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Virtual screening for IDP 3N77 - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
2
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
3
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
4
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
5
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
6
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
7
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
8
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
9
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
10
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
11
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
12
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
13
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
14
|
|
|
|
15
|
Cc1c(c(=O)[nH]c(=O)[nH]1)c2cccc(c2)n3cccn3
|
|
|
16
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
17
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
18
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
19
|
|
|
|
20
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
21
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
22
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
23
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
24
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
25
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
26
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
27
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
28
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
29
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
30
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
31
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
32
|
|
|
|
33
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
34
|
c1cc(cnc1)C#C[C@@]2(c3cc(ccc3NC(=O)N2)Cl)C4CC4
|
|
|
35
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
36
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
37
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
38
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
39
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
40
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
41
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
42
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
43
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
44
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
45
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
46
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
47
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
48
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
49
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
50
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
51
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
52
|
|
|
|
53
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
|
54
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
55
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
56
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
57
|
c1ccc2c(c1)c3c([nH]2)[C@@]45CCCC=C4N(C(=O)N5CC3)CCO
|
|
|
58
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
59
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
60
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
61
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
62
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
63
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
64
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
|
65
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
66
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
67
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
68
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
69
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
70
|
|
|
|
71
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
72
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
73
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
74
|
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
|
|
|
75
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
76
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
77
|
c1ccc2c(c1)nc3n2[C@@H](NC(=[NH+]3)N)c4ccco4
|
|
|
78
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
79
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
80
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
81
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
82
|
c1cc(cc(c1)N)c2c3c(c4n2CCC4)c(=O)[nH]nc3[O-]
|
|
|
83
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
84
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
85
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
86
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
87
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
88
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
89
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
90
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
91
|
|
|
|
92
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
93
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
94
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
95
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
96
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
97
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
98
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
99
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
100
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
101
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
102
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
103
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
104
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
|
105
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
106
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
107
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
108
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
109
|
|
|
|
110
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
111
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
112
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
113
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
114
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
115
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
116
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
117
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
118
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
119
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
120
|
|
|
|
121
|
Cc1cc(nc(n1)n2c(cc(=O)[nH]c2=O)N)C
|
|
|
122
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
123
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
|
124
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
125
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
126
|
Cc1c2c(n[nH]1)Oc3c(c(c(c(=O)[nH]3)C#N)N)[C@@H]2c4ccccc4
|
|
|
127
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
128
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
129
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
130
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
|
131
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
132
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
133
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
134
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
|
135
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
136
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
137
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
138
|
C/C=C/1C(=O)[NH]/C(=C/C2CCCCC2)/C(=O)[NH]1
|
|
|
139
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
140
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
141
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
142
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
143
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
144
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
145
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
146
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
147
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
148
|
c1cc(cnc1)c2cc([nH]n2)NC(=O)c3cnns3
|
|
|
149
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
150
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
151
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
152
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
153
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
|
154
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
155
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
156
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
157
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
158
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
159
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
160
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
161
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
162
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
163
|
Cc1nnc(s1)SC2=C(Nc3ccccc3NC2=O)C
|
|
|
164
|
|
|
|
165
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
166
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
167
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
168
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
169
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
170
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
171
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
172
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
173
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
174
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
175
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
176
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
177
|
|
|
|
178
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
|
179
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
180
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
|
181
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
182
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
|
183
|
c1ccc(cc1)c2ccn3c(c2)ncc3c4cnsc4
|
|
|
184
|
|
|
|
185
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
186
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
187
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
188
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
189
|
|
|
|
190
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
191
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
192
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
|
193
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
194
|
|
|
|
195
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
196
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
197
|
c1ccc(cc1)[C@@H]2CNC3=C2C(=O)Nc4ccccc4N3
|
|
|
198
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
199
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
200
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
201
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
|
202
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
203
|
|
|
|
204
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
205
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
206
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
207
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
208
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
209
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
210
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
211
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
212
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
|
213
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
214
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
215
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
216
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
217
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
218
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
219
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
220
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
221
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
222
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
223
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
224
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
225
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
226
|
|
|
|
227
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
228
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
229
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
230
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
231
|
CCOC(=O)c1c(c(ccc1N(C)C)[C@@H]2C=CNC(=O)N2)C
|
|
|
232
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
233
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
234
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
235
|
c1cc(c(c2c1nccn2)Br)N=C3NCCN3
|
|
|
236
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
237
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
238
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
|
239
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
240
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
241
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
242
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
243
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
244
|
c1cc(ccc1c2ncc(s2)c3ccc(c(n3)[O-])C#N)Cl
|
|
|
245
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
246
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
247
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
248
|
|
|
|
249
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
250
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
251
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
|
252
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
253
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
254
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
255
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
256
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
257
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
258
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
259
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
|
260
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
261
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
262
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
263
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
264
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
265
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
266
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
267
|
COc1ccc(cc1)/C=C/c2nc3c(o2)C=CCC3
|
|
|
268
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
|
269
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
270
|
c1ccc2c(c1)c(co2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
271
|
|
|
|
272
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
273
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
|
274
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
275
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
276
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
277
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
278
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
279
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
280
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
281
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
282
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
283
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
284
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
285
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
|
286
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
287
|
|
|
|
288
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
289
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
290
|
CC1=Nc2cc3c(cc2N=C(C1)C)[nH]c(=O)[nH]3
|
|
|
291
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
292
|
c1ccc2c(c1)c(c[nH]2)c3c(=O)[nH]c4ccccc4n3
|
|
|
293
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
294
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
295
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
296
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
297
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
298
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
299
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
300
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
301
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
302
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
303
|
c1ccc2c(c1)Nc3cc4=NS(=O)(=O)c5c4c(c3=[NH+]2)ccc5
|
|
|
304
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
|
305
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
|
306
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
307
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
308
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
|
309
|
|
|
|
310
|
CC(=O)c1c(nn(n1)c2ccc(cc2)F)Nc3ccc(nc3)OC
|
|
|
311
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
312
|
c1ccc(cc1)C(=O)NC2=NC(=O)C[C@@H]3N2CCNC3=O
|
|
|
313
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
314
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
315
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
|
316
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
317
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
318
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
319
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
320
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
321
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
322
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
323
|
Cc1c(c(on1)C)c2[nH]c3ccc(cc3n2)S(=O)(=O)N
|
|
|
324
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
325
|
CC1NNC2N1-C3CCCCC3-C4C(C5CCCCC5[NH]4)C2
|
|
|
326
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
327
|
COc1cc(cc(c1OC)OC)c2cc(=O)[nH]c(=O)[nH]c2=O
|
|
|
328
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
329
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
|
330
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
331
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
332
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
333
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
334
|
c1ccc(cc1)n2cc3c(n2)Nc4ccccc4O3
|
|
|
335
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
336
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
|
337
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
338
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
339
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
340
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
341
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
342
|
c1ccc(cc1)[C@@H]2c3nnnn3-c4ccccc4C2=O
|
|
|
343
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
344
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
345
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
346
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
347
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
348
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
349
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
350
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
351
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
352
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
|
353
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
354
|
CC1=C[C@@H]2Cc3c(c(c4c(n3)oc(n4)C5CC5)N)[C@@H](C2)C1
|
|
|
355
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
356
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
357
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
358
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
359
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
360
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
361
|
CCS(=O)(=O)c1ccc(c(c1)n2c(c[nH]c2=O)O)OC
|
|
|
362
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
363
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
364
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
365
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
366
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
367
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
368
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
369
|
|
|
|
370
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
371
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
372
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
373
|
c1ccc(cc1)NC(=O)c2nnc(s2)C(F)(F)F
|
|
|
374
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
375
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
376
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
377
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
378
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
379
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
380
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
381
|
Cc1c(c(no1)c2ccccc2)c3ccn[nH]3
|
|
|
382
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
383
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
384
|
CC1=C([C@@H](C(=C(O1)N)C(=O)OC)c2ccc[nH]2)C(=O)N
|
|
|
385
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
386
|
c1ccc(cc1)[C@@H]2NC(=[NH2+])Nc3n2c4ccccc4n3
|
|
|
387
|
Cc1c(c(n[nH]1)O)[C@@H](c2ccco2)C(C#N)C#N
|
|
|
388
|
Cc1c(oc(c1C#N)NC(=O)CN2CCOCC2)C
|
|
|
389
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
390
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
391
|
Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
|
|
|
392
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
393
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
394
|
c1ccc(cc1)NC2=NN/C(=Nc3ccccc3)/[C@H]2Cl
|
|
|
395
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
396
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
397
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
398
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
399
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
400
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
401
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
402
|
CCOc1nnc(o1)[N-]S(=O)(=O)c2ccc(cc2)N
|
|
|
403
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
404
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
405
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
406
|
Cc1c(cc2c(c(sc2n1)c3nnc(o3)C)N)C(=O)C
|
|
|
407
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
408
|
Cc1cc(on1)n2c(nc3ccccc3c2=O)C
|
|
|
409
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
410
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
411
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
412
|
c1ccc2c(c1)C(=O)C(C2=O)(c3c([nH]c(=O)[nH]c3=O)[O-])O
|
|
|
413
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
|
414
|
[H]/N=c/n2c3ccccc3[nH]c(=O)c2c(s1)c4ccccc4
|
|
|
415
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
416
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
417
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
418
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
419
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
420
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
421
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
422
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
423
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
424
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
425
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
426
|
C[C@@H]1C(=C(Nc2n1c3ccccc3n2)C)C(=O)OC
|
|
|
427
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
428
|
Cc1nnc(s1)SCSc2ccccn2
|
|
|
429
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
430
|
c1ccc2c(c1)n3c(=O)c(=O)[nH]nc3s2
|
|
|
431
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
432
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
433
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2n4cnc(n4)C#N
|
|
|
434
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
435
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
436
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
437
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
438
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
|
439
|
c1ccn(c1)c2c[nH]c(=O)[nH]c2=O
|
|
|
440
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
441
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
442
|
CCc1c(nco1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
|
443
|
C1CCC(CC1)C2=C3[C@@H](CC4C2CCCC4)CNC3=O
|
|
|
444
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
445
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
446
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
447
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
448
|
|
|
|
449
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
450
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
451
|
|
|
|
452
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
453
|
C1CCC(CC1)C2(C3C(CCS3)C(=O)O2)C4CCCCC4
|
|
|
454
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
455
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
456
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
457
|
c1c([nH]nn1)SCC(=O)N
|
|
|
458
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
459
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
460
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
461
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
462
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
463
|
c1cc2c(cc1C(F)(F)F)ncc3c2sc4nncn4c3=O
|
|
|
464
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
465
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
466
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
467
|
Cc1nc2n(n1)C3=CC(CC(=O)C3=NN2)(C)C
|
|
|
468
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
469
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
470
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
471
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
472
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
473
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
474
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
475
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
476
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
477
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
|
478
|
c1ccc2c(c1)ncn2c3c(snn3)C(=O)N
|
|
|
479
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
480
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
481
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
482
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
483
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
484
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
485
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
486
|
CCOc1ccc2c(nc(nc2c1)/N=C/NCCC(=N3)[O-])C
|
|
|
487
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
488
|
CC(C)c1nc2n(n1)C3(CCCCC3)[C@@H]4CCCC[C@@H]4N2
|
|
|
489
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
490
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
491
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
492
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
493
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
494
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
495
|
c1ccc(cc1)[C@H]2[C@@H]3CCCO[C@@H]3NC(=O)N2
|
|
|
496
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
497
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
498
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
499
|
c1cc(ccc1[C@@H]2C=Cc3cc(cnc3O2)Cl)Cl
|
|
|
500
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
501
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
502
|
Cc1c(nc(c(n1)C(=O)NC)NC)CCC(=O)[O-]
|
|
|
503
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
504
|
c1ccc(cc1)c2cn-3c([nH+]2)CCc4c3c5c(cccn5)cc4
|
|
|
505
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
506
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
507
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
508
|
Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O
|
|
|
509
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
510
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
511
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
|
512
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
|
513
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
514
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
515
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
|
516
|
Cn1c(=O)n2c(c(n2c1=O)c3ccccc3)c4ccccc4
|
|
|
517
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
518
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
519
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
520
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
521
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
522
|
CO[C@@]1(CC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
523
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
524
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
525
|
C[C@@H]1CC2=C([C@@H](Sc3ccccc3N2)c4ccccc4)C(=O)C1
|
|
|
526
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
527
|
COc1ccc(cc1)[C@H]2C(=C(C2=O)c3ccc(cc3)OC)[O-]
|
|
|
528
|
c1ccc(cc1)S(=O)(=O)n2cc(c(nc2=O)[O-])F
|
|
|
529
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
530
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
531
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
532
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
|
533
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
534
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
535
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
536
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
537
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
538
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
539
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
540
|
Cc1c2cc(cnc2n(n1)C)[N-]S(=O)(=O)c3cccs3
|
|
|
541
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
542
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
543
|
CCn1c2c(c(n1)C)NC(=O)CNC2=O
|
|
|
544
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
545
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
546
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
547
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
548
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
549
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
550
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
551
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
552
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
553
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
554
|
|
|
|
555
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
556
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
557
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
558
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
559
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
560
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
561
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
562
|
CC1(C(=N[C@@H](C(=O)N1)c2ccccc2)c3ccccc3)C
|
|
|
563
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
564
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
565
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
566
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
567
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
568
|
Cc1c2cnnc(c2c([nH]1)C)[O-]
|