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Virtual screening for IDP 3IV8 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
2
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
3
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
4
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
5
|
C[C@@H]1[C@@H]2[C@@H](C=C3CCCC[C@H]3[C@@H]2/C=C/c4ccccn4)C(=O)O1
|
|
|
6
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
7
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
8
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
9
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
10
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
11
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
12
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
13
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
14
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
15
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
16
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2ccno2
|
|
|
17
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
18
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
19
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
20
|
CCc1cc2c(s1)S[C@@H](NC2=O)c3ccccc3
|
|
|
21
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
22
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
23
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
|
24
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
25
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
26
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
27
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
28
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
29
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
30
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
31
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
32
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
33
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
34
|
C=c1/c(=c/c(=O)n3c4ccccc4nc3s2)/c5ccccc5[nH]1
|
|
|
35
|
Cc1c(cc2c(n1)sc(=O)[nH]2)c3ccncc3
|
|
|
36
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
37
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
38
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
39
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
40
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
41
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
42
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
43
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
44
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
45
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
46
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
47
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
48
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
49
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
50
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
51
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
52
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
53
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
54
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
55
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
56
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
57
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
58
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
59
|
CCn1c(ccn1)[C@@H]2CCCN2C(=O)NCC(=O)OC
|
|
|
60
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
61
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
62
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
63
|
|
|
|
64
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
65
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
66
|
Cc1c(c2n(n1)[C@@H](C(=O)N2)CC(=O)[O-])c3ccccc3
|
|
|
67
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
68
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
69
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
70
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
71
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
72
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
73
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
74
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
|
75
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
76
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
77
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
78
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
79
|
|
|
|
80
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
81
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
82
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
83
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
84
|
|
|
|
85
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
86
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
87
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
88
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
89
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
|
90
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
91
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
92
|
Cc1ccc(cc1)NC(=O)[C@@H]2CC(=O)n3cnnc3N2
|
|
|
93
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
94
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
95
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
96
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
97
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
|
98
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
99
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
100
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
101
|
c1ccc2c(c1)-c3c(c(=O)n([nH]3)c4ccccn4)CS2
|
|
|
102
|
c1ccc(cc1)C2=NC(=O)N=C2NC(=O)Nc3ccc(cc3)Cl
|
|
|
103
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
104
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
105
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
106
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
107
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
108
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
|
109
|
|
|
|
110
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
111
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
112
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
113
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
114
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
115
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
116
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
117
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
118
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
119
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
120
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
121
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
122
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
123
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
124
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
125
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
126
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
127
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
128
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
129
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
130
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
131
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
132
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
133
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
134
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
135
|
CC(=O)c1c(nn(n1)c2ccc(cc2)F)Nc3ccc(nc3)OC
|
|
|
136
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
137
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
138
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
139
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
140
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
141
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
142
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
143
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
|
144
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
145
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
146
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
|
147
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
148
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
149
|
Cc1cc(=O)n2c([nH]1)c(c(n2)NC)c3nc(no3)c4ccccc4
|
|
|
150
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
151
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
152
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
153
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
154
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
155
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
156
|
Cn1cc(ccc1=O)c2nnc(o2)c3cc4c(s3)CCC4
|
|
|
157
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
158
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
159
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
160
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
161
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
162
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
163
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
164
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
165
|
COc1ccc(cc1)C2=Nc3ccccc3SCN2
|
|
|
166
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
167
|
C1CCC2(CC1)[C@@H]([C@@]3(CCCC=C3)NC2=O)O
|
|
|
168
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
169
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
|
170
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
171
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
172
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
173
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
174
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
|
175
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
176
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
177
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
|
178
|
|
|
|
179
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
180
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
181
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
182
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
183
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
184
|
c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
|
|
|
185
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
186
|
CN1CC(=O)N=C1/N=C(/C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
187
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
188
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
189
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
190
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
191
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
192
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
|
193
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
|
194
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
195
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
|
196
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
|
197
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
|
198
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
199
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
200
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
201
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
|
202
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
203
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
204
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
205
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
206
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
207
|
C1CC(CCC1NC(=O)C2=C([C@@H]3C=C[C@H]2O3)C(=O)[O-])CL
|
|
|
208
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
209
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
210
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
211
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
|
212
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
213
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
214
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
|
215
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
216
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
|
217
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
|
218
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
219
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
220
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
221
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
222
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
223
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
224
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
225
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
226
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
227
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
228
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
229
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
230
|
|
|
|
231
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
232
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
233
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
234
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
235
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
236
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
237
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
238
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
239
|
c1ccc(cc1)c2nc3c(o2)c(nc(n3)N)[O-]
|
|
|
240
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
241
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
242
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
243
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
244
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
245
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
246
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
247
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
248
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
249
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
250
|
|
|
|
251
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
252
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
253
|
CCOC(=O)CCC1NC(C(C2N1NNN2)C)C(=O)OCC
|
|
|
254
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
255
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
256
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
|
257
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
258
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
259
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
260
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
261
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
262
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
263
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
|
264
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
265
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
266
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
267
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
|
268
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
269
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
270
|
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
|
|
|
271
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
|
272
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
273
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
274
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
|
275
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
276
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
277
|
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
|
|
|
278
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
279
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
280
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
281
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
282
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
283
|
Cc1ccc(cc1)Nc2[nH+]c(=O)cc(s2)C
|
|
|
284
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
285
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
286
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
287
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
288
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
289
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
290
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
291
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
292
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
293
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
294
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
295
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
296
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
297
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
298
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
299
|
|
|
|
300
|
|
|
|
301
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
302
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
303
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
304
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
305
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
306
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
307
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
308
|
CCnc(=O)/c(=C/Nc2ccccc2)/s/c1=C(C#N)/C(=O)[O-]
|
|
|
309
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
310
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
311
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
312
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
313
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
314
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
315
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
316
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
|
317
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
318
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
319
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
320
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
321
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
322
|
|
|
|
323
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
324
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
|
325
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
326
|
Cn1c2c(cn1)CN(CC2)S(=O)(=O)c3ccc(cc3)Cl
|
|
|
327
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
328
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
329
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
|
330
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
331
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
332
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
333
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
334
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
|
335
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
336
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
337
|
CCnccnc(/c1=Nc2ccc(cc2)OC)N3CCOCC3
|
|
|
338
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
|
339
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
340
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
341
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
342
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
343
|
c1ccc(cc1)C2=N/C(=C/Nc4ccccc4S3)/C(=O)N2
|
|
|
344
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
345
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
346
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
347
|
Cc1c(n(c(c1C#N)NC(=O)c2cccs2)CC3CC3)C
|
|
|
348
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
349
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
350
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
351
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
352
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
353
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
354
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
355
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
356
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
357
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
358
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
359
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
360
|
CCn1cc2c(n1)c(=O)n(nn2)C3CCCCC3
|
|
|
361
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
|
362
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
363
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
364
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
365
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
366
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
367
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
368
|
c1ccc(cc1)NC(=O)N(c2ccccc2)C3=NCCC3
|
|
|
369
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
370
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
371
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
372
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
373
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
374
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
375
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
376
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
377
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
378
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
|
379
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
380
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
381
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(OC(=C3C(=O)[O-])CO)O)O
|
|
|
382
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
|
383
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
384
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
385
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
386
|
c1ccc2c(c1)Cc3c[nH]cc3C2
|
|
|
387
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
388
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
389
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
390
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
391
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
392
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
393
|
c1ccc2c(c1)CC[C@@]3(C2)Nc4ccccc4S3
|
|
|
394
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
395
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
396
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
397
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
398
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
|
399
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
400
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
401
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
402
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
403
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
404
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
|
405
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
406
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
407
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
408
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
409
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
410
|
c1c(cn[nH]1)C23CC4CC(C2)CC(C4)C3
|
|
|
411
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
412
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
413
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
414
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
415
|
CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2
|
|
|
416
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
417
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
418
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
419
|
CCOC(=O)/C=C(/c1cnc2n1cccc2)C(F)(F)F
|
|
|
420
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
421
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
422
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
423
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
424
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
425
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
426
|
Cc1c(sc(n1)NC(=O)C)c2nc(no2)c3ccccc3
|
|
|
427
|
c1ccc(cc1)n2nc(c(n2)N3CCCCC3)C#N
|
|
|
428
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
429
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
430
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
431
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
|
432
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
|
433
|
CN1c2ccccc2S[C@@]13COc4ccccc4O3
|
|
|
434
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
435
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
436
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
437
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
438
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
439
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
440
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
441
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
|
442
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
443
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
444
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
445
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
446
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
447
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
|
448
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
449
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
450
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
451
|
Cc1c2c3c(cnc2sn1)c(n(n3)c4ccc(cc4)Cl)O
|
|
|
452
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
453
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
|
454
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
455
|
CCCCNC(=O)C1=C(NSN1)c2ccccc2O
|
|
|
456
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
457
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
458
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
|
459
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
460
|
Cc1c(c(=O)[nH]c(=O)[nH]1)c2cccc(c2)n3cccn3
|
|
|
461
|
CC(C)(C)Cn1c(cc2c1nc(nc2)C#N)COc3ccncc3
|
|
|
462
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
463
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
464
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
465
|
|
|
|
466
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
|
467
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
468
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
469
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
470
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
471
|
CSc1c(c(sn1)SC)NC(=O)OC[C@@H]2CCCO2
|
|
|
472
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
473
|
|
|
|
474
|
COc1ccc2c(cc(=O)oc2c1)c3c(c4ccccc4s3)O
|
|
|
475
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
|
476
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
477
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
|
478
|
C[C@@]12CCC(=O)N1CCN2C(=O)c3ccc(o3)COC
|
|
|
479
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
480
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
481
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
482
|
Cc1cc(c2nncn2n1)n3cc(c(=O)[nH]c3=O)F
|
|
|
483
|
c1ccc(cc1)n2c(=O)c3cnc4c(c3[nH]2)cc(s4)C(=O)[O-]
|
|
|
484
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
485
|
CC1(Cc2ccccc2-c3c1c(=O)oc(n3)c4ccccc4)C
|
|
|
486
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
487
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
|
488
|
c1nc([nH]n1)OC23CC4CC(C2)CC(C4)C3
|
|
|
489
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
490
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
491
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
492
|
c1ccc2c(c1)c(c[nH]2)c3c(=O)[nH]c4ccccc4n3
|
|
|
493
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
494
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
495
|
CNC(=O)Nc1ccc2c(c1)nnn2C
|
|
|
496
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
497
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
498
|
CC(=O)Nc1c(c(cs1)C2=C[C@@H]3[C@@H](C=C2)OCO3)C#N
|
|
|
499
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
|
500
|
CN1c2ccccc2[C@@](C1=O)(c3nnc(o3)c4ccccc4)O
|
|
|
501
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
502
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
|
503
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
504
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
505
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
506
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
507
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
|
508
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
|
509
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
510
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
|
511
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
512
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
|
513
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
514
|
CC1=CC(NC(=O)N1c2ccccc2)(C)C
|
|
|
515
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
516
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
|
517
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
518
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
519
|
|
|
|
520
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
521
|
CC(=C/C=C/c1c(c2ccccc2s1)OC(=O)N(C)C)C
|
|
|
522
|
c1ccc(cc1)N2[C@H]3C[C@@H]4[C@@H]2[C@@H](CC3=O)c5c4cccc5
|
|
|
523
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
524
|
c1ccc2c(c1)nnn2c3ccco3
|
|
|
525
|
Cc1c(scn1)c2[n-]c3cc(cnc3n2)Br
|
|
|
526
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
527
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
528
|
c1ccc2c(c1)CCN2c3nc4ccccc4o3
|
|
|
529
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
530
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
531
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
532
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
533
|
c1ccc(cc1)c2nn3c(=O)c4ccccc4nc3o2
|
|
|
534
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
|
535
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
|
536
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
537
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
538
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
539
|
CCCCc1c(c(=O)n2c(c(cnc2c1SC)C#N)N)C#N
|
|
|
540
|
c1cc(ccc1n2c(=O)n3c(n2)NCCC3)F
|
|
|
541
|
Cn1c(ncn1)c2csc(n2)c3ccncc3
|
|
|
542
|
Cc1c(ccc(=O)n1c2ccccc2)n3c4ccccc4nn3
|
|
|
543
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
544
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
545
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
546
|
CCOC(=O)c1c(n(c2c1-c3c(non3)CC2)OC)C
|
|
|
547
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
548
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
549
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
550
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
551
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
552
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
553
|
|
|
|
554
|
|
|
|
555
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
556
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
557
|
CCc1cc2c(cc1O)occ(c2=O)n3ccccc3=O
|
|
|
558
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
|
559
|
c1ccc(cc1)c2nn3c(nnc3s2)c4cc5ccccc5[nH]4
|
|
|
560
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
|
561
|
COC1=CC=C/C(=C/C=C/2C=CC3CCCCC3N2)/C1=O
|
|
|
562
|
C1CC2C(CC1BR)C3CCNC(C3[NH]2)C4=NCCC4
|
|
|
563
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
|
564
|
CC1=NC(=NC([C@H]1C#N)(C(F)(F)F)C(F)(F)F)c2ccco2
|
|
|
565
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
566
|
c1ccc2c |