C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
173
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
174
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
175
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
176
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
177
|
Cc1c(sc(n1)C)c2cc(n3c(n2)c(cn3)c4ccccc4)[O-]
|
|
|
178
|
c1ccc(cc1)/C/2=N/CCOC(=O)c3c2cccc3
|
|
|
179
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
180
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
181
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
182
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
183
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
184
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
185
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
186
|
CC1(OC(=O)C(=c2c3cccc4c3c([nH]2)ccc4)C(=O)O1)C
|
|
|
187
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
188
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
189
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
190
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
191
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
192
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
193
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
194
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
195
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
196
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
197
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
198
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
199
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
200
|
Cc1c(nc(o1)c2ccoc2)CN3CCC[C@H]3C(=O)OC
|
|
|
201
|
CC(C)/C=C/c2nc3c(c(=O)n2[C@@H](C(=O)N1)C(C)C)C=CC=CO3
|
|
|
202
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
203
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
204
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
205
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
206
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
207
|
|
|
|
208
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
209
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
210
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
211
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
212
|
c1ccc2c(c1)c3c([nH]2)-c4ccccc4OCC3
|
|
|
213
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
|
214
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
215
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
216
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
217
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
218
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
219
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
220
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
221
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
222
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
223
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
224
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
225
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
226
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
227
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
228
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
229
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
230
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
231
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
232
|
CCOC(=O)c1c(cccc1OC)/C=C/c2c(ncs2)Cl
|
|
|
233
|
|
|
|
234
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
235
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
236
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
237
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
238
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
239
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
240
|
COC1=C[C@@H]([C@@](C=C1OC)(c2ncccn2)OC)C(=O)N
|
|
|
241
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
242
|
CCCC(=O)/[NH+]=c/cc(c-2c(oc3ccccc3c2n1)O)C
|
|
|
243
|
c1ccc(cc1)[C@@H]2c3c4ccccc4c(=O)[nH]c3N=C5N2C=CC=C5
|
|
|
244
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
|
245
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
|
246
|
COCC/N=c/c(=C2C=CC(=O)C=C2)[nH]c3=CNC=Cn31
|
|
|
247
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
248
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
249
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
250
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
251
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
252
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
253
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
254
|
C[C@@H]1[C@@H]2[C@@H](C=C3CCCC[C@H]3[C@@H]2/C=C/c4ccccn4)C(=O)O1
|
|
|
255
|
Cn1c(=O)n2c(c(n2c1=O)c3ccccc3)c4ccccc4
|
|
|
256
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
257
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
258
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
259
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
260
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
261
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
262
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
|
263
|
|
|
|
264
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
265
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
266
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
267
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
268
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
269
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
270
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
271
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
272
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
273
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
274
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
275
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
276
|
C[C@@H]1C=C[C@@H]([S@@](=O)N1C(=O)CC2CCCCC2)C
|
|
|
277
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
278
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
279
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
280
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
281
|
CCOC(=O)c1c2c3ccccc3[nH]c2n4c1scc4C
|
|
|
282
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
283
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
284
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
285
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
|
286
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
287
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
288
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
289
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
|
290
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
291
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
292
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
293
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
294
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
295
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
296
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
297
|
Cc1cc(nc(n1)Nn2c(cc(c(c2=O)C(=O)C)[O-])C)C
|
|
|
298
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
299
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
300
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
301
|
c1ccc(cc1)S(=O)(=O)NCc2nccs2
|
|
|
302
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
303
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
304
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
305
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
306
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
307
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
308
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
309
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
310
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
311
|
CCS(=O)(=O)c1ccc(c(c1)n2c(c[nH]c2=O)O)OC
|
|
|
312
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
313
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
|
314
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
315
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
316
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
317
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
318
|
CC1C(CC2C(N1)-C3CCCCC3OS2(=O)=O)C(=O)OC
|
|
|
319
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
320
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
321
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
322
|
Cc1nc(c(n1C)O[C@@H]2CCCCO2)SCc3ccccc3
|
|
|
323
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
324
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
325
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
326
|
CN1C(=O)[NH]N(C1=O)[C@@H]2CN3C(=O)N(C(=O)N3-C4C2CCCC4)C
|
|
|
327
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
328
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
329
|
C[C@@]12CCC(=O)N1CCN2C(=O)c3ccc(o3)COC
|
|
|
330
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
331
|
CC1=NC(=NC([C@H]1C#N)(C(F)(F)F)C(F)(F)F)c2ccco2
|
|
|
332
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
333
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
334
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
335
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
336
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
337
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
338
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
339
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
340
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
341
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
342
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
343
|
CC(C)(C)OC(=O)N1CCCC(=O)c2c1nn(c2)C
|
|
|
344
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
345
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
346
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
347
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
348
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
349
|
CC1(COC(=N1)CN(Cc2ccccc2)Cc3ccccc3)C
|
|
|
350
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
351
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
352
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
|
353
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
354
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
355
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
356
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
357
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
358
|
c1cc(sc1)c2cc(c(nc2c3nccs3)[O-])C#N
|
|
|
359
|
c1ccc(cc1)[C@@H]2N(C(=O)C=C(O2)c3ccccc3)c4ccccc4
|
|
|
360
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
361
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
362
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2n4cnc(n4)C#N
|
|
|
363
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
364
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
365
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
|
366
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
367
|
C1CCC2C(C1)-C3CNCNC3N=C(N2)N4CCCCC4
|
|
|
368
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
369
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
370
|
CC1(C=C(Oc2ccccc2O1)S(=O)(=O)c3ccccc3)C
|
|
|
371
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
|
372
|
|
|
|
373
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
374
|
c1ccc2c(c1)[C@@H](OC2=O)c3c(c(=O)cc(o3)CO)O
|
|
|
375
|
Cc1cc(c(=O)n(c1)Cc2cccc(c2)F)NS(=O)(=O)C
|
|
|
376
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
377
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
378
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
379
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
|
380
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
381
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
382
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
383
|
|
|
|
384
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
385
|
CC(=O)[C@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]4N1C=Cc5c4cccc5
|
|
|
386
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
387
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
388
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
389
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
390
|
Cc1c(=O)n2c(nn1)SC[C@@H]2CSc3ccccc3
|
|
|
391
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
392
|
Cc1ccc(o1)[C@@H]2C[C@@H](n3c(ccn3)N2)C(F)(F)F
|
|
|
393
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
394
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
395
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
396
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
397
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
398
|
c1ccc(cc1)c2c-3n(c(=O)s2)C(=O)c4c3cccc4
|
|
|
399
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
400
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
401
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
402
|
CN1c2ccccc2[C@@](C1=O)(c3nnc(o3)c4ccccc4)O
|
|
|
403
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
404
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
405
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
406
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
407
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
408
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
409
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
410
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
411
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
412
|
c1ccc2c(c1)CCN2c3nc4ccccc4o3
|
|
|
413
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
414
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
415
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
416
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
417
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
418
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
419
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
420
|
C=c1/c(=c/c(=O)n3c4ccccc4nc3s2)/c5ccccc5[nH]1
|
|
|
421
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
422
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
423
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
424
|
COCCN1[C@@H]([C@@H](C1=O)Sc2ccccc2)c3cccs3
|
|
|
425
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
426
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
427
|
C=CCc1nc(c2n1cccc2)N3CCOC3=O
|
|
|
428
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
|
429
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
430
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
431
|
Cc1csc(=O)n1CC(=O)ncccc/c2=NC(C)C
|
|
|
432
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
|
433
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
434
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
435
|
|
|
|
436
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
437
|
C[C@@H]1C[C@@]2(C(=O)Nc3ccccc3N=C2O1)CC=C
|
|
|
438
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
|
439
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
440
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
441
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
442
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
443
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
444
|
|
|
|
445
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
446
|
Cc1cc(nc2c1C(=O)C[C@@](O2)(C(F)(F)F)N3CCOCC3)C
|
|
|
447
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
448
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
449
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
450
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
451
|
c1ccc(cc1)[C@@H]2CNC3=C2C(=O)Nc4ccccc4N3
|
|
|
452
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
|
453
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
454
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
455
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
456
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
457
|
C1CCC(CC1)CC[C@@]2(CC(OC2)(C(F)(F)F)C(F)(F)F)O
|
|
|
458
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
459
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
460
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
461
|
|
|
|
462
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
463
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
464
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
465
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
466
|
|
|
|
467
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
|
468
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
469
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
470
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
471
|
CN1CCN(CC1)C2=Nc3cc(ccc3Cc4c2cccc4)F
|
|
|
472
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
473
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
474
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
475
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
476
|
Cc1c(nc2ccccc2n1)c3c(c(ns3)N)C#N
|
|
|
477
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
478
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
479
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
480
|
Cc1c(c(no1)c2ccccc2)c3nc4ccccc4c(=O)o3
|
|
|
481
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
482
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
483
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
484
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
485
|
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
|
|
|
486
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
487
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
488
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
489
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
|
490
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
491
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
492
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
493
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
494
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
495
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
496
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
497
|
C1CCC(CC1)C2=CC3CCCN3-C4CCCCC4S2(=O)=O
|
|
|
498
|
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
|
|
|
499
|
Cc1ccccc1SCCN2CCOC2=O
|
|
|
500
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
501
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
502
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
|
503
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
504
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
505
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
506
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
507
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
508
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
509
|
CCOC(=O)C1=C(NC(=N[C@@H]1c2ccccc2)O)C
|
|
|
510
|
c1ccc(cc1)C2([C@@H]3C=CC[C@@H]3C2=O)c4ccccc4
|
|
|
511
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
512
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
513
|
c1ccc(c(c1)N)Sc2cc(nnc2Cl)Cl
|
|
|
514
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
|
515
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
516
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
517
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
518
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
519
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
520
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
521
|
|
|
|
522
|
COC(=O)c1c(snn1)[N-]S(=O)(=O)c2ccccc2
|
|
|
523
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
|
524
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
525
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
526
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
527
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
|
528
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
529
|
|
|
|
530
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
531
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
532
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
533
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
534
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
535
|
C1CCC(CC1)[S@@]2(=NC3C(CCCC3O)C=C2)=O
|
|
|
536
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
537
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
|
538
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
539
|
Cc1cc(c(cc1N2C(=NC3(C2=O)CCCCC3)C)OC)OC
|
|
|
540
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
541
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
542
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
543
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
544
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
545
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
546
|
COC(=O)C1=C(Oc2c(=O)cc(oc2[C@@H]1c3ccccc3)CO)N
|
|
|
547
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
548
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
549
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
550
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
551
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
|
552
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
553
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
554
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
555
|
c1ccc(cc1)[C@@H]2[C@@H]3CCCCC3=C4CCCC[C@@]4(O2)O
|
|
|
556
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
557
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
558
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
559
|
C1CCC2C(C1)C3C([NH]2)C(=O)CCS3
|
|
|
560
|
c1ccc(cc1)NCc2cscn2
|
|
|
561
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
562
|
C1CCC2C(C1)C3C([NH]2)C(=O)C(CS3)C#N
|
|
|
563
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
564
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
565
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
566
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
567
|