Menu
Virtual screening for IDP 3N2L - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
2
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
3
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
4
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
5
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
6
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
7
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
8
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
9
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
10
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
11
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
12
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
13
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
14
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
15
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
16
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
17
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
18
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
19
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
20
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
21
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
22
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
23
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
24
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
25
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
26
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
27
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
28
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
29
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
30
|
CC(=O)Nc1nc2ccc(cc2s1)c3nc4ccccc4o3
|
|
|
31
|
|
|
|
32
|
c1ccc2c(c1)ccc3c2C4=C(CCC4)[C@@H](N3)c5ccncc5
|
|
|
33
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
34
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
35
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
36
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
37
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
38
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
39
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
40
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
41
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
42
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
43
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
44
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
45
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
46
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
47
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
48
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
49
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
50
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
51
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
52
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
53
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
54
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
55
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
56
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
57
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
58
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
59
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
60
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
61
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
62
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
63
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
64
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
65
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
66
|
|
|
|
67
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
68
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
69
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
70
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
71
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
72
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
73
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
74
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
75
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
76
|
CC1([C@@H](N(C(=O)N1C)c2cccc3c2cccc3)n4cncn4)C
|
|
|
77
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
78
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
79
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
80
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
81
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
82
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
83
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
84
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
85
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
86
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
87
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
88
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
89
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
90
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
91
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
92
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
93
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
94
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
95
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
96
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
|
97
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
98
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
99
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
100
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
101
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
102
|
C[C@@H]1N([C@@H]2c3cccc4c3c(ccc4)[C@@H]2O1)c5ccccc5
|
|
|
103
|
Cc1ccc(c(c1)n2c3c(nn2)[C@@](CS3)(c4ccccc4)O)C
|
|
|
104
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
105
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
106
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
107
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
108
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
109
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
110
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
111
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
112
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
113
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
114
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
115
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
116
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
117
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
118
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
119
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
120
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
121
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
122
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
123
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
|
124
|
CC1CCC(CC1)S(=O)(=O)NC2CC(C3C(C2C)CCN=C3)C
|
|
|
125
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
126
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
127
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
128
|
CCOC(=O)[C@@]12CCCC=C1N(C(=O)CC2)Cc3ccccc3
|
|
|
129
|
Cc1cc(nc(n1)N2C=C[C@H]3[C@@H]4C[C@H]([C@@H]2C3=O)C=C4)C
|
|
|
130
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
131
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
132
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
133
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
134
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
135
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
136
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
137
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
|
138
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
139
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
140
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
141
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
142
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
143
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
144
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
145
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
146
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
147
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
148
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
149
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
150
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
|
151
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
152
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
153
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
154
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
155
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
156
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
157
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
158
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
159
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
160
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
161
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
162
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
163
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
164
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
165
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
166
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
167
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
|
168
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
169
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
170
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
171
|
c1ccc(cc1)C2=Nc3nnnn3[C@@H](C2)c4ccccc4Cl
|
|
|
172
|
|
|
|
173
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
174
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
175
|
CCOc1ccc(cc1C)c2nnc(n2c3ccc(nc3)OC)C
|
|
|
176
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
177
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
178
|
COc1ccc(cc1)/N=c/c3ccccc3[nH]c(=O)cn2
|
|
|
179
|
CN(C)S(=O)(=O)n1c2ccccc2c3c1nc4ccccc4n3
|
|
|
180
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
181
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
182
|
Cc1cc(n(n1)c2c3c(c(n(c3ncn2)CC(C)C)C)C)C
|
|
|
183
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
184
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
|
185
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
186
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
187
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
188
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
189
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
190
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
191
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
192
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
193
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
194
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
195
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
196
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
197
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
198
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
199
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
200
|
c1ccc(cc1)c2c(c-3c(oc2=O)CCc4c3cccc4)[O-]
|
|
|
201
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
202
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
203
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
204
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
205
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
206
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
207
|
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
|
|
|
208
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
209
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
210
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
211
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
|
212
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
213
|
Cc1c(c2nnc3c(n2n1)csc3NC(=O)C)c4ccccc4
|
|
|
214
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
215
|
C=CC[C@@H]1CC=C[C@H](N1C(=O)c2[nH]ccn2)c3ccccc3
|
|
|
216
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
217
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
218
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
219
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
220
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
221
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
222
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
223
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
224
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
225
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
226
|
Cc1ccc(cc1)[C@@H]2N=C(C(=N2)c3ccccc3OC)C
|
|
|
227
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
228
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
229
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
230
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
231
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
232
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
233
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
234
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
235
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
236
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
237
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
238
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
239
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
240
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
241
|
CCc1nc(n(c(=O)n1)c2ccccc2)N3CCOCC3
|
|
|
242
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
243
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
244
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
245
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
246
|
|
|
|
247
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
248
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
249
|
[H]/N=C/[C@@H](c2c(nc3ccccc3n2)Sc4ccccc4N1)C#N
|
|
|
250
|
|
|
|
251
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
|
252
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
253
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
254
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
255
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
256
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
257
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
258
|
Cc1ccccc1[C@@H]2N=C(Nc3n2c4ccccc4c(=O)n3)N
|
|
|
259
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
260
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
261
|
|
|
|
262
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
263
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
264
|
CN1C=CC2=C(Cn3c(nc(n3)c4ccccc4)C2=C1)C(=O)OC
|
|
|
265
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
266
|
CCn1c2ccccc2c3c(c1=O)C(=Nc4ccccc4O3)C
|
|
|
267
|
|
|
|
268
|
CSc1nc2c(cc(s2)c3ccccc3)nn1
|
|
|
269
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
270
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
271
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
272
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
273
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
274
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
275
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
276
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
277
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
278
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
279
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
280
|
c1ccc2c(c1)C(=O)c3cccc4c3C2=NNS4(=O)=O
|
|
|
281
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
282
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
283
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
284
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
285
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
286
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
287
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
288
|
|
|
|
289
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
290
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
291
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
292
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
293
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
294
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
295
|
CNc1nc(nc(n1)n2c3ccccc3nc2C(F)(F)F)NC
|
|
|
296
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
|
297
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
298
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
299
|
Cc1cc(c(nc1OC)C)Nc2c(=O)n(nc(n2)C)[C@@H](C)C3CC3
|
|
|
300
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
301
|
|
|
|
302
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
303
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
304
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
305
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
306
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
307
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
308
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
309
|
Cc1cc(c(c(c1)C)Oc2c(c(cc(n2)C)O[C@@H]3CCOC3)C)C
|
|
|
310
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
311
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
312
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
313
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
314
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
315
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
316
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
317
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
318
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
319
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
320
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
|
321
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
322
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
323
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
324
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
325
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
326
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
327
|
Cc1c(c2c(c(c1N)C)[C@@H](C(O2)(C)C)c3cccnc3)C
|
|
|
328
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
329
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
330
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
331
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
332
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
333
|
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
|
|
|
334
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
335
|
COC(=O)c1ccc(cc1)NC(=O)/C=c/2[nH]s[nH]c(=C)n2N
|
|
|
336
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
337
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
338
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
339
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
340
|
Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
|
|
|
341
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
342
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
343
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
344
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
345
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
346
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
347
|
C1CCC(CC1)CC[C@@]2(CC(OC2)(C(F)(F)F)C(F)(F)F)O
|
|
|
348
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
349
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
350
|
COC1C2C(C(C3C1[C@@H](C4CCCCC4C3=O)O)OC)CC=CC2
|
|
|
351
|
c1ccc2c(c1)ccc3c2[C@@]4(CCO3)c5ccccc5C=C[C@@H]4O
|
|
|
352
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
353
|
CCOC(=O)c1c2c3ccccc3[nH]c2n4c1scc4C
|
|
|
354
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
355
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
356
|
C[C@]12CN(C[C@H]1NC(=O)c3ccccc3C2=O)C(=O)C4CC4
|
|
|
357
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
358
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
359
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2C=CC=C3)C#N
|
|
|
360
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
361
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
362
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
363
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
364
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
365
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
366
|
|
|
|
367
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
368
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
369
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
370
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
371
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
372
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
373
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
374
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
375
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
376
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
377
|
c1ccc(cc1)[C@@H]2CNC3=C2C(=O)Nc4ccccc4N3
|
|
|
378
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
|
379
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
380
|
c1ccc(cc1)C2=NC(=O)N=C2NC(=O)Nc3ccc(cc3)Cl
|
|
|
381
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
382
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
383
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
384
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
385
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
386
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
387
|
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
|
|
|
388
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
389
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
390
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
391
|
|
|
|
392
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
393
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
394
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
395
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
396
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
397
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
398
|
COC1CCC2C(C1)O[C@@]3(C4CC5C(CC4O[C@@H]3C2)OCO5)O
|
|
|
399
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
400
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
401
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
402
|
CCCCC1=N[C@@H]2[C@@H](c3c(c(ncn3)OC)S2)C4=C1CCC4
|
|
|
403
|
CC1([C@@](c2ccccc2O1)(c3ccc4ccccc4n3)O)C
|
|
|
404
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
405
|
COc1ccc(cc1)c2csc3c2-n4cccc4C3=O
|
|
|
406
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
407
|
|
|
|
408
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
409
|
CC1=C(C[C@@H](C(=O)N1)C#N)c2ccc(cc2)n3ccnc3
|
|
|
410
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
411
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
412
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
413
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
|
414
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
415
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
416
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
417
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
418
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
419
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
420
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
421
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
422
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
423
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
424
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
425
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
426
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
427
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
428
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
429
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
430
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
431
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
432
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
433
|
c1cnc(nc1)N2[C@@H]3C[C@H](C2(C(F)(F)F)C(F)(F)F)C=C3
|
|
|
434
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
435
|
Cc1cc(nc2c1C(=O)C[C@@](O2)(C(F)(F)F)N3CCOCC3)C
|
|
|
436
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
437
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
438
|
CC(C)(C)C(=O)[C@@]1([C@@H](c2ccccc2O1)O)n3cncn3
|
|
|
439
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
440
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
441
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
442
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
443
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
444
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
445
|
CC(=O)N1c2cc3c(cc2N(c4c1non4)C(=O)C)nccn3
|
|
|
446
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
|
447
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
448
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
449
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
450
|
CC1=CC=CN2C1=[NH+]C(=C3C2=NC(=O)C[C@@H]3c4ccc(cc4)F)[O-]
|
|
|
451
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
452
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
453
|
CCOc1ccc(nn1)Sc2cc(nc(n2)SCC)C
|
|
|
454
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
455
|
CC1NNC2N1-C3CCCCC3-C4C(C5CCCCC5[NH]4)C2
|
|
|
456
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
457
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
458
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
459
|
c1ccc2c(c1)[C@@H]3[C@@H](S2(=O)=O)n4cnc5c4c(ncn5)S3
|
|
|
460
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
461
|
CC1CCC2C3C1C(=O)[C@@H](C3=CCN2C(=O)C)C(=O)N
|
|
|
462
|
CCN1C=CC(=C2N=C3CCCCC3=N2)C4C1CCCC4
|
|
|
463
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
464
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
465
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
466
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
467
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
468
|
CC1(CC(=O)C2(C(=O)C1)OC(=NS2)c3ccc(cc3)Cl)C
|
|
|
469
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
470
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
471
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
472
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
473
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
474
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
475
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
476
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
477
|
|
|
|
478
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
479
|
c1ccc2c(c1)ccc3c2c4c([nH]3)C5=C(COC=C5)OC4
|
|
|
480
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
481
|
c1ccc-2c(c1)[C@]34CCN5[C@H]3C[C@@H](C5=O)c6c4n2c(=O)cc6
|
|
|
482
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
483
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
484
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
|
485
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
486
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
487
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
488
|
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O
|
|
|
489
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
490
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
491
|
CC1(Cc2c(n3c(c2C#N)nc(cn3)c4ccccc4)CO1)C
|
|
|
492
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
493
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
494
|
|
|
|
495
|
c1ccc2c(c1)C=CN3[C@@H]2C([C@@H]([C@H]3C(=O)N)c4ccco4)(C#N)C#N
|
|
|
496
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
497
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
498
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
499
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
500
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
501
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
502
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
503
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
504
|
Cc1ccc(cc1C)c2c(cccn2)OC3(CCCC3)C(=O)[O-]
|
|
|
505
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
|
506
|
CCnc(=O)/c(=C/Nc2ccccc2)/s/c1=C(C#N)/C(=O)[O-]
|
|
|
507
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
|
508
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
509
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
510
|
|
|
|
511
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
512
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
513
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
514
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
515
|
CC1=C[C@@]2(C3CCCCC3C(=O)[C@@H]2C(=O)N1)C4CCCCC4
|
|
|
516
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
|
517
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
518
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
519
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
520
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
521
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
522
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
523
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
524
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
525
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
|
526
|
|
|
|
527
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
528
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
529
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
530
|
Cc1nc2c3c(ncn2n1)OC4=NN=C([C@H]4[C@H]3c5ccccc5)C
|
|
|
531
|
|
|
|
532
|
|
|
|
533
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
534
|
|
|
|
535
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
536
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
537
|
CCOC(=O)C1=C(NC(=N[C@@H]1c2ccccc2)O)C
|
|
|
538
|
CC1(OC[C@@H]([C@H](O1)CCO)/C=C/C=CCCCC(=O)OC)C
|
|
|
539
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
|
540
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
541
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
|
542
|
CCOC(=O)C1=C(NC(=O)c2c(ccc(c2OC)OC)[C@@H]1O)C
|
|
|
543
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
544
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
545
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
546
|
Cc1ccc2n1-c3cc(c(cc3C(=O)NC2)OC)OC
|
|
|
547
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
548
|
CCOC(=O)C1=C(N=C2Nc3ccccc3N2[C@@H]1c4ccco4)C
|
|
|
549
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
|
550
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
551
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
552
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
553
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
|
554
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
555
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
556
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
557
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
|
558
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
|
559
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
560
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
561
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
562
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2c(cc(n2)C)C
|
|
|
563
|
CCOC(=C(C)C)n1c(nc(n1)[C@@H](C)OC)[C@@H](C)OC
|
|
|
564
|
COc1cc(ccc1O)C#CC#CCN2CCCCC2
|
|
|
565
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
566
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
567
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
|
568
|