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Virtual screening for IDP 3R8X - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
|
2
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
3
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
|
4
|
c1nc(c2c(n1)[nH]c(n2)[O-])N
|
|
|
5
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
6
|
c1cnc(cn1)c2nnc(o2)N
|
|
|
7
|
CCn1c(c(nn1)C(=O)N)N
|
|
|
8
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
9
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
10
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
|
11
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
12
|
c1c[nH]c2c1sc(c2)C(=O)[O-]
|
|
|
13
|
c12c(c(n[nH]c1=O)[O-])non2
|
|
|
14
|
Cc1[nH]c2cc(ccc2n1)F
|
|
|
15
|
Cn1c2c([nH]c1=O)nncn2
|
|
|
16
|
C([C@@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O
|
|
|
17
|
c1c([nH]nn1)SCC(=O)N
|
|
|
18
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
19
|
C1C2C(NC(=O)[NH]1)OCCN2
|
|
|
20
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
21
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
22
|
c1c[nH]nc1c2nccs2
|
|
|
23
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
24
|
c1c2c(cnc1Cl)CCN2
|
|
|
25
|
c1(nnc(s1)C(=O)N)C(=O)N
|
|
|
26
|
c1nc2c(c(n1)O)nnc(n2)N
|
|
|
27
|
c1nc2nc(nc(n2n1)N)[O-]
|
|
|
28
|
c1cc(oc1)c2cc(on2)N
|
|
|
29
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
|
30
|
|
|
|
31
|
c1c2c(nc(n1)N)SCC2
|
|
|
32
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
33
|
c1cocc1c2nc([nH]n2)N
|
|
|
34
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
35
|
Cc1cc(no1)c2nnc(o2)N
|
|
|
36
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
|
37
|
c1csc2n1c(=O)[nH]c(=O)n2
|
|
|
38
|
CN1CC=NC2C1NC([NH]C2=O)N
|
|
|
39
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
40
|
c1cc(c(nc1)c2ccco2)N
|
|
|
41
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
42
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
43
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
44
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
45
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
46
|
c1cc(cnc1)Br
|
|
|
47
|
CC(=O)c1n[nH]c2n1ncc2
|
|
|
48
|
c1c[nH]c2c1cc3c(c2)OCO3
|
|
|
49
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
50
|
c1c(nn2c1OCCC2)CO
|
|
|
51
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
52
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
53
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
|
54
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
55
|
c1nc(c(n1CCO)N)C#N
|
|
|
56
|
c1c2c(nc(n1)N)CCCC2=O
|
|
|
57
|
c1nc([nH]n1)c2c(non2)N
|
|
|
58
|
c1nc(nc2n1c3c(n2)CCC3)N
|
|
|
59
|
Cc1csc(n1)c2nnc(o2)N
|
|
|
60
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
61
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
62
|
CCc1ccc(cn1)SC
|
|
|
63
|
COc1ccc2c(c1)non2
|
|
|
64
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
|
65
|
c1c(nnn1CC(=O)[O-])CO
|
|
|
66
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
67
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
68
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
|
69
|
c1c(nc(o1)N)C(F)(F)F
|
|
|
70
|
c1[nH]c2c(n1)C(=O)C[NH+]=CN2
|
|
|
71
|
C/C(=C/C(=O)[O-])/C(F)(F)F
|
|
|
72
|
|
|
|
73
|
|
|
|
74
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
75
|
Cc1c(n2c(ncn2)nn1)[O-]
|
|
|
76
|
c1(nnc(s1)S(=O)(=O)[NH-])N
|
|
|
77
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
78
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
|
79
|
c1cc2c(nc1)onc2Cl
|
|
|
80
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
|
81
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
82
|
c1cnn2c1c(=O)n(nc2)CC(=O)[O-]
|
|
|
83
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
84
|
C=CCNc1nc(ns1)N
|
|
|
85
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
86
|
CC1=CO[C@@](CC1)(C)C(=O)[O-]
|
|
|
87
|
C1NC2C(C(N1)N)NC(=O)C2
|
|
|
88
|
c1cnn2c1nnc(c2[O-])C#N
|
|
|
89
|
Cc1c(c(=O)[nH]c(n1)[O-])C#N
|
|
|
90
|
c1c(=O)[nH]c2c(n1)CCCC2
|
|
|
91
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
92
|
Cc1coc2c1c(=O)[nH]cn2
|
|
|
93
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
|
94
|
Cc1c(c(n[nH]1)n2ccnc2)N
|
|
|
95
|
c1cnc2c(n1)c(cs2)N
|
|
|
96
|
C(#N)c1c(c2c(nc1N)non2)N
|
|
|
97
|
Cc1c2c(c(nnn2)[O-])n[nH]1
|
|
|
98
|
c1ccc(cc1)NCC(=O)[O-]
|
|
|
99
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
|
100
|
c1cc2c(nc1)SCCN2
|
|
|
101
|
COc1c2cc[nH]c2nc(n1)OC
|
|
|
102
|
c1c(cnc2c1non2)Br
|
|
|
103
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
104
|
c1c2n(nc1C(=O)[O-])CCOC2
|
|
|
105
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
|
106
|
c1csc2c1ncnc2N
|
|
|
107
|
c1c[nH]c2c1c(ncc2)Cl
|
|
|
108
|
Cc1c(c(sn1)C(=O)[O-])N
|
|
|
109
|
Cc1nc2ccccc2c(=O)o1
|
|
|
110
|
Cc1c(c[nH]n1)S(=O)(=O)[O-]
|
|
|
111
|
CCC(=O)Nc1c(non1)N
|
|
|
112
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
113
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
|
114
|
c12c([nH]c(=O)nc1onn2)[O-]
|
|
|
115
|
Cc1nc2cccc3c2n1CCN3
|
|
|
116
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
|
117
|
c1cnc(cn1)Br
|
|
|
118
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
|
119
|
C=CCOC1CCNC(N1)N
|
|
|
120
|
c1cnn(c1)c2nncn2N
|
|
|
121
|
CNc1c2c(nc(n1)N)non2
|
|
|
122
|
|
|
|
123
|
CS(=O)(=O)c1cnccn1
|
|
|
124
|
c1c2c(cc3c1OCO3)nn[nH]2
|
|
|
125
|
C1NC(C2N1CCC(=O)N2)C(=O)N
|
|
|
126
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
127
|
CNc1cnnc2c1cccc2
|
|
|
128
|
Cc1csc2n1nc(n2)N
|
|
|
129
|
C[C@@H]1[C@@H](Nn2c(nnn2)N1)C
|
|
|
130
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
131
|
Cc1ccc(nc1)n2cnnn2
|
|
|
132
|
Cc1c(c(c2ncnn2n1)[O-])Cl
|
|
|
133
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
134
|
Cc1cc2nc(nc(n2n1)N)N
|
|
|
135
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
136
|
c1cc(cnc1)CS(=O)(=O)N
|
|
|
137
|
Cn1cc(nc1)S(=O)(=O)N
|
|
|
138
|
c1c(csn1)Br
|
|
|
139
|
Cn1c(ncn1)C(=O)C2CC2
|
|
|
140
|
c1(nnnn1O)c2nnnn2O
|
|
|
141
|
Cc1nc2c(ncnc2o1)N
|
|
|
142
|
C=CCNc1cn[nH]c(=O)n1
|
|
|
143
|
C1[C@@H](NCC1(F)F)C(=O)N
|
|
|
144
|
C(CS(=O)(=O)N)NC(=O)N
|
|
|
145
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
|
146
|
CSc1nnc2n1[nH]cn2
|
|
|
147
|
Cc1c(non1)c2ccn[nH]2
|
|
|
148
|
Cc1nc2c(s1)ccs2
|
|
|
149
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
150
|
c1c(cn[nH]1)CS(=O)(=O)N
|
|
|
151
|
c1cc2c(nc1)[C@@H](O[C@@H]2O)O
|
|
|
152
|
c1cnc(cn1)I
|
|
|
153
|
c1cc(oc1)c2cc(no2)CO
|
|
|
154
|
c1nc(c2c(n1)scn2)N
|
|
|
155
|
C1CC(C1)c2nc(no2)CO
|
|
|
156
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
|
157
|
CO[C@@H]1CCS(=O)(=O)NC1
|
|
|
158
|
c1cc(nnc1)Br
|
|
|
159
|
c1(=O)c(nsnc1Cl)N
|
|
|
160
|
c1csc2c1[nH]c(=O)oc2=O
|
|
|
161
|
c1cnc(c2c1occ2)Cl
|
|
|
162
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
163
|
c1cc2c(c(c1N)N)non2
|
|
|
164
|
Cc1cc2c(nc1Cl)OCCC2
|
|
|
165
|
Cc1c2sc(n1)NC(=O)N2
|
|
|
166
|
C1C[C@@H](OC1)c2nnc(o2)N
|
|
|
167
|
C1C2CC3CC1OC(O2)(O3)C(=O)N
|
|
|
168
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
169
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
170
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
|
171
|
c1cc2c(nc1)NCCC(=O)N2
|
|
|
172
|
CCC(=O)Cc1cnccn1
|
|
|
173
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
|
174
|
c1(c(non1)N)c2nnc(o2)N
|
|
|
175
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|
|
|
176
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
177
|
CCOc1nc(nc(n1)N)C
|
|
|
178
|
c1c(c2ncnc(n2n1)[O-])C#N
|
|
|
179
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
|
180
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
|
181
|
C(C#N)c1nc(nc(n1)N)N
|
|
|
182
|
c1c(c(c(c(n1)F)F)F)F
|
|
|
183
|
c1cc(nc2c1n[n-]n2)Cl
|
|
|
184
|
C1CN2C(CN1)CNC2CL
|
|
|
185
|
c1c(cnnc1[O-])C(F)(F)F
|
|
|
186
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
|
187
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
|
188
|
CC(=O)NCc1ccccn1
|
|
|
189
|
Cc1[nH]c(cn1)C(F)(F)F
|
|
|
190
|
C=CCNC1CCNC(N1)N
|
|
|
191
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
|
192
|
c1con2c1nc(c2)C(=O)[O-]
|
|
|
193
|
CCSc1ccc(nn1)N
|
|
|
194
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
|
195
|
C1CCc2c(nc(s2)N)C1
|
|
|
196
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
197
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
|
198
|
c1ccc2c(c1)c(=O)sc(n2)N
|
|
|
199
|
Cc1nc(cs1)c2ccc[nH]2
|
|
|
200
|
c1(nc(=O)n(c(=O)n1Br)Br)O
|
|
|
201
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
|
202
|
C#Cc1c(cc(cn1)Cl)N
|
|
|
203
|
c1c(nns1)Br
|
|
|
204
|
Cc1cnc(c(n1)Cl)C#N
|
|
|
205
|
c1cc2c(c(c1)O)nnn2[O-]
|
|
|
206
|
c1nc(no1)c2c(non2)N
|
|
|
207
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
208
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
209
|
C1C2CONC2CC3C1OCO3
|
|
|
210
|
COc1c2cn[nH]c2ncn1
|
|
|
211
|
c1ccc2c(c1)nc(c(=O)o2)N
|
|
|
212
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
213
|
Cc1cc(nc2c1C(=O)CS2)C
|
|
|
214
|
Cc1cc2n(n1)CCC(=O)N2
|
|
|
215
|
CC(=O)NC1NCNC(N1)N
|
|
|
216
|
Cc1c(c(n(n1)C)n2cncn2)N
|
|
|
217
|
c1(c(nsc1Cl)Cl)N
|
|
|
218
|
Cc1c(nc([nH]1)C=C)C(=O)C
|
|
|
219
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
220
|
c1cn2c(n1)SC[C@@H](C2)O
|
|
|
221
|
Cc1cc(=O)[nH]c(n1)C2CC2
|
|
|
222
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
223
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
224
|
c1ccc2c(c1)nn(n2)S(=O)(=O)N
|
|
|
225
|
c1nc2c(s1)c(=O)[nH][nH]c2=O
|
|
|
226
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
|
227
|
CCCCCCC1CN[NH]N1
|
|
|
228
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
229
|
c1nnc2n1NC(=O)CCS2
|
|
|
230
|
Cc1cc(=O)n([nH]1)c2[n-]nnn2
|
|
|
231
|
c1cnc2c(n1)C(=O)NCN2
|
|
|
232
|
C1(NNC(S1)CL)CL
|
|
|
233
|
CC(C)c1nnc(o1)C(=O)[O-]
|
|
|
234
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
235
|
c1cnn2c1nc(cc2)Cl
|
|
|
236
|
CNC(=O)Oc1ccccc1
|
|
|
237
|
CC(C)(C)OC(=O)Nc1c[nH]nc1
|
|
|
238
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
239
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
240
|
Cc1c(cnc(n1)C)C(=O)C
|
|
|
241
|
C1(=NS(=O)(=O)N=C1O)O
|
|
|
242
|
c1nc(nn1CC(F)(F)F)N
|
|
|
243
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
244
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
|
245
|
CC(=O)Nc1nc(sn1)Cl
|
|
|
246
|
C(#N)c1c(n[nH]n1)Br
|
|
|
247
|
c1nc2n(n1)C[C@@H](CS2)O
|
|
|
248
|
C1NC2C(C(N1)N)NCNC2N
|
|
|
249
|
c1cnoc1c2nnc(o2)N
|
|
|
250
|
c1c[nH]nc1C(=O)NC2CC2
|
|
|
251
|
CC1=C([C@@H](C1)C(=O)N)C(=O)N
|
|
|
252
|
c1ccc2c(c1)nc3c(n2)nc[n-]3
|
|
|
253
|
C1CCc2c(nc(nn2)N)C1
|
|
|
254
|
C1NC2N(N1)[C@@H]3C[C@](N2)([C@H]4OC[C@@H]3O4)O
|
|
|
255
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
256
|
c1nc2n(n1)C(=O)CC(=N2)[O-]
|
|
|
257
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
258
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
259
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
|
260
|
c1c(=O)nc2n(n1)C(=O)CS2
|
|
|
261
|
C1CCC(C1)c2nnc(o2)N
|
|
|
262
|
COc1c2c([nH]n1)nncn2
|
|
|
263
|
CN1CCn2ccc3c2c1nc(=O)[nH]3
|
|
|
264
|
CCOC(=O)C[C@@H](CF)O
|
|
|
265
|
COc1ccc2c(c1)C[C@@H]2O
|
|
|
266
|
c1cc(cc2c1cc[nH]2)Cl
|
|
|
267
|
c1c2c(nc(n1)N)CCOC2
|
|
|
268
|
c1cc(cnc1)c2cccs2
|
|
|
269
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
|
270
|
c1csc(n1)n2cnnn2
|
|
|
271
|
COC(=O)CCc1c[nH]cn1
|
|
|
272
|
CC(=O)c1coc(cc1=O)O
|
|
|
273
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
274
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
275
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
|
276
|
c1nnc2n1NC(=O)CS2
|
|
|
277
|
CN(CCO)c1cnccn1
|
|
|
278
|
C1=CC=CC(C=C1)NC(=O)N
|
|
|
279
|
CN1CNC2C1NNNC2[O-]
|
|
|
280
|
CNC(=O)OCC(F)(F)F
|
|
|
281
|
c1nnc(s1)SCC#N
|
|
|
282
|
Cc1cc(cc2n1nnn2)O
|
|
|
283
|
C1CCC(CC1)c2[n-]nnn2
|
|
|
284
|
|
|
|
285
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
286
|
C1CCC2C(C1)C(NO2)C[S@@](=N)(=O)[O-]
|
|
|
287
|
CNC1CNC2CCCCC2N1
|
|
|
288
|
c1c2cc(nc(c2c(nc1O)O)O)O
|
|
|
289
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
|
290
|
c1cn[nH]c1c2ccsc2
|
|
|
291
|
c1cc(oc1)c2nnc(s2)N
|
|
|
292
|
c1cc(nc2c1NC(=O)C2)F
|
|
|
293
|
c1cc(sc1)c2[nH]ccn2
|
|
|
294
|
c1(c(n[nH]n1)C(=O)[O-])C(=O)[O-]
|
|
|
295
|
c1cc2c(nc1)ssc2=O
|
|
|
296
|
Cc1c2ccccc2c(=O)on1
|
|
|
297
|
c1cc(c(nc1)n2cncn2)N
|
|
|
298
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
299
|
c1([n-]nnn1)Nc2[n-]nnn2
|
|
|
300
|
c1cn(cn1)c2cc(=O)[nH]c(n2)N
|
|
|
301
|
c1cc2c(nc1)nc(s2)Cl
|
|
|
302
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
303
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
|
304
|
c1c2c(n[nH]c1=O)CCCC2
|
|
|
305
|
C1CCC2C(C1)C(=O)N3C(S2)NC(N3)N
|
|
|
306
|
Cn1cnc2c1CNC(=O)N2C
|
|
|
307
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
|
308
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
309
|
c1cc2c([nH]nc2Cl)nc1
|
|
|
310
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
|
311
|
c1cc(oc1)c2nccs2
|
|
|
312
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
|
313
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
314
|
c1c(noc1N)C2CCCC2
|
|
|
315
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
|
316
|
Cc1c2c(nc(n1)N)OCC2
|
|
|
317
|
CN(C)[C@@H](C#N)c1ccco1
|
|
|
318
|
COC1NC2CCCCC2NN1
|
|
|
319
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
|
320
|
C#Cc1ccc(s1)C(=O)[O-]
|
|
|
321
|
c1cc(c2nncn2c1)Cl
|
|
|
322
|
Cc1nc(on1)c2c(non2)N
|
|
|
323
|
|
|
|
324
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
325
|
C1=C(C=C([C@H]2C1=NC=N2)N)C(=O)[O-]
|
|
|
326
|
C([C@@H](CO)O)N1C(=O)[NH+]C(S1)N
|
|
|
327
|
c1nc2n(n1)[C@@H](C(=O)N2)CC(=O)[O-]
|
|
|
328
|
Cc1nc2cc([nH]c2s1)C(=O)[O-]
|
|
|
329
|
|
|
|
330
|
c1c2cn[nH]c2cnc1Cl
|
|
|
331
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
|
332
|
c1cc2c(nc1)nsc2Br
|
|
|
333
|
c1cc(sc1)c2nnco2
|
|
|
334
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
|
335
|
[C@@H](C(=O)N)(C(BR)(BR)BR)O
|
|
|
336
|
C1C2C(NCN1)SC=C(N2)O
|
|
|
337
|
Cc1c2c(ncnc2on1)N
|
|
|
338
|
Cn1c2c(c(ncn2)[O-])nn1
|
|
|
339
|
COC(=O)c1ccc(=O)oc1
|
|
|
340
|
C1NC([NH]N1)NC2=NCCO2
|
|
|
341
|
c1cc(c2c(c1)oc(=O)s2)O
|
|
|
342
|
|
|
|
343
|
c1cc(oc(=O)c1)c2cccnc2
|
|
|
344
|
[H]/N=c/1[nH]nc2c(n1)-c3ccccc3C2=O
|
|
|
345
|
c1c(nc[nH]1)I
|
|
|
346
|
Cc1cc(n2c(n1)nnn2)[O-]
|
|
|
347
|
Cc1[nH]c(=O)c2c(n1)CCC2
|
|
|
348
|
C(#N)c1c(c(ns1)Cl)Cl
|
|
|
349
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
|
350
|
C1CCc2c([nH]nc2O)CC1
|
|
|
351
|
c1cc(nn2c1ncc2)Cl
|
|
|
352
|
CCn1c(nn(c1=O)C)C(=O)[O-]
|
|
|
353
|
CCOc1c(nc(o1)C#N)C
|
|
|
354
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
355
|
Cc1[nH]c(=O)c2c(n1)C[NH2+]C2
|
|
|
356
|
CC(=C)c1nc(co1)C(=O)[O-]
|
|
|
357
|
CCSc1cc(ncn1)N
|
|
|
358
|
c1nc(nn1CC(=O)N)C#N
|
|
|
359
|
CS(=O)(=O)c1nc(on1)N
|
|
|
360
|
CC1CCC(CC1)(C#N)NC
|
|
|
361
|
CCOC(=O)c1c(onn1)C
|
|
|
362
|
CC1NC2C(NCNC2NN1)N
|
|
|
363
|
Cc1c2c(onc2c(=O)[nH]n1)C
|
|
|
364
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
|
365
|
C1CC2C(NC1)CC[C@@H](O2)O
|
|
|
366
|
Cc1nc2nncn2c(n1)[O-]
|
|
|
367
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
|
368
|
c1cc(oc1)c2nc(on2)CO
|
|
|
369
|
C1Cc2c(non2)-c3c1non3
|
|
|
370
|
Cc1cc(=O)n2c(n1)CCC2
|
|
|
371
|
C1CCC2C(C1)NC3C(N2)NSN3
|
|
|
372
|
c1c2c(nc(nn2cn1)Cl)Cl
|
|
|
373
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
|
374
|
C1CC(CCC=C1)CCC(=O)N
|
|
|
375
|
CCn1cc(cn1)c2ccno2
|
|
|
376
|
CCC(=O)Oc1csnn1
|
|
|
377
|
C1[C@@H](C1(Cl)Cl)C(=O)[O-]
|
|
|
378
|
CS(=O)(=O)Nc1ccccn1
|
|
|
379
|
c1cc(nnc1n2ccnc2)[O-]
|
|
|
380
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
381
|
Cc1cc2c(cco2)c(=O)o1
|
|
|
382
|
c1(c(oc(=O)o1)Cl)Cl
|
|
|
383
|
c1c(ncs1)Br
|
|
|
384
|
Cc1nc2cc(ccc2o1)F
|
|
|
385
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
386
|
c1nc2c3n1CCN=C3NC=N2
|
|
|
387
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
|
388
|
c1cnc(cn1)NC2=NCCN2
|
|
|
389
|
c1ncn(n1)Cn2cncn2
|
|
|
390
|
CCN1CCC2C1NCNC2N
|
|
|
391
|
C1C2N3C(CC(NC3SC2)N)NC1=O
|
|
|
392
|
Cc1cn(c(=O)[nH]1)S(=O)(=O)C
|
|
|
393
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
|
394
|
Cn1cnc(c1C#N)n2oo2
|
|
|
395
|
c1(nnc(o1)[O-])C(F)(F)F
|
|
|
396
|
C(#N)C(F)(F)Br
|
|
|
397
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
398
|
CCOC(=O)c1cccnn1
|
|
|
399
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
400
|
CC1=CC(=NS(=O)(=O)N1)C
|
|
|
401
|
Cc1c(c2cnnc(n2n1)[O-])Br
|
|
|
402
|
c1csc2c1CN(CC2)C(=O)N
|
|
|
403
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
404
|
Cc1cc2c(c(=O)o1)[C@@H](CO2)O
|
|
|
405
|
COC1NCC(C(N1)[O-])C#N
|
|
|
406
|
C=CCc1cc2nccn2cn1
|
|
|
407
|
c1c(c2c(s1)nns2)C#N
|
|
|
408
|
C=CC[C@@H]1C(=NC(=NC1=O)N)O
|
|
|
409
|
Cc1c(c2c(o1)CCC2=O)C(=O)[O-]
|
|
|
410
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
|
411
|
c1ccc2c(c1)n3c(s2)nnn3
|
|
|
412
|
CC(C)NC(=O)CSc1nnns1
|
|
|
413
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
|
414
|
c1ccc(cc1)c2cncnc2
|
|
|
415
|
Cn1c(nnn1)SCC#C
|
|
|
416
|
Cn1c(=O)c2ccccc2nn1
|
|
|
417
|
C#Cc1ccc2c(c1)nccn2
|
|
|
418
|
C[C@@H]1C(=O)NC2([N-]1)CCCC2
|
|
|
419
|
CCNC(=O)n1c(nnn1)N
|
|
|
420
|
c1cc2c(nc1)[C@H](C(=O)O2)C#N
|
|
|
421
|
CC1CCC2C(C1)NNS2
|
|
|
422
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
423
|
C1CS(=O)(=O)N1CCC#N
|
|
|
424
|
|
|
|
425
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
|
426
|
CC(=O)Nc1ccc2c(c1)ccs2
|
|
|
427
|
CC(C)(C)c1cnnc(n1)N
|
|
|
428
|
c1cnn2c1N[C@H](CC2=O)CO
|
|
|
429
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
430
|
CSc1c(c([nH]n1)N)C#N
|
|
|
431
|
c1(c(sc(=O)s1)C(=O)N)C(=O)N
|
|
|
432
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
|
433
|
c1c2nnnn2c(cn1)Cl
|
|
|
434
|
c1cc2c(cc1Cl)con2
|
|
|
435
|
|
|
|
436
|
c1cc2nccn2c(c1)Cl
|
|
|
437
|
C1Cc2c(nn(c2N)CCC#N)C1
|
|
|
438
|
Cc1cc2n(n1)C(=O)CC(=O)C2
|
|
|
439
|
c1ccc2c(c1)nnn2c3ccco3
|
|
|
440
|
Cc1ccc2nc(=O)on2c1
|
|
|
441
|
c1c[nH]c(cc1=O)Br
|
|
|
442
|
C[C@@H](C(=O)[O-])N1C(=O)SSC1=O
|
|
|
443
|
CC1([C@@H](N(C(=O)N1)CC=C)O)C
|
|
|
444
|
c1cc(sc1)c2[n-]nnn2
|
|
|
445
|
c1coc(=O)cc1Br
|
|
|
446
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
447
|
C1CCO[C@@H](C1)CS(=O)(=O)N
|
|
|
448
|
COc1cnc(o1)C(=O)OC
|
|
|
449
|
Cn1c2ccccc2n3c1n[nH]c3=O
|
|
|
450
|
c1c2c(=O)[nH]c(nc2n[nH]1)[O-]
|
|
|
451
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
452
|
Cc1c(n2c(n1)CCCCC2)O
|
|
|
453
|
Cc1cc(nc2c1c(on2)N)C
|
|
|
454
|
CS(=O)(=O)NCc1ccco1
|
|
|
455
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
|
456
|
COc1c2c(ncn1)CCNC2
|
|
|
457
|
Cc1cc(c(nn1)N)C(=O)N
|
|
|
458
|
COC(=O)[C@@H](c1ccco1)N
|
|
|
459
|
Cn1cc(cn1)S(=O)(=O)N
|
|
|
460
|
C1CNNCC1CCC(=O)[O-]
|
|
|
461
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
462
|
C=CCOc1cccnc1N
|
|
|
463
|
Cc1c(cco1)Br
|
|
|
464
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
|
465
|
c1ccc(cc1)c2cccnn2
|
|
|
466
|
Cc1nc([nH]n1)Br
|
|
|
467
|
CCOC(=O)[C@@H]1COC(=N1)C
|
|
|
468
|
c1c[nH]nc1C2CCCCC2
|
|
|
469
|
CNc1c2c(nccn2)ncn1
|
|
|
470
|
c1cc2c(nc1)sc(=O)o2
|
|
|
471
|
CC1(OC[C@H]([C@@H](CO1)O)O)C
|
|
|
472
|
CSC1C2C(CCN1)N[NH]N2
|
|
|
473
|
c1cc2c(c(c1)Cl)nccn2
|
|
|
474
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
475
|
c1cc(c(nc1)n2cccn2)N
|
|
|
476
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
477
|
c1(nc(sn1)Cl)Cl
|
|
|
478
|
CC1C2C(NC(CN2)CL)ON1
|
|
|
479
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
480
|
Cc1c(nc2c(n1)non2)[O-]
|
|
|
481
|
|
|
|
482
|
C1=N[C@@H]2C(=N1)N=C(N=C2Cl)N
|
|
|
483
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
484
|
c1cc(c2c(c1)ncs2)N
|
|
|
485
|
CCCCCS(=O)(=O)N
|
|
|
486
|
CC1=CC(=O)N=[S@@](=O)(O1)O
|
|
|
487
|
C(CO)C#CI
|
|
|
488
|
CCn1c(ccn1)SCC(=O)[O-]
|
|
|
489
|
c1c(con1)I
|
|
|
490
|
CC(C)Oc1cc(on1)C#N
|
|
|
491
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
|
492
|
C#CCSc1nn2cnnc2o1
|
|
|
493
|
CC12C(NC(=O)N1)NC(=O)N2
|
|
|
494
|
CCNC(=O)c1csnn1
|
|
|
495
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
496
|
Cc1c(nn2c(n1)nnn2)C
|
|
|
497
|
c1cc2c(nc1)OCC(=O)N2
|
|
|
498
|
c1cc(sc1)c2c(non2)N
|
|
|
499
|
c1cc2c(cc1N)NCC[NH2+]2
|
|
|
500
|
c1c(sc(n1)Br)S(=O)(=O)[O-]
|
|
|
501
|
CSc1cnc(cn1)Br
|
|
|
502
|
C1COCCN1c2nnc(o2)N
|
|
|
503
|
CCCn1c(ccn1)C2CC2
|
|
|
504
|
c1cc2c(c3c1non3)nns2
|
|
|
505
|
Cc1cc(nn2c1nnc2)O
|
|
|
506
|
CN1CNC(=O)c2c1n[nH]n2
|
|
|
507
|
c1ccnc(c1)CCS(=O)(=O)[O-]
|
|
|
508
|
Cc1c(c(n[nH]1)C)NC(=O)C
|
|
|
509
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
|
510
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
511
|
Cc1c2c(nc(s2)C#N)n(n1)C
|
|
|
512
|
CCC[C@@H](C(F)(F)Cl)O
|
|
|
513
|
CN1C(NNN1)C(F)(F)F
|
|
|
514
|
C=CCc1cc(ccc1O)O
|
|
|
515
|
c1cc(sc1)Cc2[n-]nnn2
|
|
|
516
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
|
517
|
c1cc2c(c(cs2)N)nc1
|
|
|
518
|
CSC1NCCC(N1)C#N
|
|
|
519
|
C1CC1N2C[C@@H](CC2=O)CO
|
|
|
520
|
Cc1c(non1)c2[n-]nnn2
|
|
|
521
|
c1coc2c1[nH]c(c2)C(=O)[O-]
|
|
|
522
|
C1NC-2C3NN[N-]N3CNC2N1
|
|
|
523
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
|
524
|
CN1CCC2NNCN2C1=O
|
|
|
525
|
Cc1csc(n1)c2c(non2)N
|
|
|
526
|
Cc1ccc(cc1)c2[n-]nnn2
|
|
|
527
|
Cn1c(ccn1)c2nnc(o2)N
|
|
|
528
|
Cc1cc(sc1)NC(=O)C
|
|
|
529
|
C1CCC(C1)(C#N)NCCO
|
|
|
530
|
c1cnoc1c2ccsc2
|
|
|
531
|
c1cc(n2c1c(ncn2)N)Br
|
|
|
532
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
|
533
|
C1c2nnnn2Cc3n1nnn3
|
|
|
534
|
|
|
|
535
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
|
536
|
c1cc2c(cc1F)O[C@@H](S2)N
|
|
|
537
|
Cc1nc2n(n1)C(=O)C(=N2)[O-]
|
|
|
538
|
c1nncn1NC(=O)CC#N
|
|
|
539
|
c1cncc2c1nc(o2)Cl
|
|
|
540
|
C(COCCOCCO)O
|
|
|
541
|
c1cscc1c2nnc(o2)N
|
|
|
542
|
c1cc(sc1)c2c[nH]nc2
|
|
|
543
|
C(c1c(non1)N)c2c(non2)N
|
|
|
544
|
c1csc(n1)C(=O)CC#N
|
|
|
545
|
CSc1c(cccn1)C#N
|
|
|
546
|
Cc1c(nc2c(n1)cccn2)C
|
|
|
547
|
c1ccc2=NC3=[NH+]CCN3C(=c2c1)[O-]
|
|
|
548
|
C(C(F)(F)F)S(=O)(=O)N
|
|
|
549
|
Cn1c2c(c(=O)[nH]c1=O)non2
|
|
|
550
|
c1cnnc(n1)c2nccnn2
|
|
|
551
|
c1cc(sc1)c2cncnc2
|
|
|
552
|
CC1NC(ON1)C2CCCO2
|
|
|
553
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
|
554
|
CS(=O)(=O)Nc1ncccn1
|
|
|
555
|
C[C@@H]1[C@@H]([C@H]([C@@H](C(=N1)CO)O)O)O
|
|
|
556
|
c1c(cn[nH]1)I
|
|
|
557
|
CC1=CC(=NS(=O)(=O)O1)[O-]
|
|
|
558
|
c1cc(sc1)c2ccno2
|
|
|
559
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
560
|
CC(=O)c1cc(cnc1)OC
|
|
|
561
|
Cc1cc2c(cco2)c(=O)n1N
|
|
|
562
|
c1ccc2c(c1)NS(=O)(=O)N2
|
|
|
563
|
c1csc2c1sc(c2)C(=O)[O-]
|
|
|
564
|
c1(c(=O)ssn1)Cl
|
|
|
565
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
566
|
c1cnn2c1ncc3c2C(=O)OCC3
|
|
|
567
|
CN1[C@H]2[C@@H](C(=O)N=C1[O-])N=C(N2)Cl
|
|
|
568
|
Cc1c2c(c3ccccc3n1)SCC2
|
|
|
569
|
C1Cc2c(non2)C(=O)NC1
|
|
|
570
|
Cc1nnc2n1nc(s2)C
|
|
|
571
|
c1cc(n[nH]c1=O)NC2CC2
|
|
|
572
|
CC(C)n1c(c(cn1)C#N)N
|
|
|
573
|