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Virtual screening for IDP 3P54 - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
|
2
|
c1coc2c1c(=O)[nH]nc2[O-]
|
|
|
3
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
4
|
CNC(=O)c1c2c(c(=O)oc1N)nns2
|
|
|
5
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
|
6
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
7
|
C1CC2C(NC1)CC[C@@H](O2)O
|
|
|
8
|
CCSC1C2C(CN[NH]2)NCN1
|
|
|
9
|
c1csc2c1ncnc2N
|
|
|
10
|
c1cc(=O)oc2c1c3cc[nH]c3cc2
|
|
|
11
|
c1c(=O)nc2n(n1)C(=O)CS2
|
|
|
12
|
C1C2C(NC(N1)[O-])SNN2
|
|
|
13
|
CN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)NC1=O)O
|
|
|
14
|
c1c2n(nn1)CCn3c(cnn3)S2
|
|
|
15
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
16
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
17
|
Cc1c2c(ncnc2on1)N
|
|
|
18
|
c12c(c(n[nH]c1=O)[O-])non2
|
|
|
19
|
Cc1c2cc3c(nc2on1)C(=O)OCC3
|
|
|
20
|
C(#N)c1c(c2c(nc1N)non2)N
|
|
|
21
|
|
|
|
22
|
c1c2nnnn2c(cn1)Cl
|
|
|
23
|
c1cc(nc2c1NC(=O)C2)F
|
|
|
24
|
c1cnn2c1N[C@H](CC2=O)CO
|
|
|
25
|
c1nc(c2c(ncn2n1)C#N)[O-]
|
|
|
26
|
C1c2nnnn2Cc3n1nnn3
|
|
|
27
|
CC1C2C(NCN1)S[C@@H](CC2)O
|
|
|
28
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
29
|
Cc1c2sc(n1)NC(=O)N2
|
|
|
30
|
C[C@@H](c1cccnc1)C(=O)[O-]
|
|
|
31
|
c1csc2c1NCCNC2=O
|
|
|
32
|
|
|
|
33
|
|
|
|
34
|
c1c(c(c(c(n1)F)F)F)F
|
|
|
35
|
c1ccnc(c1)[S@@](=O)c2cncs2
|
|
|
36
|
c1csc2c1C(=O)NCCS2
|
|
|
37
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
|
38
|
c1nnc2n1NC(=O)CCS2
|
|
|
39
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
40
|
c1csc2c1ncnc2n3ccnc3
|
|
|
41
|
C#CCn1cnc2c1cccc2
|
|
|
42
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
43
|
CN1CC2C(N1)CNN(C2=O)C
|
|
|
44
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
45
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
46
|
CC1CC(=O)C(CC(=O)[NH]1)CL
|
|
|
47
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
|
48
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
49
|
C1NC-2C3NN[N-]N3CNC2N1
|
|
|
50
|
c1cn2c(n1)SC[C@@H](C2)O
|
|
|
51
|
c1cnc2c(n1)c(cs2)N
|
|
|
52
|
c1cc(n2c1c(ncn2)N)Br
|
|
|
53
|
C=CCOc1cccnc1N
|
|
|
54
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
|
55
|
c1cc2c(c(c1)F)ncnc2n3ccnc3
|
|
|
56
|
Cc1cc(c(nn1)N)C(=O)N
|
|
|
57
|
CN1CC=NC2C1NC([NH]C2=O)N
|
|
|
58
|
c1cc2c(nc1)sc(=O)o2
|
|
|
59
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
|
60
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
|
61
|
c1csc(n1)C(=O)CC#N
|
|
|
62
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
63
|
CC(=O)NC1NCNC(N1)N
|
|
|
64
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
65
|
CCOC(=O)[C@@H](C#N)C1=NCCC1
|
|
|
66
|
C[C@@H]1Cc2c3c(cccc3N1)ncn2
|
|
|
67
|
Cc1c2cccnc2sn1
|
|
|
68
|
C1CCC2C(C1)-C3CCCNC3S2(=O)=O
|
|
|
69
|
COc1c2cn[nH]c2ncn1
|
|
|
70
|
CCSC1NC(CS1)C
|
|
|
71
|
c1c(nc2nncn2c1[O-])[O-]
|
|
|
72
|
COC(=O)c1cccc2n1ncn2
|
|
|
73
|
|
|
|
74
|
COC1NCC(C(N1)[O-])C#N
|
|
|
75
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
|
76
|
CC1(C(=N1)N(C)C2CCCCC2)C
|
|
|
77
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
|
78
|
C1Cn2c(nnc2SC1)N
|
|
|
79
|
c1cnc2c(n1)C(=O)NCN2
|
|
|
80
|
|
|
|
81
|
CC1=C[C@@H]2c3c(non3)C=CC2=N1
|
|
|
82
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
83
|
c1csc2c1c(ncn2)n3ccnc3
|
|
|
84
|
CCOC(=O)[C@@H]1CC=C(C1)C
|
|
|
85
|
c1cncc2c1sc(n2)Cl
|
|
|
86
|
c1ccc2c(c1)nnn2CF
|
|
|
87
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
|
88
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
|
89
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
90
|
c1coc2c1C(=O)NCCC2
|
|
|
91
|
c1coc2c1cc(cc2O)F
|
|
|
92
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
|
93
|
c1ccc-2c(c1)CCCn3c2nnn3
|
|
|
94
|
c1ccc2c(c1)C(=NS2(=O)=O)[O-]
|
|
|
95
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
|
96
|
C=CC[C@@H]1CCCCC(=O)N1
|
|
|
97
|
CCn1c(ccn1)C(=O)n2ccnc2C
|
|
|
98
|
CC1NC2C(NCNC2NN1)N
|
|
|
99
|
Cc1c(n2c(ncn2)nn1)[O-]
|
|
|
100
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
101
|
c1cc2c(c3c1nncc3)non2
|
|
|
102
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
|
103
|
c1cc2c(c(c1N)N)non2
|
|
|
104
|
Cc1c2cnnc(c2c([nH]1)C)[O-]
|
|
|
105
|
c1cnccc1CSc2nncs2
|
|
|
106
|
Cn1c(ncn1)C(=O)C2CC2
|
|
|
107
|
Cc1c(scn1)OC(=O)C
|
|
|
108
|
c1cc(oc1)CSc2nccs2
|
|
|
109
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
110
|
Cc1nc2c(o1)CCc3ccccc3[C@@H]2O
|
|
|
111
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
112
|
c1cc2c(nc1)OCC(=O)N2
|
|
|
113
|
Cn1c(c(c2c(c1=O)nns2)C#N)N
|
|
|
114
|
c1cc2c(c(c1)Cl)nccn2
|
|
|
115
|
|
|
|
116
|
Cn1c2c(cn1)nc[nH]c2=O
|
|
|
117
|
CC1=Nc2c(cnn2C)C(=O)CC1
|
|
|
118
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
119
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
|
120
|
c1c2cc(nc(c2c(nc1O)O)O)O
|
|
|
121
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
122
|
CCCc1c(snn1)CC
|
|
|
123
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
|
124
|
C1S(=O)(=O)NC(=O)NS1(=O)=O
|
|
|
125
|
c1c(n2c(n1)CCC2)C(=O)[O-]
|
|
|
126
|
c1cc(c2c(c1O)[C@@H]3CC[C@H]2C=C3)O
|
|
|
127
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
128
|
c1ccc(cc1)SN2CCCCCC2=O
|
|
|
129
|
c1nc2n(n1)C[C@@H](CS2)O
|
|
|
130
|
CCOC(=O)C1=NOC(=O)[C@H]1C
|
|
|
131
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
|
132
|
c1cc2c(cc1F)C(=O)NC2
|
|
|
133
|
CCCn1c(ccn1)C2CC2
|
|
|
134
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
135
|
C1CC2N(C1)[C@@H](OC2=O)C3CCCO3
|
|
|
136
|
Cc1c(non1)c2[n-]nnn2
|
|
|
137
|
c1c[nH]c(=O)c2c1scc2
|
|
|
138
|
C1C[C@@H]2C(=O)NCC(=O)N2C1
|
|
|
139
|
c1cn2c(=O)cc([nH]c2n1)[O-]
|
|
|
140
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
141
|
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
|
|
|
142
|
c1ccc2c(c1)CS(=O)(=O)NC2=O
|
|
|
143
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
144
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
|
145
|
COC1=CC(=O)O[C@@H](C1)C2CCCO2
|
|
|
146
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
147
|
c1cc2c(c(c1)S(=O)(=O)N)non2
|
|
|
148
|
c1cc2c(nc1)nsc2Br
|
|
|
149
|
Cc1nc2cccc3c2n1CCN3
|
|
|
150
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
151
|
C1CCC2C(C1)C(NO2)C[S@@](=N)(=O)[O-]
|
|
|
152
|
C1NC2C(C(N1)N)NCNC2N
|
|
|
153
|
c1cc(sc1)S(=O)(=O)n2cccn2
|
|
|
154
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
|
155
|
c1nc2c(s1)c(=O)[nH][nH]c2=O
|
|
|
156
|
c1cc2nccn2c(c1)Cl
|
|
|
157
|
COc1c2c(ncn1)SCC(=N2)N
|
|
|
158
|
c1conc1c2c(nco2)C(=O)[O-]
|
|
|
159
|
c1cc2cc(sc2nc1)CO
|
|
|
160
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
|
161
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
162
|
|
|
|
163
|
c1ccc(cc1)CNn2cnnn2
|
|
|
164
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
|
165
|
c1cc(c2c(c1)non2)CO
|
|
|
166
|
CC(=O)n1c(ncn1)SC
|
|
|
167
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
|
168
|
C1C[C@H]2C=C[C@@H]1[C@@H]([C@H]2C#N)C#N
|
|
|
169
|
CC1(CCCC2C1NOC2)C
|
|
|
170
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
171
|
CC1NNC2N1CC[NH]C2=O
|
|
|
172
|
C1NC2C(C(N1)N)NC(=O)C2
|
|
|
173
|
c1c[nH]c2c1c(ncc2)Cl
|
|
|
174
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
175
|
c1c(c2c(s1)nns2)C#N
|
|
|
176
|
c1cnc(=O)n2c1SCC2=O
|
|
|
177
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
178
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
|
179
|
c1cc2cccc3c2c(c1)OS3(=O)=O
|
|
|
180
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
181
|
c1cncc2c1nc(o2)Cl
|
|
|
182
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
183
|
Cc1nc(c2cccn2n1)Cl
|
|
|
184
|
c1nnc2n1NC(=O)CS2
|
|
|
185
|
C[C@@H](Cc1ccco1)NS(=O)(=O)C
|
|
|
186
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
187
|
Cc1nc2c(ncnc2o1)N
|
|
|
188
|
|
|
|
189
|
CC1=CNC(=O)CC(C1)(C)C
|
|
|
190
|
c1ccc2c(c1)[C@@H](NCCO2)c3cccs3
|
|
|
191
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
192
|
CC1([C@@H]2CC[C@H]1[C@@H]3[C@@H]2CS(=O)(=O)N3)C
|
|
|
193
|
c1cc2c(c(c1)F)c(no2)N
|
|
|
194
|
c1cnn2c1ncc3c2C(=O)OCC3
|
|
|
195
|
C[C@@H]1CN2C(=O)CCNC2S1
|
|
|
196
|
CC(=O)c1cc(cnc1)OC
|
|
|
197
|
c1cc(c2c(c1)ncs2)N
|
|
|
198
|
c1cc2c([nH]nc2Cl)nc1
|
|
|
199
|
CSc1c(c([nH]n1)N)C#N
|
|
|
200
|
c1ccc2c(c1)C=CS2(=O)=O
|
|
|
201
|
CC1=NS(=O)(=O)c2ccccc2N1
|
|
|
202
|
c1c(c2c(nncn2n1)[O-])Cl
|
|
|
203
|
Cc1[nH]c(=O)c2c(n1)CCC2
|
|
|
204
|
COC(=O)[C@@H]1CC2CNCN2C(=O)N1
|
|
|
205
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
206
|
c1ccc2c(c1)CC(=O)c3cccn3C2
|
|
|
207
|
Cc1c2c(ccn1)N=CN[C@@]2(C(F)(F)F)O
|
|
|
208
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
209
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
|
210
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
211
|
|
|
|
212
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
|
213
|
CSc1nnc2n1[nH]cn2
|
|
|
214
|
c1cc2c(cc1F)c3c(cn2)nco3
|
|
|
215
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
216
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
|
217
|
C1CC2N3C1CCC4CCC(N4CC3)CC2
|
|
|
218
|
Cc1coc2c1c(=O)[nH]cn2
|
|
|
219
|
c1ccc(cc1)Cn2ccnn2
|
|
|
220
|
Cc1c2c(=O)ccsc2c([nH]1)C
|
|
|
221
|
C=CCNC1CCNC(N1)N
|
|
|
222
|
C1=CC=CC(C=C1)NC(=O)N
|
|
|
223
|
CCOC(=O)c1cccnn1
|
|
|
224
|
c1ccc(cc1)Cn2cccn2
|
|
|
225
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
226
|
Cn1cnc2c1ncc(c2)C#N
|
|
|
227
|
CC1=CC(=NS(=O)(=O)N1)C
|
|
|
228
|
c1cc(cnc1)CS(=O)(=O)N
|
|
|
229
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
230
|
COC(=O)[C@@H]1CCC(=O)c2n1ccc2
|
|
|
231
|
C1CNNCC1CCC(=O)[O-]
|
|
|
232
|
Cc1cc(nc2c1c(on2)N)C
|
|
|
233
|
c1c(=O)nc2n3c1NC(=O)C[C@@]3(CS2)O
|
|
|
234
|
CC(C)(C)C(=O)n1ccnc1
|
|
|
235
|
c1cc(c2c(c1)oc(=O)s2)O
|
|
|
236
|
CC(C)[C@@H]1n2cccc2C(=O)O1
|
|
|
237
|
c1c(c(on1)N2CCOCC2)C#N
|
|
|
238
|
CN(C)c1nc(=O)n2c(n1)OCC2
|
|
|
239
|
c1cnc2n(c1=O)ccs2
|
|
|
240
|
C1CCn2c(nnc2CC#N)C1
|
|
|
241
|
Cc1cc2c(cn1)C(=O)OCC2
|
|
|
242
|
c1cc(nn2c1ncc2)Cl
|
|
|
243
|
CCc1c(nccn1)SC
|
|
|
244
|
CN(C)c1nnnn1c2cccnc2
|
|
|
245
|
Cc1nc(cs1)c2ccc[nH]2
|
|
|
246
|
Cc1cc2n(n1)C(=O)CC(=O)C2
|
|
|
247
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
248
|
c1ccc2c(c1)-c3ccccc3N=CN2
|
|
|
249
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
|
250
|
c1csc2n1c(=O)[nH]c(=O)n2
|
|
|
251
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
252
|
CN1C(NNN1)C(F)(F)F
|
|
|
253
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
|
254
|
Cc1cnc(c(n1)Cl)C#N
|
|
|
255
|
Cn1cccc1CCn2ccnc2
|
|
|
256
|
C1C#C/C=CC#CC[C@@H]([C@@H]1CO)CO
|
|
|
257
|
c1ccc2c(c1)c(=O)c-3nc(=O)nc23
|
|
|
258
|
c1cc2c(c3c1non3)nns2
|
|
|
259
|
c1cc2cccc3c2c(c1)NCN3
|
|
|
260
|
C1C2C(NCN1)SC=C(N2)O
|
|
|
261
|
c1cnc(cn1)Br
|
|
|
262
|
c1cnc(cn1)I
|
|
|
263
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
264
|
COC(=O)[C@]12C(=NC=N1)C=NC=N2
|
|
|
265
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
266
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
267
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
|
268
|
C1CCC(CC1)CON2CCCC2C#N
|
|
|
269
|
Cc1nc2cc([nH]c2s1)C(=O)[O-]
|
|
|
270
|
C=CCNC(=O)c1ccco1
|
|
|
271
|
CSc1[nH]c(=O)c2c(n1)CCS2
|
|
|
272
|
CN1C2CCNC(C2NN1)CL
|
|
|
273
|
c1cc(nc2c1CNCC2)Cl
|
|
|
274
|
C1=N[C@@H]2[C@@H](N1)NC(=NC2=O)[NH-]
|
|
|
275
|
CN1[C@@H]2C=C[C@H](C1=O)C3C2CCCC3
|
|
|
276
|
c1cc2c(cc1c3nccs3)CC=C2
|
|
|
277
|
Cc1cc(=O)n2c3c1ccc(c3OC2)N
|
|
|
278
|
CC(=O)N1CCN2C1CCN2
|
|
|
279
|
c1c2c(nc(n1)N)CCCC2=O
|
|
|
280
|
Cc1c2ccccc2c(=O)on1
|
|
|
281
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
282
|
Cc1nc2n(n1)C(=O)C(=N2)[O-]
|
|
|
283
|
c1cc(cc2c1cc[nH]2)Cl
|
|
|
284
|
C[C@@H](Cc1ccco1)NC(=O)C
|
|
|
285
|
c1cc(oc1)Cn2c(ccn2)N
|
|
|
286
|
CC(=O)Oc1coc2c1cccc2
|
|
|
287
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
|
288
|
C1CCC(CC1)CC2=NCOC2=O
|
|
|
289
|
c1cc2c3c(c1)C(=O)CC3=CCCC2
|
|
|
290
|
Cc1c(c(n[nH]1)C)NC(=O)C
|
|
|
291
|
CC1(NC(=O)[C@@]2(O1)C[C@@H](C=C2CO)O)C
|
|
|
292
|
c1cc2c(nc1)NCCC(=O)N2
|
|
|
293
|
CCOC(=O)Cn1nnnn1
|
|
|
294
|
c1ccc(cc1)CCc2cnccn2
|
|
|
295
|
c1cc(cnc1)Br
|
|
|
296
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
297
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
|
298
|
c1cc2cn[nH]c2c(c1)S(=O)(=O)[O-]
|
|
|
299
|
c1ccc-2c(c1)CCNc3c2cccc3
|
|
|
300
|
C[C@@H]1NC(=C2C(=N1)NC[NH]2)C(=O)N
|
|
|
301
|
c1ccc2c(c1)-n3cnnc3CCS2
|
|
|
302
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
|
303
|
CCSc1nncn1Cc2ccco2
|
|
|
304
|
C(#N)C(C(C#N)(F)F)(F)F
|
|
|
305
|
c12c([nH]c(=O)nc1onn2)[O-]
|
|
|
306
|
|
|
|
307
|
|
|
|
308
|
Cc1ccc(n1NC(=O)C)C
|
|
|
309
|
c1cn2c(=O)c3cncnc3sc2n1
|
|
|
310
|
C=C=CCC(=O)N1CCCC1
|
|
|
311
|
C1CN2C(CN1)CNC2CL
|
|
|
312
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
|
313
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
|
314
|
Cc1c2c(c(nnn2)[O-])n[nH]1
|
|
|
315
|
CC1=N[C@@H](C(=NC(C1)(C)C)C#N)C#N
|
|
|
316
|
C1CCC2C(C1)C(=O)OCCS2
|
|
|
317
|
c1cc2cccc3c2c(c1)C(=O)N3
|
|
|
318
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
319
|
C1Cc2c(non2)C(=O)NC1
|
|
|
320
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
|
321
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
|
322
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
323
|
c1ccc2c(c1)C[C@H]([C@@H]2O)O
|
|
|
324
|
CC1(C=CN(C=C1)CCC(=O)OC)C
|
|
|
325
|
Cc1c2ccccc2nc(n1)C
|
|
|
326
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
327
|
c1ccc2c(c1)[S@@](=O)C[S@@]2=O
|
|
|
328
|
Cn1c2c(c(ncn2)[O-])nn1
|
|
|
329
|
Cn1c(ccn1)c2c(snn2)C(=O)[O-]
|
|
|
330
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
331
|
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2[C@H]4CO[C@@H](C3=O)O4
|
|
|
332
|
CN1C=C[C@@H]2[C@@H](C[C@@H]2C1=O)C#N
|
|
|
333
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
334
|
CS(=O)(=O)Nc1cccn2c1ncn2
|
|
|
335
|
c1ccc(cc1)n2cnc(nc2=[NH2+])N
|
|
|
336
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
337
|
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2COC3=O
|
|
|
338
|
CC(=O)NCCn1cccc1
|
|
|
339
|
c1c[nH]c2c1NC(=O)CNC2=O
|
|
|
340
|
Cc1c2c([nH]n1)CCOC(=O)N2
|
|
|
341
|
COC(=O)c1cc(=O)nc(s1)N
|
|
|
342
|
c1cc(oc1)C(=O)c2nccs2
|
|
|
343
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
|
344
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
|
345
|
c1c([nH]nn1)SCC(=O)N
|
|
|
346
|
CC1=Nc2cccc3c2c1ccc3
|
|
|
347
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]3C(=O)[O-]
|
|
|
348
|
Cc1cc(nn2c1nnc2)O
|
|
|
349
|
c1csc2c1C(=O)N[C@@H]3CCCCN3C2
|
|
|
350
|
c1cc2cccc3c2c(c1)C(=O)O3
|
|
|
351
|
c1ccc2c(c1)n3c(o2)[nH+]c(nc3=O)N
|
|
|
352
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
|
353
|
C1CC1N2C[C@@H](CC2=O)CO
|
|
|
354
|
c1cc(oc1)c2ccnc3n2ncc3
|
|
|
355
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
356
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
|
357
|
CC1(O[C@@H]2COC(=O)[C@@H]2O1)C
|
|
|
358
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
|
359
|
|
|
|
360
|
C=CCOc1ccc(cc1)O
|
|
|
361
|
CN(C)C(=O)Sc1cccnc1
|
|
|
362
|
c1ccc2c(c1)-c3c(cn[nH]3)CC(=O)N2
|
|
|
363
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
364
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
365
|
c1cc(oc1)S(=O)(=O)CC#N
|
|
|
366
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
367
|
c1csc-2c1S(=O)(=O)c3c2scc3
|
|
|
368
|
COC(=O)CC1=NCCOC1=O
|
|
|
369
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
370
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
371
|
CC(=CCC/C(=C/CO)/C)C
|
|
|
372
|
CC1CCC2C(C1)NNS2
|
|
|
373
|
C1[C@@H]2N(C1=O)[C@@H](/C(=C/CO)/O2)C(=O)[O-]
|
|
|
374
|
Cc1c(c(sn1)C(=O)[O-])N
|
|
|
375
|
CCOC1=NC(=CC(=C[C@@H]1C)C)C
|
|
|
376
|
CC12CC3CC(C1)CC(C3)C2
|
|
|
377
|
Cc1cc(=O)n2c(n1)CCCCC2
|
|
|
378
|
Cc1cccc(=O)c(c1)OC
|
|
|
379
|
Cc1c(cnc(n1)C)C(=O)C
|
|
|
380
|
C1CCC2C(C1)N[C@@H]3CCN2C3
|
|
|
381
|
c1cc2cccc3c2c(c1)C=C3
|
|
|
382
|
c1c2c(c3c(c1Br)non3)nno2
|
|
|
383
|
CC1=NCCN1S(=O)(=O)c2ccccc2
|
|
|
384
|
C1C2CC3CC1CC(C2)C3=O
|
|
|
385
|
C1[C@@]2([C@]1(C(=O)N=C2N)C#N)C#N
|
|
|
386
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
|
387
|
c1cnn(c1)CC(F)(F)F
|
|
|
388
|
C1=C[C@@]2([C@@H]3[C@@H]([C@H]1O2)C(=NC3=O)[O-])CO
|
|
|
389
|
Cn1c(c(cn1)C#N)n2cccc2
|
|
|
390
|
C[C@@H]1c2nc(nn2[C@](C(=O)O1)(C)CC#C)[C@@H](C)O
|
|
|
391
|
c1ccc2c(c1)C(=O)N=[S@]2(=O)O
|
|
|
392
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
|
393
|
Cc1nc(cn1C(=O)C)NC(=O)C
|
|
|
394
|
CCCSc1c(nns1)C
|
|
|
395
|
Cc1c(c(ns1)SC)C#N
|
|
|
396
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
|
397
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
|
398
|
CCCC1=NCCn2c1ccc2
|
|
|
399
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
400
|
C1COC(=O)[C@@H]1C(F)(F)F
|
|
|
401
|
c1c[nH]c2c1c(cnc2)Cl
|
|
|
402
|
c1nc([nH]n1)c2c(non2)N
|
|
|
403
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
404
|
CCC(=O)Cc1cnccn1
|
|
|
405
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
406
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
407
|
CSC1NCCC(N1)C#N
|
|
|
408
|
Cc1c(cc/c(=NC(=O)C(C)C)/[nH]1)Br
|
|
|
409
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
410
|
C/C=C/c1c2c(on1)C[C@@H](OC2=O)C
|
|
|
411
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
412
|
C[C@@H]1CN([C@@H](C2=C1N=CC2)C)C
|
|
|
413
|
c1ccc2c(c1)c(=O)sc(n2)N
|
|
|
414
|
c1ccc2c(c1)CS(=O)(=O)N=C2N
|
|
|
415
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
|
416
|
c1cnc(c(n1)C#N)n2ccnc2
|
|
|
417
|
Cc1nc(c(s1)c2nc[nH]n2)C(F)(F)F
|
|
|
418
|
CN(C)c1nc(=O)n2c(n1)SCC2
|
|
|
419
|
CN(CCO)c1cnccn1
|
|
|
420
|
CC1=Nc2ccccc2SC1
|
|
|
421
|
Cc1c-2ccocc2oc1=O
|
|
|
422
|
c1cc2cccc3c2c(c1)CC3
|
|
|
423
|
|
|
|
424
|
C1C[C@@]23CC=CC[C@]2(C1)NC3=O
|
|
|
425
|
C1CNC2C3CNC4C(C3NN2C1)CCS4
|
|
|
426
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
427
|
Cc1nc(on1)CNC(=O)C
|
|
|
428
|
CCCOn1c(nnn1)c2ccccc2
|
|
|
429
|
Cc1ccc(o1)SCc2ccco2
|
|
|
430
|
c1nc(nn1CCC#N)N=N=N
|
|
|
431
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
432
|
Cc1cc(=O)cc(o1)C(F)(F)F
|
|
|
433
|
CC(C)(c1cccn1C=C)O
|
|
|
434
|
c1c(cc(c2c1CC=C2)F)F
|
|
|
435
|
c1ccc(cc1)CNc2ncco2
|
|
|
436
|
CCCCC1C(OC(N1)C)CC=C
|
|
|
437
|
CCOc1nc(sn1)OCC
|
|
|
438
|
CCSc1ncnc(n1)N
|
|
|
439
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
|
440
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
441
|
C[C@@]1(C(=N1)N(C)C)C(=O)OC
|
|
|
442
|
CCCc1nc2c(o1)cccn2
|
|
|
443
|
c1ccc2c(c1)Cn3c(cnn3)C=N2
|
|
|
444
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
|
445
|
c1cc(cnc1)c2cccs2
|
|
|
446
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
447
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
|
448
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
|
449
|
c1cc(oc1)CNc2nnns2
|
|
|
450
|
CC(C)(C)C1=CC=Nn2cnnc2S1
|
|
|
451
|
c1cc2c-3c(c1)CCc4n3c(cc4)CC2
|
|
|
452
|
C[C@@H]1CN=C(c2c1cccc2)C
|
|
|
453
|
c1c2c(nc(n1)N)SCC2
|
|
|
454
|
Cc1nc(no1)c2ncon2
|
|
|
455
|
Cc1cc2nc(nc(n2n1)N)N
|
|
|
456
|
c1ccc(cc1)S(=O)(=O)[C@@H]2CC(=O)N2
|
|
|
457
|
CC(=O)N(C)c1cccnc1
|
|
|
458
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
459
|
c1ccc2c(c1)C(=O)OCCO2
|
|
|
460
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
461
|
CN(C)c1nnnn1c2ncccn2
|
|
|
462
|
c1cc(oc1)COCCC#N
|
|
|
463
|
Cc1nnc(o1)CSc2nccn2C
|
|
|
464
|
c1(=O)c(nsnc1Cl)N
|
|
|
465
|
c1ccc2c(c1)NC=CN2CCO
|
|
|
466
|
CC(=O)Nc1c2c(no1)CCC2
|
|
|
467
|
CNc1c2c(nc(n1)N)non2
|
|
|
468
|
Cc1cn2c(csc2n1)C
|
|
|
469
|
c1nnc2n1nc3c(c2[O-])CCC3
|
|
|
470
|
C1CCC2C(C1)[C@@H]3C[C@]2(C=C3)CO
|
|
|
471
|
Cc1c(non1)c2ccn[nH]2
|
|
|
472
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
|
473
|
c1ccc(cc1)S(=O)(=O)N2CCOC2=O
|
|
|
474
|
c1ccc2c(c1)-c3ccccc3[S@@](=O)O2
|
|
|
475
|
C1=C[C@H]2[C@H]3C=C[C@@H]([C@@H]1C(=O)N2)NC3=O
|
|
|
476
|
C[C@@H]1C=C(C=C(NC1=O)C)C
|
|
|
477
|
C[C@@]12C[C@@H](C(=O)C3C1CCCC3)OC2=O
|
|
|
478
|
c1cc2c(c3c1noc3)nco2
|
|
|
479
|
Cc1csc2n1nc(n2)N
|
|
|
480
|
CC1=NS(=O)(=O)NC2=C1CCCC2
|
|
|
481
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
482
|
CCOC(=O)N1CCC(=O)C1
|
|
|
483
|
c1ccc2c(c1)-c3ccccc3S2(=O)=O
|
|
|
484
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
|
485
|
CC1=NS(=O)(=O)N=C(O1)OC
|
|
|
486
|
Cc1cc(n(n1)CCc2nnco2)C
|
|
|
487
|
C1CCC2C(C1)CS2(=O)=O
|
|
|
488
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
489
|
c1cc(sc1)Cc2[n-]nnn2
|
|
|
490
|
c1cnc2c(n1)cc(s2)C(=O)[O-]
|
|
|
491
|
C1=NC2=NC=NC3=NC=NC(=N1)N23
|
|
|
492
|
c1nc(no1)c2c(non2)N
|
|
|
493
|
CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1
|
|
|
494
|
C=CCc1cc2nccn2cn1
|
|
|
495
|
COC(=O)C1=NCC(=O)Nc2c1cccc2
|
|
|
496
|
c1ccc2ccccc(c1)COC2
|
|
|
497
|
C1C2(CN3CC1(CN(C2)C3)Br)Br
|
|
|
498
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
499
|
c1cc2c(c(cs2)N)nc1
|
|
|
500
|
CCC1C(=O)NCCNC1=O
|
|
|
501
|
CC(=O)N1[C@@H](CC=C[C@H]1CC=C)CC=C
|
|
|
502
|
COC(=O)C[C@@H]1Cn2c(ncn2)N=C1O
|
|
|
503
|
C1CC2C3C(CO2)CCCC3C1O
|
|
|
504
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
|
505
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
|
506
|
c1cc2c(cc1O)COC2=O
|
|
|
507
|
c1ccc(cc1)OCCn2ccnc2
|
|
|
508
|
CC1C2C(NC(CN2)CL)ON1
|
|
|
509
|
CC1=C(OC2=NC(=O)C[C@@]12C#N)C
|
|
|
510
|
CC1(CNC(=O)C2=C(O1)C(=O)OC2)C
|
|
|
511
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
512
|
c1cc2c(=O)[nH]c3c(n2c1)ccs3
|
|
|
513
|
C1COCCN1C2C(=O)NC(SN2)N
|
|
|
514
|
Cc1c(n2c(n1)CCCCC2)O
|
|
|
515
|
c1cc2ccc3cccc4c3c2c(c1)C4
|
|
|
516
|
c1[nH]c2c(n1)C(=O)C[NH+]=CN2
|
|
|
517
|
C1C[C@@]2(CC(=O)OC2)CNC1=O
|
|
|
518
|
c1csc2c1[nH]c(=O)oc2=O
|
|
|
519
|
c1ccc2c(c1)C(=O)c3nccn3C2=O
|
|
|
520
|
C/C=C/[C@@H]1CC(=CC(=O)O1)OC
|
|
|
521
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
|
522
|
Cc1ccc(cc1)c2nnco2
|
|
|
523
|
C#Cc1ccc2c(c1)nccn2
|
|
|
524
|
COc1c2c([nH]n1)nncn2
|
|
|
525
|
c1cc(oc1)C(=O)c2cccs2
|
|
|
526
|
Cn1c(nnn1)I
|
|
|
527
|
COC(=O)NC1(OCCO1)C(F)(F)F
|
|
|
528
|
c1cc(=O)oc2c1CCCC2
|
|
|
529
|
c1ncn(n1)CCn2cncn2
|
|
|
530
|
CC1=Nc2c(ncn2N=C(C1)C)C#N
|
|
|
531
|
CC(C)C(=O)c1nccn1C
|
|
|
532
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
|
533
|
CSc1[nH]c2c(cc[nH]2)c(=O)n1
|
|
|
534
|
CC(C)(C)N1C(=O)NCS1(=O)=O
|
|
|
535
|
C1[C@@H]2C[C@@]([C@H]1C=C2)(C#N)Cl
|
|
|
536
|
Cc1c(oc(n1)SCC(=O)[O-])C
|
|
|
537
|
c1ccc2c(c1)-n3ccnc3CO2
|
|
|
538
|
COC(=O)Cc1cccnn1
|
|
|
539
|
CC1C(NON1)C(=O)N(C)C
|
|
|
540
|
COC1(c2c(non2)C(c3c1non3)(OC)OC)OC
|
|
|
541
|
c1csc2c1S(=O)(=O)NC2=O
|
|
|
542
|
|
|
|
543
|
COc1c2c(ncn1)CCNC2
|
|
|
544
|
c1cc2c(nc1)onc2Cl
|
|
|
545
|
C1CC2CCC1COCOC2
|
|
|
546
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
547
|
c1c(snn1)c2csnn2
|
|
|
548
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
549
|
c1cc2c(c(c1)F)CCCN2
|
|
|
550
|
c1ncn(n1)NCNn2cncn2
|
|
|
551
|
CC(=O)c1n[nH]c2n1ncc2
|
|
|
552
|
C[C@@]1([C@@H]2CCCN2C(=O)O1)CO
|
|
|
553
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
554
|
Cc1nnc2n1N=C(CS2)C
|
|
|
555
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]4CCCC[C@@H]4O3
|
|
|
556
|
c1ccc2c(c1)c(cc(=O)[nH]2)N
|
|
|
557
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
|
558
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
559
|
C1CCC2C(C1)-C3C(CNCN3)S(=O)(=O)CO2
|
|
|
560
|
C=C1CCCOc2c1cccc2
|
|
|
561
|
CC1C(CCO1)S(=O)(=O)N
|
|
|
562
|
COC1=NC=CC[C@@]1(F)Br
|
|
|
563
|
c1cc2ccn3c2c(c1)CCC3
|
|
|
564
|
Cc1c(c(=O)[nH]c(n1)[O-])C#N
|
|
|
565
|
c1cc(oc1)c2c(snn2)C(=O)[O-]
|
|
|
566
|
c1cn(cn1)S(=O)(=O)n2ccnc2
|
|
|
567
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
|
568
|
CCNC(=O)[C@@H](C)n1cnnc1C#N
|
|
|
569
|
C1CCC2C(C1)[C@@H]3CC[C@H]2NC3=O
|
|
|
570
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|