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Virtual screening for IDP 3LAC - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
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2
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
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3
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c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
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4
|
|
|
|
5
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
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6
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
7
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
8
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
9
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
|
10
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
11
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
|
12
|
CC(=O)OC/C=C/c1cccnc1
|
|
|
13
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
14
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
15
|
Cc1ccccc1C=C2C(=O)NC(=O)NC2=O
|
|
|
16
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
17
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
18
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
|
19
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
20
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
|
21
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
22
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
|
23
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
24
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
25
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
26
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
27
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
28
|
C[C@@H](C(=O)C1=N[C@@H]2C(=[NH+]C1)NC(=NC2=O)[NH-])[O-]
|
|
|
29
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
|
30
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
31
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
32
|
C1CCC2C(C1)-C3C(CCCN3)S2(=O)=O
|
|
|
33
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
34
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
35
|
c1ccc(cc1)n2c3c(c(ncn3)[O-])nn2
|
|
|
36
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
|
37
|
|
|
|
38
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
|
39
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
40
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
|
41
|
CC(=O)N[C@@H]1CCC2CCCCC2-C3C1CC(=O)CCC3
|
|
|
42
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
43
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
|
44
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
45
|
c1csc(n1)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
46
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
47
|
c1cc(oc1)c2nnc3n2CCCCC3
|
|
|
48
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
49
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
|
50
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
51
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
52
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
53
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
54
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
55
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
56
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
57
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
58
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
59
|
c1ccc2c(c1)ncn2n3cccc3
|
|
|
60
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
61
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
62
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
63
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
64
|
|
|
|
65
|
c1ccc(cc1)n2c(=O)cccn2
|
|
|
66
|
|
|
|
67
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
|
68
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
|
69
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
70
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
71
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
72
|
Cc1cc(=O)n2c(n1)SCC(=N2)N
|
|
|
73
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
|
74
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
75
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
76
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
77
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
78
|
c1ccc2c(c1)C(=O)N=[S@]2(=O)O
|
|
|
79
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
80
|
c1cc(cc(c1)n2c(c(n(c2=O)C3CC3)[O-])[O-])N
|
|
|
81
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
|
82
|
CCOc1cc(no1)Oc2ccccc2
|
|
|
83
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
84
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
|
85
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
86
|
C#Cc1cc2ccccc2nc1
|
|
|
87
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
88
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
89
|
C1CNCC2C1NC(C(C2)C3=CCCCC3)N
|
|
|
90
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
|
91
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
92
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
|
93
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
|
94
|
c1cc(oc1)c2cc(no2)CO
|
|
|
95
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
96
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
|
97
|
CCc1cccc([o+]1)c2ccccc2
|
|
|
98
|
c1ccc2c(c1)CSc3ccccc3N2
|
|
|
99
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
100
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
101
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
102
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
|
103
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
|
104
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
105
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
|
106
|
CN(C)C(=O)Sc1cnc2ncnn2c1
|
|
|
107
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
|
108
|
c1cc(oc1)C(=O)N[C@@H]2CC(=O)c3c2ccs3
|
|
|
109
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
|
110
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
111
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
112
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
|
113
|
c1ccc(cc1)c2cccnn2
|
|
|
114
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
115
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
116
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
117
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
118
|
Cn1c2nnc(n2nn1)c3ccccc3
|
|
|
119
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2ccno2
|
|
|
120
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
121
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
|
122
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
123
|
|
|
|
124
|
CC1(OC(=CC(=O)O1)CC(=O)c2ccco2)C
|
|
|
125
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
126
|
c1ccc(cc1)c2c3c(on2)CCNC3
|
|
|
127
|
c1ccc(cc1)c2nnc3n2CCCS3
|
|
|
128
|
CNC1CNC2CCCCC2N1
|
|
|
129
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
130
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
|
131
|
C1CCC2C(C1)C3=NC(C[C@@H]3CO2)(C(F)(F)F)C(F)(F)F
|
|
|
132
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
133
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
134
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
135
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
|
136
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
137
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
138
|
c1ccc(cc1)Sn2c3ccccc3nn2
|
|
|
139
|
Cc1c(=O)n2c(=O)cc(sc2nn1)C(=O)OC
|
|
|
140
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
141
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
142
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
143
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
|
144
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
145
|
|
|
|
146
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
147
|
COc1cc(ccc1[C@@H]2N[C@@H]3C=CC=NC3=N2)[S@@](=O)C
|
|
|
148
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
149
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
150
|
c1ccc(cc1)c2cnc3n2CCOC3
|
|
|
151
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
152
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
153
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
154
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
|
155
|
COc1cc(c(s1)C(=O)OC)OC(=O)c2ccco2
|
|
|
156
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
157
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
158
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
|
159
|
CCOC(=O)N[C@@H]1c2ccccc2O[C@@H]3[C@@H]1C=CC=C3
|
|
|
160
|
Cc1nc-2c(s1)CCc3c2cccc3
|
|
|
161
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
162
|
C1=CN2[C@@H](N=C1)N=C3[C@@H](C2=O)NC=N3
|
|
|
163
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
164
|
|
|
|
165
|
CCOC(=O)c1cnc2c3c1onc3CCC2
|
|
|
166
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
|
167
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
168
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
169
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
170
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
171
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
172
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
|
173
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
174
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
175
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
176
|
Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
|
|
|
177
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
178
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
179
|
|
|
|
180
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
181
|
Cc1nc(no1)Cn2cccc(c2=O)C(F)(F)F
|
|
|
182
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
|
183
|
c1(=O)c(=O)sc2nnc(n2[nH]1)C(F)(F)F
|
|
|
184
|
c1ccc2c(c1)c(=O)n3c(n2)CCO3
|
|
|
185
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
186
|
C=c1/c(=C/c2ccccc2O)/c(=O)o[nH]1
|
|
|
187
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
188
|
c1ccnc(c1)n2c(=O)c(=O)[nH]cn2
|
|
|
189
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
|
190
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
191
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
192
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
193
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
194
|
CCOC(=O)/C=C(/c1cnc2n1cccc2)C(F)(F)F
|
|
|
195
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
196
|
c1ccc2c(c1)nnn2c3ccco3
|
|
|
197
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
198
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
199
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
|
200
|
c1ccc2c(c1)Cc3cccnc3O2
|
|
|
201
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
202
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
203
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
204
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
205
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
206
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
|
207
|
c1ccc-2c(c1)CNC(=O)c3c2cccc3
|
|
|
208
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
209
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
210
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
211
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
|
212
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
213
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
214
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
|
215
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
216
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
217
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
218
|
Cc1cc(=O)c(c(o1)[O-])C2=NCCCCC2
|
|
|
219
|
C1CC/C(=C(C#N)/c2nnc3n2CCCC3)/NCC1
|
|
|
220
|
C1CC(OC1)N2C(=O)C(C[NH]C2=O)F
|
|
|
221
|
|
|
|
222
|
COC(=O)CC1=Nc2nncn2C1=O
|
|
|
223
|
CCCCNC(=O)C1=C(NSN1)c2ccccc2O
|
|
|
224
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
225
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
|
226
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
|
227
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
228
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
229
|
c1cc2=CC=CNc2c3c1=CC=CN3
|
|
|
230
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
231
|
CC(C)c1nc2c(c(=O)o1)CCS2
|
|
|
232
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
233
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
234
|
Cc1c(sc(n1)c2ccccc2)c3nnc(n3C)SC
|
|
|
235
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
236
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
237
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
238
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
|
239
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
240
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
|
241
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
242
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
243
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
|
244
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
245
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
246
|
c1ccc2c(c1)-c3ccccc3[S@@](=O)O2
|
|
|
247
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
248
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
249
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
250
|
CNc1cnnc2c1cccc2
|
|
|
251
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
252
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
253
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
254
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
|
255
|
CC1C2C(ON1)CSC3CCCCC3C2=O
|
|
|
256
|
CCc1nc2ccccc2c(=O)n1N
|
|
|
257
|
CCOC(=O)c1nnc(s1)C(C)(C)C
|
|
|
258
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
259
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
260
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
|
261
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
262
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
263
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
264
|
c1ccc2c(c1)ncc3n2ncc3
|
|
|
265
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
|
266
|
CN1CC[C@@H]2C1=NC3CCCCC3[C@@]2(C(=O)OC)O
|
|
|
267
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
268
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
269
|
CC(C)(C)[C@H]1C=NN2N1C(=O)N(C2=O)C3CCCCC3
|
|
|
270
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
|
271
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
|
272
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
273
|
Cc1cc(n(n1)C(=O)c2cc(on2)C)C
|
|
|
274
|
c1cc(=O)oc2c1cc3c(c2O)OCC3
|
|
|
275
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
276
|
COc1cc(cc(c1OC)OC)c2cc(=O)[nH]c(=O)[nH]c2=O
|
|
|
277
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
278
|
c1cnc(cn1)NC2=NCCN2
|
|
|
279
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
280
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
281
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
282
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
|
283
|
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)[O-])F
|
|
|
284
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
285
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
286
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
287
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
288
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
|
289
|
c1cc(oc1)C(=O)c2nccs2
|
|
|
290
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
291
|
c1cc(c(cc1Cl)c2cc([nH]n2)C(F)(F)F)O
|
|
|
292
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
|
293
|
CC(C)c1nc(on1)[C@@H]2Cc3c([nH]c[nH+]3)CN2C(=O)C
|
|
|
294
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
295
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
|
296
|
Cc1conc1n2c(=O)nc3ccccc3n2
|
|
|
297
|
C1CCC2C(C1)C(=O)N3CCCC3[C@@H](N2)O
|
|
|
298
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
299
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
300
|
c1ccc2c(c1)nnn2C3=CCCO3
|
|
|
301
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
|
302
|
c1cn(c(=O)nc1N)[C@@H]2CO[C@@H](O2)CO
|
|
|
303
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
304
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
|
305
|
c1ccc2c(c1)c(sn2)N3CCCCCC3
|
|
|
306
|
Cc1nc(cs1)c2cc(no2)CO
|
|
|
307
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
308
|
c1ccc(cc1)n2c3c(cn2)c(ncn3)N
|
|
|
309
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
310
|
Cc1cc2ncc(cn2n1)C#N
|
|
|
311
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
|
312
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
313
|
CC1CC(=O)N(C(=O)O1)C2CCCCC2
|
|
|
314
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
315
|
CCOC1=C[C@@H](Oc2c1cccc2)c3ccc(cc3)F
|
|
|
316
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
|
317
|
|
|
|
318
|
c1cc(ccc1[C@@H](c2c(nc3nnc(n3n2)N)[O-])C(=O)[O-])Cl
|
|
|
319
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
|
320
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
321
|
CC1=NC(=C[C@@H](N1)c2ccccc2)C(F)(F)F
|
|
|
322
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
323
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
324
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
325
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
326
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
|
327
|
CCSc1ccc(nn1)N
|
|
|
328
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
329
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
|
330
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
|
331
|
CCCc1nc2c(o1)cccn2
|
|
|
332
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
333
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
334
|
C1CCC(C(C1)NC2[NH+]C(C(N2O)[O-])N)F
|
|
|
335
|
c1ccc2c(c1)nc(s2)n3cnc(n3)C#N
|
|
|
336
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
|
337
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
|
338
|
CC1=Nc2cc3c(cc2N=C(C1)C)[nH]c(=O)[nH]3
|
|
|
339
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
|
340
|
|
|
|
341
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
342
|
Cc1c(c(n[nH]1)n2cnc3ccccc3c2=O)c4ccccc4
|
|
|
343
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
|
344
|
|
|
|
345
|
Cc1cn2c(n1)-c3ccccc3C2
|
|
|
346
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
|
347
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
|
348
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
349
|
|
|
|
350
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
351
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
352
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
353
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
354
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
355
|
c1c(cnc2c1CCCC2)C#N
|
|
|
356
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
357
|
CN(C)c1nc(=O)n2c(n1)SCC2
|
|
|
358
|
Cc1cc(nc2c1c(nn2C)n3c(c(nn3)C#N)N)C
|
|
|
359
|
CCOC(=O)/C=C/1CC(=O)Nc2c(non2)N1
|
|
|
360
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
361
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
362
|
c1ccc2c(c1)-c3ccccc3N=CN2
|
|
|
363
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
364
|
CCC/C=C/C2=C(C=CCC2)C(=O)O1
|
|
|
365
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
366
|
|
|
|
367
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
368
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
|
369
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
|
370
|
c1ccc2=NC3=[NH+]CCN3C(=c2c1)[O-]
|
|
|
371
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
372
|
c1ccc(cc1)c2cn3c(n2)scn3
|
|
|
373
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
374
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
375
|
CSc1c(cc(c(=O)[nH]1)c2cccs2)C#N
|
|
|
376
|
Cc1ccc2c(c1)n3c([nH+]2)NCCC3
|
|
|
377
|
c1ccc2c(c1)/C(=Cc3c(n4c(nc3=O)scn4)N)/C=N2
|
|
|
378
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
|
379
|
Cc1c(non1)c2cc3ccccn3c2
|
|
|
380
|
c1ccc2c(c1)CC[C@@]3(C2)Nc4ccccc4S3
|
|
|
381
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
382
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
383
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
384
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
|
385
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
386
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
387
|
|
|
|
388
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
389
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
390
|
c1ccc2c(c1)-c3c[nH]c4c3c(ccc4)C2=O
|
|
|
391
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
392
|
c1ccc(cc1)C2=C(C(=O)N3[C@@H]2CCC3)O
|
|
|
393
|
c1cc(oc1)c2cc(=O)n3cnnc3s2
|
|
|
394
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
395
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
396
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
397
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
398
|
c1ccc2c(c1)nnn2c3ccc4nnnn4n3
|
|
|
399
|
c1cc(=O)oc2c1cc3c(c2O)OC=CC3
|
|
|
400
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
401
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
402
|
CC(=C)C1=CC[C@@H](N(C1)C(=O)OC)c2ccco2
|
|
|
403
|
CCOC(=O)Nc1nc2ccn(c2s1)C
|
|
|
404
|
c1ccc2c(c1)CCc3ccccc3N2
|
|
|
405
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
|
406
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
407
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
408
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
409
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
410
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
|
411
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
412
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
|
413
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
414
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
415
|
Cc1c2c([nH]c1C(=O)C)CCCC2=O
|
|
|
416
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
417
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
418
|
|
|
|
419
|
CCn1c(c(nn1)C(=O)N)N
|
|
|
420
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
421
|
COc1ccc2c(c1O)[C@@H]3CCC=CC3=C2
|
|
|
422
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
423
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
|
424
|
C#CCn1cnc2c1cccc2
|
|
|
425
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
|
426
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
|
427
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
428
|
c1ccc(cc1)C2=Nc3ccccc3N[C@H]2C(=O)[O-]
|
|
|
429
|
c1ccc2c(c1)-c3c(cc(c(=O)o3)C(=O)N)CO2
|
|
|
430
|
Cn1cnc2c(c1=O)noc2C(=O)c3ccccc3
|
|
|
431
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
432
|
CC1(CO/C(=C/C(=O)c2ccccc2)/N1)C
|
|
|
433
|
c1ccc(cc1)n2c(=O)cc3n(c2=O)CCN3
|
|
|
434
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
435
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
436
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
|
437
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
|
438
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
439
|
CC(C)(C)c1cc2n(n1)C3=NCCN3C=N2
|
|
|
440
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
|
441
|
c1ccc(c(c1)[C@@H]2c3ccsc3[C@@H]4CCCC[C@@H]4O2)N
|
|
|
442
|
c1ccc2c(c1)Cc3ccccc3N2
|
|
|
443
|
CC[C@H](C)[C@@H]1C(=Nc2ccccc2C(=N1)O)O
|
|
|
444
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
|
445
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
446
|
c1ccc2c(c1)c-3nncc3co2
|
|
|
447
|
c1ccc(cc1)n2cnc(nc2=[NH2+])N
|
|
|
448
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
|
449
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
|
450
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
451
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
452
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
453
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
454
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
|
455
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
|
456
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
|
457
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
458
|
|
|
|
459
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
|
460
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
461
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
462
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
463
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
464
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
465
|
c1cc(ccc1/C=c/c(=O)n3c(=O)c(c(nc3s2)O)N)F
|
|
|
466
|
c1ccc2c(c1)n(c(=O)o2)Cc3ccon3
|
|
|
467
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
|
468
|
c1cnccc1N2C(=O)C3=C(S2(=O)=O)CCCC3
|
|
|
469
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
470
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
471
|
c1ccc2c(c1)nc3n2[C@@H](C=CS3)O
|
|
|
472
|
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2N(C1=O)CCCO2
|
|
|
473
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
|
474
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
475
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
476
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
477
|
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
|
|
|
478
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
479
|
c1cc2c(c(cs2)N)nc1
|
|
|
480
|
C/C=C/c1c2c(on1)C[C@@H](OC2=O)C
|
|
|
481
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
482
|
Cc1c(=O)n2ccccc2nn1
|
|
|
483
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
484
|
c1cc2c(cc1F)c3c(cn2)nco3
|
|
|
485
|
c1cnccc1c2cc3c(o2)CCNC3=O
|
|
|
486
|
|
|
|
487
|
Cc1c(snn1)c2nnc3n2CCC3
|
|
|
488
|
CSc1cnc2ccccc2n1
|
|
|
489
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
|
490
|
c1ccc2c(c1)nnn2CF
|
|
|
491
|
Cc1nc2ccccc2c(=O)o1
|
|
|
492
|
c1cc(sc1)C(=O)n2cccn2
|
|
|
493
|
c1ccc2c(c1)c(=O)n3c(n2)ccc(=O)[nH]3
|
|
|
494
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
|
495
|
Cc1c(cco1)c2nc3ccccc3s2
|
|
|
496
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
497
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
498
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
499
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
500
|
Cc1c(c2c(o1)[C@@H]3CCCC[C@@H]3OC2=O)c4ccccc4
|
|
|
501
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
502
|
C1CC(C1)c2nc(no2)CO
|
|
|
503
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
|
504
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
|
505
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
|
506
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
|
507
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
|
508
|
CCOC(=O)c1c(c([nH]c1Br)C(=O)OCC)C
|
|
|
509
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
|
510
|
Cc1cc(=O)n2ccccc2n1
|
|
|
511
|
CC1(CC(=CNC(=O)C1)c2ccccc2)C
|
|
|
512
|
c1cc2cc(sc2nc1)CO
|
|
|
513
|
c1cc([nH]c1)c2nnc(nn2)c3ccc[nH]3
|
|
|
514
|
CSc1c(c(sn1)SC)NC(=O)N2CCCC2
|
|
|
515
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
|
516
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
517
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
|
518
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
|
519
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
520
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
521
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
522
|
C1Cc2c(nn(c2N)CCC#N)C1
|
|
|
523
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
524
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
|
525
|
C1CCC(CC1)[S@@]2(=NC3C(CCCC3O)C=C2)=O
|
|
|
526
|
C[C@@H]1CN2C(C(C(=O)[NH]C2=O)C3CCCCC3)O1
|
|
|
527
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
528
|
c1cc(cc(c1)OCc2cscn2)N
|
|
|
529
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
530
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
531
|
|
|
|
532
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
533
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
|
534
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
535
|
COC(=O)N1CCc2c(s[nH]c2=O)C1
|
|
|
536
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
537
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
|
538
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
539
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
540
|
C1CCC(CC1)CC2=NCCNC2=O
|
|
|
541
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
|
542
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
543
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
544
|
CCn1cc(c(n1)C)c2nnc(n2C)SC
|
|
|
545
|
CCCCCCC1CN[NH]N1
|
|
|
546
|
Cc1c(cco1)c2nnc(n2C)SC
|
|
|
547
|
CCOC(=O)c1c(c2c(snc2s1)C)N
|
|
|
548
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
549
|
c1ccc2c(c1)Nc3c(cccn3)S2
|
|
|
550
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
|
551
|
|
|
|
552
|
|
|
|
553
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
554
|
c1ccc(cc1)c2cnc3n2nccc3
|
|
|
555
|
c1c(n(nn1)c2cncc(n2)Cl)CO
|
|
|
556
|
c1cc(sc1)[C@H]2C=N[C@@H]3C=CC=C[C@@H]3N2
|
|
|
557
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
|
558
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
|
559
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
560
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
561
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
562
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
563
|
c1ccc2c(c1)CCC3=C2CCC(=O)N3
|
|
|
564
|
COCCn1c(=O)c2c(nn1)scn2
|
|
|
565
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
566
|
c1ccc2c(c1)nc(c3n2nnn3)N
|
|
|
567
|
|
|
|
568
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
569
|
C1CCC(CC1)C2C(C3C([NH]C2=O)SNN3)[O-]
|
|
|
570
|
CC1=NN2c3ccccc3NC2=NC(=O)C1
|
|
|
571
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|