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Virtual screening for IDP 3O6C - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
2
|
Cc1nc(no1)c2ncon2
|
|
|
3
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
4
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
5
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
|
6
|
CNC(=O)OCC#CCOC(=O)NC
|
|
|
7
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
8
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
|
9
|
c1cnc(cn1)c2nnc(o2)N
|
|
|
10
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
11
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
12
|
Cc1cc([nH]n1)OCCC#N
|
|
|
13
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
14
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
15
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
16
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
|
17
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
18
|
Cc1csc(n1)c2nnc(o2)N
|
|
|
19
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
|
20
|
c1nc(nn1CCC#N)N=N=N
|
|
|
21
|
COC(=O)CCc1c[nH]cn1
|
|
|
22
|
CC#CC(=O)COC/C(=C/C=C)/C
|
|
|
23
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
24
|
CCCCCC#COC(=O)OC
|
|
|
25
|
CCC(=O)OC/C=C/C=C/C
|
|
|
26
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
27
|
CCOC(=O)Nc1nc2ccn(c2s1)C
|
|
|
28
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
29
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
|
30
|
C=CCOCCOCCC#N
|
|
|
31
|
CCCc1nncn1NC(=O)OCC
|
|
|
32
|
CC#CCCCCCCC#CC
|
|
|
33
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
34
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
|
35
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
36
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
37
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
38
|
CCOC(=O)CC/C=C/C#C
|
|
|
39
|
c1ncn(n1)NCNn2cncn2
|
|
|
40
|
CCOc1cc(no1)Oc2ccccc2
|
|
|
41
|
Cc1cc(no1)c2nnc(o2)N
|
|
|
42
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
43
|
CC(=O)O/C=C/CC(=O)OC
|
|
|
44
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
45
|
CC(=O)Nc1nc(sn1)Cl
|
|
|
46
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
47
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
48
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
49
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
50
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
51
|
Cc1cc(n(n1)C(=O)NC)C
|
|
|
52
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
53
|
CCCCO[C@@H](C)n1cnnc1
|
|
|
54
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
55
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
56
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
57
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
|
58
|
c1ccc(cc1)n2c3c(cccn3)cn2
|
|
|
59
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
60
|
c1nc([nH]n1)c2c(non2)N
|
|
|
61
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
62
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
63
|
CCCCC#C/C=C/COC(=O)C
|
|
|
64
|
c1ccc(cc1)c2ncc(o2)c3ncco3
|
|
|
65
|
CC1C(CNO1)/C=C/C2CCON2
|
|
|
66
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
|
67
|
Cc1cc(n(n1)c2nc(cs2)C)C
|
|
|
68
|
C/C=C/C=C/C1=CC(=O)CCN1
|
|
|
69
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
70
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
71
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
72
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
|
73
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
74
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
75
|
CC(=O)OC/C=C/OC(=O)C
|
|
|
76
|
CC(=O)NCCn1cccn1
|
|
|
77
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
78
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
|
79
|
C1NC([NH]N1)NC2=NCCO2
|
|
|
80
|
c1cc(nnc1n2cncn2)[O-]
|
|
|
81
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
|
82
|
CC1NC(ON1)C2CCCO2
|
|
|
83
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
|
84
|
C#CCSc1nn2cnnc2o1
|
|
|
85
|
Cc1nc(on1)c2c(non2)N
|
|
|
86
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
87
|
CC#CC#Cc1cccc(=O)o1
|
|
|
88
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
|
89
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
|
90
|
CC1=NN(C(=O)C1)c2ccccc2
|
|
|
91
|
c1cnc(c2c1scc2)C#CCO
|
|
|
92
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
93
|
c1ccc(cc1)c2cc(c(o2)n3cccc3)C#N
|
|
|
94
|
CN1NC(NN1)C2[N-]NNN2
|
|
|
95
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
96
|
COC(=O)c1ncn(n1)CC#N
|
|
|
97
|
Cc1c(=O)n2c(nn1)sc(n2)c3ccco3
|
|
|
98
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
99
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
|
100
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
|
101
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
102
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
103
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
|
104
|
CC1NC(ON1)C2CNCCN2
|
|
|
105
|
C(CF)NC(=O)NCCF
|
|
|
106
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
107
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
|
108
|
c1ccc(cc1)c2nc3[nH]ncn3n2
|
|
|
109
|
COC(=O)Nc1cn2ccccc2n1
|
|
|
110
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
111
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
112
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
113
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
114
|
CNC(=O)NCNC(=O)NC
|
|
|
115
|
c1ccnc(c1)SCCn2cccn2
|
|
|
116
|
Cn1ccnc1COc2ccc(cc2)N
|
|
|
117
|
Cc1ccoc1NC(=O)OC
|
|
|
118
|
C=CCc1cc2nccn2cn1
|
|
|
119
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
120
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
|
121
|
Cc1cc(n(n1)c2[n-]nnn2)C
|
|
|
122
|
c1cnsc1C(=O)N2CC(C2)F
|
|
|
123
|
c1cnnc(n1)c2nccnn2
|
|
|
124
|
c1cc(oc1)COCCC#N
|
|
|
125
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
126
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
|
127
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
|
128
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
129
|
CCCCC#CC(=O)OCC
|
|
|
130
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
|
131
|
|
|
|
132
|
CC1CCC(CC1)[C@@H]2C(=N2)C(=O)OC
|
|
|
133
|
CCOC(=O)COCCC=C
|
|
|
134
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
135
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
|
136
|
c1cc(n[nH]c1=O)NC2CC2
|
|
|
137
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
138
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
139
|
Cc1ccc(o1)SCc2ccco2
|
|
|
140
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
|
141
|
CCC/N=c/1c(c(c1=N/CCC)O)O
|
|
|
142
|
|
|
|
143
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
|
144
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
145
|
CCOC1=CC(=O)N(C1)CC#C
|
|
|
146
|
CCOC(=O)c1nc(on1)C
|
|
|
147
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
148
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
149
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
150
|
CCS(=O)(=O)Nc1ccn(n1)C
|
|
|
151
|
CCCCCCC1CN[NH]N1
|
|
|
152
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
153
|
c1cc(oc1)c2nc(on2)CO
|
|
|
154
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
|
155
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
156
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
157
|
CCCC(=O)OCOC(=O)/C=C(C)/N
|
|
|
158
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
|
159
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
|
160
|
CCOc1c(nc(o1)C#N)C
|
|
|
161
|
C=CCCOCOCCC=C
|
|
|
162
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
|
163
|
CC(=CCC/C(=C/Cn1ccnc1)/C)C
|
|
|
164
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
165
|
c1ccc(cc1)c2nc(cc(=O)o2)[O-]
|
|
|
166
|
CC1NC(ON1)CC2CCCS2
|
|
|
167
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
168
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
|
169
|
c1cc(oc1)c2nnc(s2)N
|
|
|
170
|
CCOCCOCOCC=C
|
|
|
171
|
|
|
|
172
|
CCCCCC(=O)OCC#C
|
|
|
173
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
174
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
|
175
|
CCCCN/C(=CC1=NCCC1)/C
|
|
|
176
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
|
177
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
178
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
179
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
|
180
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
181
|
Cc1cc(=O)n2c(n1)sc(n2)n3cnc(n3)C#N
|
|
|
182
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
183
|
c1cocc1c2nc([nH]n2)N
|
|
|
184
|
COC1=CC(=O)O[C@@H](C1)C2CCCO2
|
|
|
185
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
|
186
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
187
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
188
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
189
|
C=CCNC(=O)n1ccnc1
|
|
|
190
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
191
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
192
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
193
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
|
194
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
195
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
196
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
197
|
Cc1cnc(o1)c2ccccc2
|
|
|
198
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
199
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
200
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
|
201
|
C/C=C/[C@@H]1OC[C@H](O1)c2ccccc2
|
|
|
202
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
|
203
|
Cc1nn2cc(nc2s1)NC(=O)OC
|
|
|
204
|
c1cc2c(nc1C#N)CCCN2
|
|
|
205
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
|
206
|
Cc1c2cnsc2n(n1)c3ccccc3
|
|
|
207
|
Cc1cn2c(n1)-c3ccccc3C2
|
|
|
208
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
209
|
Cc1cc(nc(n1)c2ccco2)Cl
|
|
|
210
|
C(COCCOCCO)O
|
|
|
211
|
c1cn(cn1)C(=O)OCC#N
|
|
|
212
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
|
213
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
|
214
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
215
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
216
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
|
217
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
218
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
219
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
|
220
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
221
|
C(CCCC#N)CCCC#N
|
|
|
222
|
[H]/N=c/n(nc(s1)C(=O)C)c2ccccc2
|
|
|
223
|
c1cc(oc1)c2csc(n2)CC#N
|
|
|
224
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
225
|
COc1cccc(n1)[C@H]2CCC(=O)NC2
|
|
|
226
|
c1cn[nH]c1NC(=O)CC#N
|
|
|
227
|
COC1=NC2=NCCN2C(=N1)OC
|
|
|
228
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
229
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
230
|
COC(=O)c1ccc(o1)C#N
|
|
|
231
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
|
232
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
|
233
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
234
|
CCOC(=O)C[C@@H](CF)O
|
|
|
235
|
CCCOSOCCC
|
|
|
236
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
237
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
238
|
CCC/C=C/COC(=O)N(C)C
|
|
|
239
|
Cc1nc(cs1)c2cc(no2)CO
|
|
|
240
|
CCC(=O)N/C=C/c1ccccc1
|
|
|
241
|
Cc1c(non1)c2ccn[nH]2
|
|
|
242
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
243
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
244
|
C=CCNC1CCNC(N1)N
|
|
|
245
|
Cc1nc(cn1C(=O)C)NC(=O)C
|
|
|
246
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
247
|
CC(C)NC(=O)CSc1nnns1
|
|
|
248
|
c1ccc2c(c1)nn(n2)C3=CC(=O)N=[NH+]3
|
|
|
249
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
250
|
CCC#CC(OCC)OCC
|
|
|
251
|
|
|
|
252
|
CC(C)C(=O)Nc1nc[nH]n1
|
|
|
253
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
254
|
CCOc1nc(sn1)OCC
|
|
|
255
|
c1cc(oc1)/C=C/c2ccco2
|
|
|
256
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
|
257
|
c1ccc(cc1)c2ncc(o2)C3=NCCO3
|
|
|
258
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
|
259
|
CCC(=O)Nc1ncccn1
|
|
|
260
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
261
|
Cc1nc(on1)CNC(=O)C
|
|
|
262
|
CC(=CCC/C(=C/CO)/C)C
|
|
|
263
|
Cc1cc(=O)n2ccc3c(c2n1)oc(n3)C
|
|
|
264
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
265
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
|
266
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
|
267
|
Cn1c2c(cn1)nc([nH]2)c3ccccc3
|
|
|
268
|
c1c2c(nc(n1)N)CCOC2
|
|
|
269
|
COC(=O)c1cc2c(s1)c(n[nH]2)N
|
|
|
270
|
CCCCC#CC#CCN(C)C
|
|
|
271
|
Cn1c2ccccc2nc1Nc3c(=O)[nH]c(=O)[nH]n3
|
|
|
272
|
Cc1cc2nc(cc(=O)n2o1)Cl
|
|
|
273
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
|
274
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
275
|
c1nc(nn1CC(=O)N)C#N
|
|
|
276
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
277
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
278
|
Cc1cccc(n1)n2ccnc2
|
|
|
279
|
|
|
|
280
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
|
281
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
282
|
Cn1c2c(cn1)c(ncn2)n3cccn3
|
|
|
283
|
C1CC(OC1)CNC2=NCCO2
|
|
|
284
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
|
285
|
COC(=O)c1c(cc(s1)n2cccn2)O
|
|
|
286
|
c1c2c(n3c(n1)ncn3)CCC2
|
|
|
287
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
288
|
CCCc1nc2c(o1)cccn2
|
|
|
289
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
|
290
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
291
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
292
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
293
|
c1ccc(cc1)C2=NCC(=O)O2
|
|
|
294
|
c1nc(c(n1CCO)N)C#N
|
|
|
295
|
Cc1cc2nc(nc(n2n1)N)N
|
|
|
296
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
|
|
|
297
|
COc1cnc(o1)C(=O)OC
|
|
|
298
|
CCc1nc(c(o1)C)SC
|
|
|
299
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
|
300
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
|
301
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
302
|
C[C@@H]1C(=NC(=NC1=O)c2ccccc2)C(=O)[O-]
|
|
|
303
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
304
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
305
|
CNc1nnc(s1)c2cnccn2
|
|
|
306
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
307
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
308
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
309
|
c1con2c1nc(c2)C(=O)[O-]
|
|
|
310
|
c1ccc(cc1)n2c3ccsc3cn2
|
|
|
311
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
|
312
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
313
|
COC(=O)NCNC(=O)OC
|
|
|
314
|
|
|
|
315
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
316
|
Cc1nc(no1)Br
|
|
|
317
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
318
|
Cc1csc(n1)c2c(non2)N
|
|
|
319
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
|
320
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
|
321
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
322
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
|
323
|
CC(=O)NC1=NC(=O)CN1C
|
|
|
324
|
Cc1nnc(o1)SCC#C
|
|
|
325
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
|
326
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
327
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
|
328
|
C=CCc1nc(c2n1cccc2)N3CCOC3=O
|
|
|
329
|
CCC/C=C/c1ccc(s1)C
|
|
|
330
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
331
|
Cc1cc(nn1C)c2nnc(s2)NC
|
|
|
332
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
333
|
[H]/N=c/1onc(s1)c2c(non2)N
|
|
|
334
|
Cc1nnc2n1nc(s2)C
|
|
|
335
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
336
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
|
337
|
Cc1cc(n(n1)C2=NCCN2)C
|
|
|
338
|
Cc1cnc(o1)COc2ccccc2
|
|
|
339
|
C1CCC(C1)C(=O)Nc2[n-]nnn2
|
|
|
340
|
CSC1NCCC(N1)C#N
|
|
|
341
|
COc1c2c([nH]n1)nncn2
|
|
|
342
|
c1nc(no1)c2c(non2)N
|
|
|
343
|
Cn1cc(cn1)c2nnc(o2)SC
|
|
|
344
|
CCOC(=O)N/C=CNC(=O)OCC
|
|
|
345
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
|
346
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
|
347
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
348
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
349
|
CCOC(=O)c1c([nH]c(=O)[nH]1)C
|
|
|
350
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
351
|
c1cnccc1c2nnc3n2CCC3
|
|
|
352
|
Cc1nc(c(o1)N(C)C)C#N
|
|
|
353
|
CS(=O)(=O)Nc1cccn2c1ncn2
|
|
|
354
|
CC(=O)OC/C=C/c1cccnc1
|
|
|
355
|
CC(C)c1nc([nH]n1)CC#N
|
|
|
356
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
|
357
|
c1ccc(cc1)C#CC#CC#N
|
|
|
358
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
359
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
360
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
|
361
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
362
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
|
363
|
|
|
|
364
|
Cc1nc(cs1)c2ccc[nH]2
|
|
|
365
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
|
366
|
CC(=O)Nc1ccc(o1)C(=O)[O-]
|
|
|
367
|
c1c(cnc(c1Br)NC2=NCCN2)Br
|
|
|
368
|
CCC(=O)C#Cc1ccccc1
|
|
|
369
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
370
|
CC(=O)NC1NCNC(N1)N
|
|
|
371
|
C(CC#CC#CCCCO)CO
|
|
|
372
|
c1nnc(s1)NCCC#N
|
|
|
373
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
374
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
375
|
Cc1cc(=O)n2ccccc2n1
|
|
|
376
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
377
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
378
|
c1nncn1NC(=O)CC#N
|
|
|
379
|
Cc1cn2c(csc2n1)C
|
|
|
380
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
381
|
c1ccc(cc1)c2nccnn2
|
|
|
382
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
383
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
384
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
385
|
C=CCSc1ccsc1
|
|
|
386
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
387
|
C#CCNCc1cccs1
|
|
|
388
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
|
389
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
|
390
|
Cc1nc(co1)C#Cc2cccnc2
|
|
|
391
|
Cc1cnc(o1)Cn2cccn2
|
|
|
392
|
CC(=O)O/C=C/c1ccccc1
|
|
|
393
|
c1c(c2ncnc(n2n1)[O-])C#N
|
|
|
394
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
395
|
c1cnn2c1nc(cc2)Cl
|
|
|
396
|
C1CC(CCC=C1)CCC(=O)N
|
|
|
397
|
CCOC(=O)Nc1c(n[nH]n1)Cl
|
|
|
398
|
c1cc(cc(c1)OCc2cscn2)N
|
|
|
399
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
|
400
|
c1ccc(cc1)/C=C/c2csnn2
|
|
|
401
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
402
|
C=CCOc1cccnc1N
|
|
|
403
|
Cc1[nH]cc(n1)c2ccccc2
|
|
|
404
|
CCOc1cc(c(o1)C)c2ccccc2
|
|
|
405
|
c1ccc(cc1)n2c(=O)cccn2
|
|
|
406
|
Cc1cc(n(n1)C(=O)OC)C
|
|
|
407
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
408
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
|
409
|
Cn1cnnc1SCC#C
|
|
|
410
|
C1CCC(CC1)[C@@H]2CCC(=O)N2
|
|
|
411
|
CCOC(=O)C=C1NCCN1
|
|
|
412
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
413
|
Cc1nc(c2cccn2n1)Cl
|
|
|
414
|
CCC(=O)Nc1nnn(n1)C
|
|
|
415
|
Cc1nnc(s1)NC2=NCCO2
|
|
|
416
|
|
|
|
417
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
|
418
|
Cc1nc(cs1)c2nc(cs2)C(=O)C
|
|
|
419
|
COc1cc(=O)nc(o1)c2ccco2
|
|
|
420
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
|
421
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
422
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
|
423
|
C1CCC(CC1)[C@@H]2CC(=O)OC2
|
|
|
424
|
COC(=O)C1=NC(=CC(=O)C1)C(=O)OC
|
|
|
425
|
c1csc(n1)C(=O)CC#N
|
|
|
426
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
427
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
428
|
c1c(nc(cn1)Cl)n2cncn2
|
|
|
429
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
|
430
|
c1cnn(c1)CCSc2nncs2
|
|
|
431
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
|
432
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
|
433
|
CCCCN(CCCC)CC#C
|
|
|
434
|
CC1=CC(=Nn2c(nnn2)N1)C
|
|
|
435
|
CS(=O)(=O)NCc1ccccn1
|
|
|
436
|
Cc1[n-]nc(n1)C(F)(F)F
|
|
|
437
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
438
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
439
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
440
|
c1ccc(cc1)CNc2c(non2)O
|
|
|
441
|
CCn1c(nn(c1=O)C)C(=O)[O-]
|
|
|
442
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
443
|
c1ccc(cc1)c2nc(sn2)n3ccc(n3)C(F)(F)F
|
|
|
444
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
445
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
446
|
CNc1nc(ns1)c2cccs2
|
|
|
447
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
448
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
|
449
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
450
|
c1cc(nn2c1ncc2)Cl
|
|
|
451
|
c1ccc(cc1)CCn2cnnn2
|
|
|
452
|
c1ccc(cc1)c2c3c(on2)CCNC3
|
|
|
453
|
CCC(=O)Cc1cnccn1
|
|
|
454
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
455
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
456
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
457
|
CNC(=O)N/C=C/c1ccco1
|
|
|
458
|
C1COC(N1)NC2CCCCC2
|
|
|
459
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
|
460
|
c1ccc2c(c1)OC(=Cc3ccco3)O2
|
|
|
461
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
462
|
Cn1c(=O)n(oc1=O)c2ccccc2
|
|
|
463
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
|
464
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
465
|
CCNC(=O)n1c(nnn1)N
|
|
|
466
|
Cc1c2c(nc(s2)C#N)n(n1)C
|
|
|
467
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
468
|
CC(C)(C)Nc1[n-]c(c(n1)C#N)C#N
|
|
|
469
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
470
|
CCOC(=O)Nc1csnn1
|
|
|
471
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
472
|
Cc1ccc(cc1)N2CCCOC2=O
|
|
|
473
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
474
|
c1ccc2c(c1)nn(n2)c3cc(n[nH]3)O
|
|
|
475
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
|
476
|
COC(=O)n1c(=O)c2ccccc2c(n1)OC(=O)OC
|
|
|
477
|
Cc1cc(n2c(n1)nnn2)[O-]
|
|
|
478
|
CC#CCC/C=C(/C)CCO
|
|
|
479
|
C1CCC(=C(C#N)C#N)NCC1
|
|
|
480
|
C#Cc1c(cc(cn1)Cl)N
|
|
|
481
|
c1cnc2c(n1)C(=O)NCN2
|
|
|
482
|
CSc1nccc(n1)c2cnoc2
|
|
|
483
|
CNC(=O)OCC(F)(F)F
|
|
|
484
|
c1cc(ccc1CC2=CCC2)Br
|
|
|
485
|
c1csc(n1)n2cnnn2
|
|
|
486
|
Cc1[nH]nc(n1)c2ccccc2
|
|
|
487
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
|
488
|
c1ccc2c(c1)nc(o2)c3c[nH]nc3
|
|
|
489
|
CS(=O)(=O)Nc1ccccn1
|
|
|
490
|
c1cc(sc1)c2c(n[n-]n2)C#N
|
|
|
491
|
Cn1cc(cn1)NC(=O)c2cncn2c3ccccc3
|
|
|
492
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
|
493
|
CN(C)C1N/C(=[NH+]/CC2CCCO2)/SS1
|
|
|
494
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
|
495
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
496
|
c1c[nH]nc1C(=O)NC2CC2
|
|
|
497
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
498
|
c1cc(oc1)c2nccs2
|
|
|
499
|
Cc1ccc(s1)Nc2ccccc2
|
|
|
500
|
Cc1c2c(cc([o+]1)c3ccccc3)CCC2
|
|
|
501
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
|
502
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
|
503
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
|
504
|
c1ccc(cc1)NCc2ccco2
|
|
|
505
|
c1cc(oc1)c2cc(no2)CO
|
|
|
506
|
c1ccnc(c1)SCc2ccco2
|
|
|
507
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
508
|
CCCCC#C[C@@H]1CCCO1
|
|
|
509
|
CCNC(=O)C#CC(=O)NCC
|
|
|
510
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
511
|
Cc1nc(co1)/C=C(C)/CO
|
|
|
512
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
513
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
514
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
515
|
C=CCNC(=O)c1ccco1
|
|
|
516
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
|
517
|
Cc1cc(=O)n([nH]1)c2[n-]nnn2
|
|
|
518
|
c1ccc(cc1)Cn2cncn2
|
|
|
519
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
520
|
c1cc(oc1)CNn2cnnc2
|
|
|
521
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
|
522
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
|
523
|
CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1
|
|
|
524
|
COC(=O)C#CBr
|
|
|
525
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
526
|
c1ccc(cc1)OCc2ccco2
|
|
|
527
|
Cn1c(=O)c2c(c3ccccc3[nH]2)nn1
|
|
|
528
|
Cc1ccnc(n1)n2cccc2
|
|
|
529
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
530
|
C1CCC2=C(C1)C3=NC(=O)CN3C(=O)N2
|
|
|
531
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
|
532
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
533
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
534
|
CCOC(=O)Cc1coc(n1)C
|
|
|
535
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
|
536
|
Cc1c(c2nnnn2c(n1)c3ccccn3)Cl
|
|
|
537
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
538
|
COC(=O)n1c(=O)c2ccccc2o1
|
|
|
539
|
c1cc(oc1)c2c(n[n-]n2)C#N
|
|
|
540
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
|
541
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
|
542
|
c1ccn(c1)c2ccsc2CO
|
|
|
543
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
544
|
COC(=O)CC1=NCCOC1=O
|
|
|
545
|
CCOC(=O)c1c(onn1)C
|
|
|
546
|
CCOC(=O)c1nccnn1
|
|
|
547
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
|
548
|
Cn1c(ccn1)c2nnc(o2)N
|
|
|
549
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
550
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
551
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
552
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
|
553
|
c1ccc(cc1)c2cc(=O)c2=O
|
|
|
554
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
|
555
|
Cc1cc(n(n1)C(=O)c2cc(on2)C)C
|
|
|
556
|
c12c([nH]c(=O)nc1nc([nH]2)Br)[O-]
|
|
|
557
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
|
558
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
|
559
|
C(CNCC(F)(F)F)C#N
|
|
|
560
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
561
|
COc1nc(nc(n1)OC)Nc2nccs2
|
|
|
562
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
|
563
|
Cc1c(cco1)/C=C/C=C(C)C
|
|
|
564
|
Cn1cc(cn1)c2cnccn2
|
|
|
565
|
CCCCC1C(OC(N1)C)CC=C
|
|
|
566
|
COC(=O)/C=c/c(=O)n2c(s1)ncn2
|
|
|
567
|
c1cc(oc1)CSc2nccs2
|
|
|
568
|
c1ccc(cc1)CNc2cnccn2
|
|
|
569
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
570
|
c1cc(nc2c1CNCC2)Cl
|
|
|
571
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
|
572
|
C1CCn2c(nnc2CC#N)C1
|
|
|
573
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
|
574
|