(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
CCOC(=O)[C@@H]1C=C1C(C)(C)O
|
|
2
|
CO[C@@H]1C=C[C@@H]([C@@H](O1)CO)O
|
|
3
|
CNC1=N[C@@H]2CCCC[C@@H]2O1
|
|
4
|
CCOC(=O)C[C@@H](CF)O
|
|
5
|
C1C=C[C@@H]2[C@@H]1[C@@H]3C[C@H]2[C@@H](C3)O
|
|
6
|
CC12CC3CC(C1)CC(C3)C2
|
|
7
|
C1C[C@H]2[C@@H]3C=C[C@H]([C@@H]1C2=O)O3
|
|
8
|
C/C=C/[C@@H]1CC(=CC(=O)O1)OC
|
|
9
|
C#C[C@@]1(C=C[C@H]2CO[C@@H]1O2)O
|
|
10
|
c1c[nH]nc1C2CCCCC2
|
|
11
|
COc1cc(n[nH]c1=O)Cl
|
|
12
|
COC1=CC(=O)O[C@@H]1CC#N
|
|
13
|
C1CCC2C(C1)N[C@@H]3CCN2C3
|
|
14
|
Cc1cc([nH]n1)OCCC#N
|
|
15
|
c1ccc2c(c1)CNS2(=O)=O
|
|
16
|
c1cn2c(c1CO)[C@@H](CC2)O
|
|
17
|
C1C2CC3CC1CC(C2)C3=O
|
|
18
|
c1cc2c(cc1N)c3c(o2)CCC3
|
|
19
|
CC(C)[C@@H]1n2cccc2C(=O)O1
|
|
20
|
CCO/C=CCC1(CCCC1)O
|
|
21
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
22
|
C1C[C@@]23CC=CC[C@]2(C1)NC3=O
|
|
23
|
C1CC(=O)NC[C@@H]1C(F)(F)F
|
|
24
|
COC1=NC[C@@H](CC1)C(F)(F)F
|
|
25
|
|
|
26
|
c1cnc(c2c1occ2)Cl
|
|
27
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
28
|
Cc1ccc(o1)C(F)(F)F
|
|
29
|
|
|
30
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
31
|
c1ccc2c(c1)C3C=CC2C=C3
|
|
32
|
COc1ccc(s1)SC
|
|
33
|
C(C(C(F)(F)F)(F)F)O
|
|
34
|
C[C@@H]1C=C(C=C(NC1=O)C)C
|
|
35
|
C1CC1N2C[C@@H](CC2=O)CO
|
|
36
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
37
|
c1c[nH]c2c1ncc(n2)Cl
|
|
38
|
COC(=O)CCc1c[nH]cn1
|
|
39
|
c1ccc(cc1)Br
|
|
40
|
CCOC(=O)[C@@H]1CC=C(C1)C
|
|
41
|
C(C(F)(F)F)C(F)(F)F
|
|
42
|
Cc1c2sc(n1)NC(=O)N2
|
|
43
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
44
|
CC(=O)OC1C2C=CC1C=C2
|
|
45
|
C=CCc1cc(ccc1O)O
|
|
46
|
CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1
|
|
47
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
48
|
CCC[C@@H](C(F)(F)Cl)O
|
|
49
|
c1c(cn[nH]1)CS(=O)(=O)N
|
|
50
|
CCOSN1CCOCC1
|
|
51
|
CCOC(=O)[C@@H]1COC(=N1)C
|
|
52
|
C1CCC(CC1)[C@@H]2CC(=O)OC2
|
|
53
|
C1CCC2C(C1)C[C@@H]3C[C@H]2OC3=O
|
|
54
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
55
|
c1cc(sc1)I
|
|
56
|
CNc1ccc(cc1F)C#N
|
|
57
|
C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O1)O3
|
|
58
|
C(#N)C(C(C#N)(F)F)(F)F
|
|
59
|
c1cc(oc1)Cn2c(ccn2)N
|
|
60
|
CCCCCC(=O)OCC#C
|
|
61
|
Cc1c[nH]nc1C(F)(F)F
|
|
62
|
c1coc2c1cc(cc2O)F
|
|
63
|
CCC(=O)OC/C=C/C=C/C
|
|
64
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
65
|
Cc1c2ccccc2c(=O)on1
|
|
66
|
C1CCC2C(C1)[C@@H]3CC[C@H]2NC3=O
|
|
67
|
C1C[C@@]2(CC(=O)OC2)CNC1=O
|
|
68
|
Cc1cc(sc1CC#N)C
|
|
69
|
CC(=O)N1CCN2C1CCN2
|
|
70
|
CC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
|
|
71
|
CC1=CNC(=O)CC(C1)(C)C
|
|
72
|
CCOC(=O)[C@H]1[C@H]2[C@@H]1OC=C2
|
|
73
|
C1CCC(C1)(C#N)NCCO
|
|
74
|
C([C@@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O
|
|
75
|
C1[C@@H]2C=C[C@H]1C([C@@]2(C(F)(F)F)F)(F)F
|
|
76
|
c1cc2c(cc1Br)C=C2
|
|
77
|
|
|
78
|
CCCSc1c(nns1)C
|
|
79
|
CSC1=NNC2=NCCCN21
|
|
80
|
C1COC(=O)[C@@H]1C(F)(F)F
|
|
81
|
CC1(OC[C@@H](O1)[C@@H](C#C)O)C
|
|
82
|
CCOC1=NC(=CC(=C[C@@H]1C)C)C
|
|
83
|
C1CC(OC1)(C2CC2)C3CC3
|
|
84
|
C#CCOc1ccc(cc1)F
|
|
85
|
c1ccc(c(c1)c2cc[nH]n2)O
|
|
86
|
CCCCCCC1CN[NH]N1
|
|
87
|
CCCCn1c(ccc1C)C
|
|
88
|
CC(=O)OC1C2C3C2C4C3C41
|
|
89
|
CC1CCC(CC1)N=S=O
|
|
90
|
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2COC3=O
|
|
91
|
Cc1c2cccnc2sn1
|
|
92
|
c1cc2c([nH]nc2Cl)nc1
|
|
93
|
c1cc(sc1)Br
|
|
94
|
c1c([nH]nn1)SCC(=O)N
|
|
95
|
CCCn1c(ccn1)C2CC2
|
|
96
|
COC1=CCC2=C(C1)CCO2
|
|
97
|
Cc1cc(no1)C(F)(F)F
|
|
98
|
c1c(c(c(c(n1)F)F)F)F
|
|
99
|
c1coc(=O)cc1Br
|
|
100
|
COC1=NC=CC[C@@]1(F)Br
|
|
101
|
CC(=O)c1ccc(cc1)OC
|
|
102
|
CC1(C(=O)CCC1=O)CC#C
|
|
103
|
C1C2(CN3CC1(CN(C2)C3)Br)Br
|
|
104
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
105
|
c1cc(nnc1)Br
|
|
106
|
Cc1cc-2n(c1)CCn3c2ccc3
|
|
107
|
c1c(csn1)Br
|
|
108
|
Cc1cc2nc(nc(n2n1)N)N
|
|
109
|
COC(=O)c1ccc(o1)C#N
|
|
110
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
111
|
c1cnn(c1)CN2CCCC2
|
|
112
|
c1c2c(cnc1Cl)CCN2
|
|
113
|
c1cc2c(cc1Cl)con2
|
|
114
|
C=CCOc1cccnc1N
|
|
115
|
C=CC[C@@H]1CCCCC(=O)N1
|
|
116
|
|
|
117
|
C1=CC2=CC(=O)O[C@@H]2[C@@H]([C@@H]1O)O
|
|
118
|
CC1CCC(CC1)(C#N)NC
|
|
119
|
CCOSC1CCCCC1
|
|
120
|
|
|
121
|
CCCC[C@@H](CC)C1=NCCO1
|
|
122
|
C1C[C@@H](C(=O)C1)C(F)(F)F
|
|
123
|
C1CCCC(=CC(=O)N)CC1
|
|
124
|
CC1=C[C@@]23C=CC=CC2=CN=C3C=C1
|
|
125
|
c1ccc(cc1)CNc2ncco2
|
|
126
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
127
|
c1(=O)c(nsnc1Cl)N
|
|
128
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
129
|
C#CC1(CCCCCCC1)O
|
|
130
|
c1cncc2c1sc(n2)Cl
|
|
131
|
CO[C@@H]1CCS(=O)(=O)NC1
|
|
132
|
CC1=CO[C@@](CC1)(C)C(=O)[O-]
|
|
133
|
Cn1c(ncn1)C(=O)C2CC2
|
|
134
|
c1cc(cnc1)Br
|
|
135
|
Cn1cnnc1SCC#C
|
|
136
|
Cc1c(c(on1)C)CCC#N
|
|
137
|
CCOC(=O)CC/C=C/C#C
|
|
138
|
c1c[nH]c(=O)c2c1scc2
|
|
139
|
c1c(cc(c2c1CC=C2)F)F
|
|
140
|
C1CCC2C(C1)C(=CN=CO2)O
|
|
141
|
C1CCC(CC1)C(F)(F)F
|
|
142
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
143
|
C#C[C@@]1(CC[C@H]2CO[C@@H]1O2)O
|
|
144
|
C1C[C@@H]2C[C@H]1C[C@@]2(C#N)CL
|
|
145
|
C1[C@@H]2C[C@@]([C@H]1C=C2)(C#N)Cl
|
|
146
|
c1c(c(on1)C2CC2)C(=O)[O-]
|
|
147
|
CCOC1=N[C@@H]2CCCC[C@@H]2N1
|
|
148
|
C1COC[C@@H](N1)C(F)(F)F
|
|
149
|
C(C(F)(F)Cl)(F)(F)Cl
|
|
150
|
CC(=O)c1cc2cc[nH]c2nc1
|
|
151
|
c1cc(cc2c1cc[nH]2)Cl
|
|
152
|
c1ccc2c(c1)C[C@H]([C@@H]2O)O
|
|
153
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
154
|
c1ccc(cc1)I
|
|
155
|
CCC(C)(C)Br
|
|
156
|
CCCOC(=O)n1cccc1
|
|
157
|
CN1CCC=CC2C1CCCC2
|
|
158
|
C1=N[C@@H]2[C@@H](N1)NC(=NC2=O)[NH-]
|
|
159
|
c1c(ncs1)Br
|
|
160
|
c1cc(nn2c1ncc2)Cl
|
|
161
|
c1cc([nH]c1)C(=O)c2ccc[nH]2
|
|
162
|
C1CCC2C(C1)CC(=O)[C@@H]3[C@H]2C3
|
|
163
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
164
|
C1[C@@H](NCC1(F)F)C(=O)N
|
|
165
|
Cc1c(cco1)Br
|
|
166
|
c1cn(cn1)Cc2cnc(s2)Cl
|
|
167
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
168
|
CN1C(=O)CC[C@@]1([C@@H]2CC=CC=C2)O
|
|
169
|
Cc1c2c(n[nH]1)CC(C=C2)(C)C
|
|
170
|
CC1(C(=O)N2CCOC2=N1)C
|
|
171
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
172
|
CCOC1=CC(=O)N(C1)CC#C
|
|
173
|
CC(=O)c1ccc(s1)C#N
|
|
174
|
c1cc(c2c(c1)OCCC2)O
|
|
175
|
CC12C(NC(=O)N1)NC(=O)N2
|
|
176
|
CC(=O)NCc1ccccn1
|
|
177
|
CCC(=O)Oc1c(noc1C)C
|
|
178
|
C1CO[C@@H](C1(Cl)Cl)O
|
|
179
|
Cc1c(c2ccccc2o1)C#N
|
|
180
|
CCOc1c(nc(o1)C#N)C
|
|
181
|
c1ccc2c(c1)-c3ccccc3N=CN2
|
|
182
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
183
|
c1csc2c1NC(=O)CCC2
|
|
184
|
CCCCn1ccc(=N)cc1
|
|
185
|
CCSc1nncn1Cc2ccco2
|
|
186
|
CC1=CC[C@@H]2C[C@H]1OC2(C)C
|
|
187
|
CC(=O)O[C@@H]/1C/C=CCC/C=C1
|
|
188
|
c1cnn2c1nc(cc2)Cl
|
|
189
|
CCOC(=O)[C@@H]1CCCN=C1
|
|
190
|
C=CCC(CC=C)(CC=C)O
|
|
191
|
c1nc(c(n1CCO)N)C#N
|
|
192
|
c1cc2c(cc1N)SCN2
|
|
193
|
C[C@@H]1CN([C@@H](C2=C1N=CC2)C)C
|
|
194
|
CC(C)(C#CBr)O
|
|
195
|
c1cc2nccn2c(c1)Cl
|
|
196
|
Cc1nnc(o1)SCC#C
|
|
197
|
C(C(F)(F)F)S(=O)(=O)N
|
|
198
|
c1nc(nn1CC(=O)N)C#N
|
|
199
|
CCCC1=NCCn2c1ccc2
|
|
200
|
Cc1ccc2c(c1)SCC2
|
|
201
|
C[C@@H]([C@H]1[C@@H](NC1=O)OC(=O)C)O
|
|
202
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
203
|
c1ccc2c(c1)c-3nncc3co2
|
|
204
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
205
|
c1cn2c(n1)SC[C@@H](C2)O
|
|
206
|
|
|
207
|
|
|
208
|
C1=CN[C@@H]2[C@H](C1=O)NC=CC2=O
|
|
209
|
C=CCOc1ccc(cc1)O
|
|
210
|
CC[C@]12N(CCO1)C[C@H](O2)C
|
|
211
|
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(Nc4c(non4)N2)O)O3
|
|
212
|
CCSc1cc(ncn1)N
|
|
213
|
c1nc2n(n1)C(=O)CC(=N2)[O-]
|
|
214
|
Cc1coc2c1c(=O)[nH]cn2
|
|
215
|
c1c(c(cnc1Cl)Cl)[O-]
|
|
216
|
c1[nH]c(=O)c2c(n1)NCCC2
|
|
217
|
C[C@@]1(CCCC(O1)(C)C)C#C
|
|
218
|
CCNSc1ccccc1
|
|
219
|
C[C@@H]1CN=C(c2c1cccc2)C
|
|
220
|
C=CCNC1CCNC(N1)N
|
|
221
|
COC(=O)C1CSCCC1=O
|
|
222
|
C#CCNCc1cccs1
|
|
223
|
Cc1nnc2n1CCCCC2
|
|
224
|
c1c2cn[nH]c2cnc1Cl
|
|
225
|
CCOc1nc(sn1)OCC
|
|
226
|
c1csc(n1)C(=O)CC#N
|
|
227
|
CCCCCS(=O)(=O)N
|
|
228
|
c1c2c(n3c(n1)ncn3)CCC2
|
|
229
|
C(C(F)(F)I)(F)(F)F
|
|
230
|
CCO[C@@]1(CC=CC=C1)I
|
|
231
|
C/1C[C@H]2[C@@H](CC/C=C1)NC2=O
|
|
232
|
CCCOSOCCC
|
|
233
|
C1CC2CCC1COCOC2
|
|
234
|
c1cc(oc1)CNc2nnns2
|
|
235
|
COc1cc(ccc1O)C=C
|
|
236
|
CC1=CC(=O)O[C@@H](C1)c2ccccc2
|
|
237
|
C[C@@H]1CC2CCSC2C1=O
|
|
238
|
c1c(=O)cc(n2c1CCC2)O
|
|
239
|
c1csc2c1NCCNC2=O
|
|
240
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
241
|
C1C[C@@H]2C[C@H]1C3C2SC(C3F)F
|
|
242
|
c1c2nnnn2c(cn1)Cl
|
|
243
|
c1(nnc(o1)[O-])C(F)(F)F
|
|
244
|
c1cc2c(c(c1)F)C(=O)CC2
|
|
245
|
C#Cc1c(cc(cn1)Cl)N
|
|
246
|
C1CCC2(CC1)CNC(=O)O2
|
|
247
|
C=C1CCCOc2c1cccc2
|
|
248
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
249
|
Cn1cccc1CCn2ccnc2
|
|
250
|
Cn1cccc1CNc2[n-]nnn2
|
|
251
|
COC(=O)Cc1cccnn1
|
|
252
|
c1c[nH]c2c1c(ncc2)Cl
|
|
253
|
C1CCC2(CC1)CCCN=C2
|
|
254
|
CSc1cc2ccsc2s1
|
|
255
|
C[C@H]1CC(=O)c2ccsc2S1
|
|
256
|
Cc1c(c(n[nH]1)n2ccnc2)N
|
|
257
|
CC(C)(c1cccn1C=C)O
|
|
258
|
c1c(cnc2c1non2)Br
|
|
259
|
CC(=O)Nn1c2ccccc2nn1
|
|
260
|
CCc1cc2cnsc2s1
|
|
261
|
CCCN1CCC(C1)C(=O)C
|
|
262
|
CNC(=O)Oc1ccccc1
|
|
263
|
CC1=CC(=O)Nc2ccccc2N1
|
|
264
|
CC(C)CO[C@@H]1CCC=CO1
|
|
265
|
c1cc2c(cc1N)N3CC[NH+]=C3S2
|
|
266
|
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)N)O)O)O
|
|
267
|
C1CCC2C(C1)[C@@H]3C[C@]2(C=C3)CO
|
|
268
|
c1c[nH]c(cc1=O)Br
|
|
269
|
C1CCC2=C(C1)CCCCO2
|
|
270
|
C[C@@H]1CC(N=C(O1)C=C)(C)C
|
|
271
|
|
|
272
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
273
|
CC(=O)OC(C#C)OC(=O)C
|
|
274
|
Cc1ccc(cc1)N=S=O
|
|
275
|
CCO[C@@H]1CC1(Cl)Cl
|
|
276
|
c1c2c(n[nH]c1=O)CCCC2
|
|
277
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
278
|
Cn1c(=O)c2ccccc2nn1
|
|
279
|
c1ccc2c(c1)C=CS(=O)(=O)O2
|
|
280
|
Cc1[nH]cc(n1)Br
|
|
281
|
C=CCOC1CCNC(N1)N
|
|
282
|
Cc1c(cc2cc[nH]c2n1)C#N
|
|
283
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
284
|
CC(=C1OC(=O)CC(=O)O1)C
|
|
285
|
Cc1nc2c(s1)ccs2
|
|
286
|
CN1C=C[C@@H]2[C@@H](C[C@@H]2C1=O)C#N
|
|
287
|
CNC(=O)OCC(F)(F)F
|
|
288
|
Cc1ccc(n1NC(=O)C)C
|
|
289
|
CC(=O)N(C)c1cccnc1
|
|
290
|
CCC/C=C/COC(=O)N(C)C
|
|
291
|
C1CC2(CC2)[C@@H]3[C@@H]1NC(=O)C3
|
|
292
|
CCCCc1[nH]cc([nH+]1)CO
|
|
293
|
C(COCC(F)(F)F)C#N
|
|
294
|
Cc1nccn1C(=O)c2cccs2
|
|
295
|
c1cc2c(c(c1)F)CCCN2
|
|
296
|
CC(C)(C#C)NC(=O)COC
|
|
297
|
CC1=C([C@@H]2CCO[C@@H]2O1)C(=O)OC
|
|
298
|
C=CC[C@@H]1C(=NC(=NC1=O)N)O
|
|
299
|
C[C@@H]1[C@@H]([C@H]([C@@H](C(=N1)CO)O)O)O
|
|
300
|
c1cc2c(nc1)onc2Cl
|
|
301
|
CN1C(NNN1)C(F)(F)F
|
|
302
|
c1ccc(cc1)Cn2ccnc2
|
|
303
|
C1Cc2c(ssc2=O)C1
|
|
304
|
C1C2CC3CC1CC(C2)(C3)c4nsc(=O)o4
|
|
305
|
CC[C@H]1[C@H](C(=O)N1)NC(=O)OC
|
|
306
|
c1ccc2c(c1)C(=O)OCCO2
|
|
307
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
308
|
CC(C)(C)/C=C/c1ccccn1
|
|
309
|
C=Cn1cccc1c2cccs2
|
|
310
|
CCC1=C([C@@H](OC(=C1C)C)C)C
|
|
311
|
c1cc(sc1)C(F)(F)F
|
|
312
|
C/C(=C/C(=O)[O-])/C(F)(F)F
|
|
313
|
Cc1c(scn1)OC(=O)C
|
|
314
|
c1ccc2c(c1)CCCS2
|
|
315
|
c1cc(sc1Cl)Cl
|
|
316
|
c1ccc2c(c1)c(ns2)[O-]
|
|
317
|
C#Cc1ccc(s1)C(=O)[O-]
|
|
318
|
c1cnn(c1)CC(F)(F)F
|
|
319
|
c1c[nH]nc1c2nccs2
|
|
320
|
c1cc2c(cc1F)CCNC2
|
|
321
|
c1csc2n1c(=O)[nH]c(=O)n2
|
|
322
|
C(#N)C(F)(F)Br
|
|
323
|
COC(=O)c1ccc(=O)oc1
|
|
324
|
C1CCN(CC1)c2[n-]nnn2
|
|
325
|
|
|
326
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
327
|
CC1CCCC(N1)C2[N-]NNN2
|
|
328
|
COC(=O)[C@@H](c1ccco1)N
|
|
329
|
CCn1cc(cn1)c2cc[nH]n2
|
|
330
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
331
|
CC(=O)c1cc2c([nH]1)ccs2
|
|
332
|
COC[C@@H](C(OC)OC)O
|
|
333
|
CC(=O)c1cc(cnc1)OC
|
|
334
|
C1C2NC(=O)NC1NC(=O)N2
|
|
335
|
C#Cc1ccc(c(c1)Cl)N
|
|
336
|
C1C[C@@H]2[C@@H](C2(Cl)Cl)OC1
|
|
337
|
CN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)NC1=O)O
|
|
338
|
C1C[C@H]2C=C[C@@H]1[C@@H]([C@H]2C#N)C#N
|
|
339
|
CCSc1nc(ns1)[O-]
|
|
340
|
Cc1ccc(n1Cc2ccco2)C
|
|
341
|
C1CCC(CC1)N2CCC=CC2
|
|
342
|
c1c(cn[nH]1)C23CC4CC(C2)CC(C4)C3
|
|
343
|
c1ccc(cc1)[C@H]2C(=O)NOC2=O
|
|
344
|
C1CN2N(C1=O)CCCCC2
|
|
345
|
C[C@@]1([C@@H]2CCCN2C(=O)O1)CO
|
|
346
|
c1cc2c(c(c1)Cl)nccn2
|
|
347
|
C1CN2C(CN1)CNC2CL
|
|
348
|
C1CC=C(C1)[C@H]2CCCC2=O
|
|
349
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
350
|
CC[C@@]1(C=C[C@@](O1)(C)CC)C
|
|
351
|
c1ccc(cc1)Sc2ccn[nH]2
|
|
352
|
COCSc1ccccc1
|
|
353
|
c1ccc(cc1)N2CCC(=O)NCC2
|
|
354
|
c1cc(oc1)c2cccs2
|
|
355
|
C1C/C(=C/2CCOC2=O)/OC1
|
|
356
|
c1cc(sc1)c2c[nH]nc2
|
|
357
|
CC1=Nc2ccccc2C1(C)C
|
|
358
|
c1ccc(cc1)CSc2ccsc2
|
|
359
|
Cc1c-2ccocc2oc1=O
|
|
360
|
Cc1cc2c(cn1)C(=O)OCC2
|
|
361
|
c1ccc(cc1)C(=O)C(O)O
|
|
362
|
CC(C)OC(=O)C1=NC(=O)CC=C1
|
|
363
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
364
|
C1COCCC1(CC#N)C#N
|
|
365
|
C1CS(=O)(=O)N=C2N1C=CC=C2
|
|
366
|
c1cc2c(c(c1)Cl)C(=O)C2
|
|
367
|
C[C@@H](Cc1ccco1)NC(=O)C
|
|
368
|
C1C=C2C(=C[C@@]1(CCO)N)OCO2
|
|
369
|
CCOC(=O)[C@@H](C#N)C1=NCCC1
|
|
370
|
c1nnc(s1)SCC#N
|
|
371
|
COc1ccc2c(c1)non2
|
|
372
|
CCSC1NC(CS1)C
|
|
373
|
C1CN2C=CN=C(C2=N1)Cl
|
|
374
|
c1cc2ccn3c2c(c1)CCC3
|
|
375
|
C1CCC(CC1)OCCC#N
|
|
376
|
c1cc(sc1)[C@H]2CC=NC=C2
|
|
377
|
C1C=C[C@@H]([C@@H]2N1C(=O)OC2)O
|
|
378
|
CCC1C(=O)NCCNC1=O
|
|
379
|
Cn1c(c(cn1)C#N)n2cccc2
|
|
380
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
381
|
CCc1cc(cc([o+]1)CC)C
|
|
382
|
CC(=CCC/C(=C/C=C)/C)C
|
|
383
|
CC1(O[C@@H]2CCC(=O)[C@@H]2O1)C
|
|
384
|
c1c2c(cs1)OCCCO2
|
|
385
|
CC(=O)OC1=CC[C@@H]2C[C@H]1C2(C)C
|
|
386
|
C1CCC2C(C1)C(=O)OCCS2
|
|
387
|
CCOC(=O)C1CC(=O)SS1
|
|
388
|
|
|
389
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
390
|
c1ccc2c(c1)ncn2n3cccc3
|
|
391
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
392
|
CC(=O)O/C=C/CC(=O)OC
|
|
393
|
c1cc(sc1)N2CCCC2
|
|
394
|
c1cc2c(cc1F)C(=O)NC2
|
|
395
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
396
|
C1CC(C1)c2nc(no2)CO
|
|
397
|
CC1CCC2C(C1)NNS2
|
|
398
|
c1cc(cnc1)[C@@]2(CCC=C2)O
|
|
399
|
COC(=O)CC1=NCCOC1=O
|
|
400
|
c1cnc2c(n1)c(cs2)N
|
|
401
|
c1ccc(cc1)c2cccnn2
|
|
402
|
CC(=O)OC1(CCCCC1)N2N(O2)C
|
|
403
|
CCOC(=O)c1c([nH]c(=O)[nH]1)C
|
|
404
|
Cc1cc2c(cco2)c(=O)o1
|
|
405
|
c1cc(sc1)c2ccon2
|
|
406
|
Cc1c(nc([nH]1)C=C)C(=O)C
|
|
407
|
CC1(c2cccnc2NC1=O)C
|
|
408
|
C1=C[C@H]2[C@H]3C=C[C@@H]([C@@H]1C(=O)N2)NC3=O
|
|
409
|
CCS(=O)(=O)Nc1ccn(n1)C
|
|
410
|
Cn1c(nnn1)SCC#C
|
|
411
|
CN1C2CCNC(C2NN1)CL
|
|
412
|
c1c2c(=O)[nH]c(nc2n[nH]1)[O-]
|
|
413
|
c1ncn(n1)CCn2cncn2
|
|
414
|
CC1=C(C(=O)N([C@@H]1O)CC=C)C
|
|
415
|
C#CCn1cnc2c1cccc2
|
|
416
|
CC1=CC(=O)N=[S@@](=O)(O1)O
|
|
417
|
C1COC2(O1)C[C@@H]3[C@@H]2CC=C3
|
|
418
|
C1C=C2C(=CC(=O)O2)[C@@H](O1)O
|
|
419
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
420
|
c1c[nH]c2c1NC(=O)CNC2=O
|
|
421
|
C[C@@H]1COC(=N1)c2cccs2
|
|
422
|
CC1(OC[C@H]([C@@H](CO1)O)O)C
|
|
423
|
CSc1ccc(s1)C#N
|
|
424
|
|
|
425
|
CC(=O)OCc1ccccc1
|
|
426
|
C1CO[C@@H](CO1)C(F)(F)F
|
|
427
|
Cc1c(cccc1Cl)C#N
|
|
428
|
C1COC2=N[C@@H]3CCOC3=N[C@@H]21
|
|
429
|
c1ccc2c(c1)N=C([C@@H](O2)CC(=O)[O-])O
|
|
430
|
CCO[C@@]1(C(=O)C([C@@]1(C)CL)(C)C)C
|
|
431
|
COC1CC(C1)(C#N)BR
|
|
432
|
C(C(F)(F)S(=O)(=O)[O-])(F)F
|
|
433
|
c1ccc2c(c1)NCCCS2
|
|
434
|
CSc1c(=O)c(=O)c1SC
|
|
435
|
CCn1c(ccn1)SCC(=O)[O-]
|
|
436
|
C/C=C/Sc1ccccc1
|
|
437
|
C(CC(Cl)(Cl)Cl)C#N
|
|
438
|
CCCC[C@@]1(CN(C(=O)OC1)C)CC
|
|
439
|
c1ccc2c(c1)C(=O)OCC(=O)N2
|
|
440
|
Cc1c2cc(ccc2[nH]n1)F
|
|
441
|
c1nc(no1)c2c(non2)N
|
|
442
|
c1cnn2c1N[C@H](CC2=O)CO
|
|
443
|
Cc1cc(cc([o+]1)C)SC
|
|
444
|
CC(=O)NCCn1cccn1
|
|
445
|
CCCCC1C(OC(N1)C)CC=C
|
|
446
|
COC1OCc2ccccc2CO1
|
|
447
|
c1c(c(=O)nc2n1CCO2)C#N
|
|
448
|
CC1(OC[C@@H](O1)CC(=O)N)C
|
|
449
|
COC(=O)NC1(OCCO1)C(F)(F)F
|
|
450
|
CCOCC12COCN1COC2
|
|
451
|
C1[C@@H]2[C@@H](C2(Cl)Cl)CC3=CC=CC=C1C3
|
|
452
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
453
|
C1CNC(=O)[C@@H]2[C@H]1CNC2=O
|
|
454
|
c1ccc2c(c1)c3noc(=O)n3cn2
|
|
455
|
CSc1/c(=CN)/n2cnnc2n1
|
|
456
|
c1nc(nn1CCC#N)N=N=N
|
|
457
|
C1CCC(CC1)S[C@@H]2CCCO2
|
|
458
|
CC(C)C[C@@H](C(F)(F)F)N
|
|
459
|
c1ccc(cc1)N2CCOC2=O
|
|
460
|
Cc1cc(=O)n2c(n1)CCC2
|
|
461
|
c1c(nc[nH]1)I
|
|
462
|
C[C@@H]1CCO[C@@H](C1)C=C(C)C
|
|
463
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
464
|
CCOc1nc(nc(n1)N)C
|
|
465
|
c1cc2c(c(c1)F)c(no2)N
|
|
466
|
c1ccnc(c1)CCS(=O)(=O)[O-]
|
|
467
|
c1cc(sc1)c2ccn[nH]2
|
|
468
|
C1=CC=CC(C=C1)NC(=O)N
|
|
469
|
c1csc2c1C(=O)CCC2
|
|
470
|
c1cnoc1c2ccsc2
|
|
471
|
CC1=CC(=O)O[C@@H]1CC(=O)[O-]
|
|
472
|
c1ccc-2c(c1)CCc3c2nns3
|
|
473
|
c1ccc2c(c1)CNC(=O)CN2
|
|
474
|
c1c2c(nc(n1)N)SCC2
|
|
475
|
CC(=O)Oc1c(ccs1)N
|
|
476
|
Cc1cn2c(csc2n1)C
|
|
477
|
COc1cc[nH]c(=O)c1C#N
|
|
478
|
CCCCN/C(=CC1=NCCC1)/C
|
|
479
|
C=CCSc1ccsc1
|
|
480
|
Cc1ccc(cc1)C(F)(F)F
|
|
481
|
c1cn2c(=O)cc([nH]c2n1)[O-]
|
|
482
|
CC(C)(C#CBr)N(C)C
|
|
483
|
c1ccc2c(c1)CS(=O)(=O)N=C2N
|
|
484
|
Cc1cc(n(n1)S(=O)(=O)C)C
|
|
485
|
c1cnc(cn1)Br
|
|
486
|
C[C@@H]1C=Cc2cc(ccc2O1)O
|
|
487
|
c1cc2c(nc1)NC(=O)CO2
|
|
488
|
C(CNCC(F)(F)F)C#N
|
|
489
|
CCNC(=O)Cn1ccnc1
|
|
490
|
C1NC2N(N1)[C@@H]3C[C@](N2)([C@H]4OC[C@@H]3O4)O
|
|
491
|
Cc1cc2c(o1)CCCC2=O
|
|
492
|
Cn1cnnc1Cc2ccccc2
|
|
493
|
C=CCNC(=O)n1ccnc1
|
|
494
|
c1ccc(cc1)Nc2nncs2
|
|
495
|
c1nc(c2c(n1)scn2)N
|
|
496
|
C(/C=C/[C@@](C(F)(F)Br)(F)Cl)O
|
|
497
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
498
|
CNc1cnnc2c1cccc2
|
|
499
|
Cc1ccc(o1)/C=C(C)/CO
|
|
500
|
Cc1csc(n1)c2cn[nH]c2N
|
|
501
|
c1cnc(cn1)I
|
|
502
|
c1cc(oc1)COCCC#N
|
|
503
|
c1cc2c(cc1O)CC(=O)O2
|
|
504
|
Cc1c(cccn1)C2=NCCC2
|
|
505
|
c1cc2ccnn2c(c1)Br
|
|
506
|
CC[C@@](C)(c1nnn(n1)C)O
|
|
507
|
COC(=O)[C@]12C(=NC=N1)C=NC=N2
|
|
508
|
Cc1cc2c3nnnn3cnc2s1
|
|
509
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
510
|
|
|
511
|
Cc1cccc(=O)c(c1)OC
|
|
512
|
|
|
513
|
COc1c2cn[nH]c2ncn1
|
|
514
|
C1CC1NC(=O)C2(CC2)C#N
|
|
515
|
c1cc2c3c(c1)OCc3cc(=O)o2
|
|
516
|
c1cc(c2c(c1)oc(=O)s2)O
|
|
517
|
CC(C)c1cc(cc(=O)o1)[O-]
|
|
518
|
c1cnc2n(c1=O)ccs2
|
|
519
|
c1cc(c2c(c1)NCCO2)N
|
|
520
|
Cc1c(c(=O)n([nH]1)C)CCO
|
|
521
|
c1nc(nn1CC(F)(F)F)N
|
|
522
|
C1CS(=O)(=O)N1CCC#N
|
|
523
|
c1cc(c2c(c1)ncs2)N
|
|
524
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
525
|
Cn1c(nc(n1)Br)n2ccnc2
|
|
526
|
CN1CCCN(C1(F)F)C
|
|
527
|
CC1=C([C@@H](C1)C(=O)N)C(=O)N
|
|
528
|
c1cnn(c1)Cc2cnc(s2)Cl
|
|
529
|
c1cc(sc1)c2cnco2
|
|
530
|
Cc1cc(n(n1)C(=O)OC)C
|
|
531
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
532
|
CS(=O)(=O)Nc1[n-]cnn1
|
|
533
|
c1c(c(cc(c1F)F)F)F
|
|
534
|
Cc1ncc-2n1Cc3c2cccc3
|
|
535
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
536
|
Cc1nc2cc(ccc2o1)F
|
|
537
|
CCO/C/1=N/CCCCCCC1
|
|
538
|
C=Cn1cccc1c2ccco2
|
|
539
|
CCOC(=O)c1c(onn1)C
|
|
540
|
C=CCCOCOCCC=C
|
|
541
|
c1ccc(cc1)COn2cc(cn2)I
|
|
542
|
C/C=C/C1OCC(CO1)(C)C
|
|
543
|
c1c(nns1)Br
|
|
544
|
c1ccc2c(c1)C(=O)CCCN2
|
|
545
|
CC/C(=C/1CC(N=C1C)(C)C)/C
|
|
546
|
Cc1nc(cs1)c2ccc[nH]2
|
|
547
|
Cc1ccc(o1)SCc2ccco2
|
|
548
|
c1cc2c(cc1N)COCO2
|
|
549
|
COC(=O)NS(=O)(=O)OC
|
|
550
|
Cc1c(=O)n2ccccc2nn1
|
|
551
|
Cc1[n-]nc(n1)C(F)(F)F
|
|
552
|
CN1CNC(=O)c2c1n[nH]n2
|
|
553
|
COC(=O)N1CCCNC(=O)C1
|
|
554
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
555
|
c1cc(ccc1C2=CCO2)F
|
|
556
|
C[C@@]1(C(=N1)N(C)C)C(=O)OC
|
|
557
|
c1(nc(sn1)Cl)Cl
|
|
558
|
c1ccc2c(c1)C(=O)OCS2
|
|
559
|
Cc1[nH]c(cn1)C(F)(F)F
|
|
560
|
c1ccc2c(c1)cccc2Cl
|
|
561
|
CN1[C@H]2[C@@H](C(=O)N=C1[O-])N=C(N2)Cl
|
|
562
|
c1cc(sc1)C(=O)[C@@H]2CCC(=O)O2
|
|
563
|
c1cc([nH]c1)C(=O)c2ccco2
|
|
564
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
565
|
c1ccc(cc1)C(=O)c2c(non2)N
|
|
566
|
c1ccc2c(c1)c(cs2)O
|
|
567
|
Cc1cc(nn2c1nnc2)O
|
|
568
|
C1CC2N(C1)-C3C(CCS3)CN=C2
|
|
569
|
C1CC2(C1)CC2(Cl)Cl
|
|
570
|
C1CC2N(C1)[C@@H](OC2=O)C3CCCO3
|
|
571
|
|
|
572
|
Cc1cc(=O)n(c(=O)o1)CC=C
|
|
573
|
c1cc(sc1)c2[nH]ccn2
|
|
574
|
Cc1cc(no1)NS(=O)(=O)C
|
|
575
|
CCc1ccc(cn1)SC
|
|
576
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
577
|
CC1([C@@H](N(C(=O)N1)CC=C)O)C
|
|
578
|
C1C(=O)N=C2C=CC=CN2C1=O
|
|
579
|
Cc1[nH]c(=O)c2c(n1)C[NH2+]C2
|
|
580
|
c1[nH]c2c(n1)C(=O)C[NH+]=CN2
|
|
581
|
Cc1cc(no1)CSc2nncs2
|
|
582
|
c1c(con1)I
|
|
583
|
c1csc(n1)n2cnnn2
|
|
584
|
CC(=O)Oc1coc2c1cccc2
|
|
585
|
C1C2CC3CC1OC(O2)(O3)C(=O)N
|
|
586
|
CCOC(=O)N1CCC=CC1
|
|
587
|
c1c(snn1)N2CCOCC2
|
|
588
|
c1ccc2c(c1)[C@@H]3c4c(cccc4O2)C(=O)O3
|
|
589
|
COc1ccc(cc1C#C)F
|
|
590
|
CCOC(=O)Cc1coc(n1)C
|
|
591
|
C1Cc2c(nn(c2N)CCC#N)C1
|
|
592
|
c1cc2cccc3c2c(c1)CC3
|
|
593
|
c1ccc(cc1)[C@@H]2CC(=O)NC2
|
|
594
|
CN1CCn2c1nc3c2cccc3
|
|
595
|
C[C@@]1(CCC=C1CC(=O)[O-])c2ccccc2
|
|
596
|
c1csc2c1C(=O)NCCS2
|
|
597
|
c1cc(sc1)CC(=O)n2cnnc2
|
|
598
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
599
|
c1ccc(cc1)Cn2cccc2
|
|
600
|
C1C[NH+]=CC=C(N1)C(F)(F)F
|
|
601
|
COC(=O)C1=C2CCCN2CC1
|
|
602
|
C1C(NC2N1CCS2)CL
|
|
603
|
c1ccnc(c1)CCSc2nncs2
|
|
604
|
Cc1cc(=O)[nH]c(n1)C2CC2
|
|
605
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
606
|
C1[C@@H](C1(Cl)Cl)C(=O)[O-]
|
|
607
|
c1cc2c(nc1)NC3(N2)CCCCC3
|
|
608
|
CS(=O)(=O)NCc1ccco1
|
|
609
|
c1cc2c(cc1O)COC2=O
|
|
610
|
c1cc2c(nc1)[C@@H](O[C@@H]2O)O
|
|
611
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
612
|
C1OCSc2c(sc(=O)s2)S1
|
|
613
|
c1cc(nc2c1n[n-]n2)Cl
|
|
614
|
CC(=O)NCCn1cccc1
|
|
615
|
C(CO)C#CI
|
|
616
|
COC(=O)C#CBr
|
|
617
|
c1ccc2c(c1)c(=O)ss2
|
|
618
|
CC1=C(C2(C1(C(=C2C)C)C)C)C
|
|
619
|
Cn1c(=O)n2n(c1=O)[C@H]3C[C@@H]2C=C3
|
|
620
|
Cc1cc(c(nn1)N)C(=O)N
|
|
621
|
c1cc(oc1)CNn2cnnc2
|
|
622
|
c1csc2c1c(ncn2)N
|
|
623
|
c1ccc(cc1)Oc2ccoc2
|
|
624
|
c1cc(sc1)c2nnco2
|
|
625
|
c1nc(c2c(n1)[nH]c(n2)[O-])N
|
|
626
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
627
|
CCCCO[C@@H](C)n1cnnc1
|
|
628
|
CC1=Cc2ccccc2C=C[C@@H]1O
|
|
629
|
CC1(O[C@@H]2COC(=O)[C@@H]2O1)C
|
|
630
|
c1cc2c(c(cs2)N)nc1
|
|
631
|
CCCCC[C@@H](CC)OC#C
|
|
632
|
CCOC(=O)COCCC=C
|
|
633
|
COC(=O)C1=C(CC1)C(=O)OC
|
|
634
|
CC(C)(C(=O)[O-])n1cncn1
|
|
635
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
636
|
CN1[C@@H]2C=C[C@H](C1=O)C3C2CCCC3
|
|
637
|
c1cnccc1[C@@H]2CCC=CC2
|
|
638
|
c1cc(nc2c1NC(=O)C2)F
|
|
639
|
|
|
640
|
CC1=CC(=NS(=O)(=O)N1)C
|
|
641
|
C1C[C@@H](OC1)COCCC#N
|
|
642
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
643
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
644
|
c1ccc2c(c1)C(=O)c3nccn3C2=O
|
|
645
|
C1CCN(C1)S(=O)(=O)N
|
|
646
|
c1ccc(cc1)[C@@]2(C=C(C(=O)O2)O)O
|
|
647
|
C=CCNc1nc(ns1)N
|
|
648
|
CC1(O[C@@H]2CC(=O)OC[C@@H]2O1)C
|
|
649
|
CN1COCN(C1=O)COC
|
|
650
|
c1ccc2c(c1)CNC(=O)CS2
|
|
651
|
C1CC2C(NC1)SCCC2=O
|
|
652
|
c1ccc2c(c1)n3cccc3s2
|
|
653
|
Cc1[nH]c2cc(ccc2n1)F
|
|
654
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
655
|
c1cccc(c1)CC/C2=CC(=O)[O-]
|
|
656
|
c1ccc(cc1)Oc2cnns2
|
|
657
|
CN(C)c1c(ccs1)SC
|
|
658
|
C1CCO[C@@H](C1)CS(=O)(=O)N
|
|
659
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
660
|
Cc1nn2cc(nc2s1)Cl
|
|
661
|
c1c2c(nc(n1)N)CCOC2
|
|
662
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
663
|
Cc1ccc2c(c1)nnc(n2)N
|
|
664
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
665
|
CCC(=O)Oc1csc(n1)C
|
|
666
|
CC1=Nc2ccccc2SC1
|
|
667
|
c1cnn(c1)Cn2cc(cn2)N
|
|
668
|
c1ccc2c(c1)OCC(=O)O2
|
|
669
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
670
|
Cc1c(c(n[nH]1)Cl)Br
|
|
671
|
CC1NNC2N1CC[NH]C2=O
|
|
672
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
673
|
|
|
674
|
c1cncc2c1c(cc(=O)o2)[O-]
|
|
675
|
C1CC2C(CC1N)C=CCS2
|
|
676
|
|
|
677
|
c1c(nc(s1)Cl)Cl
|
|
678
|
|
|
679
|
CN1CCC2NNCN2C1=O
|
|
680
|
c1ccc(cc1)c2cscn2
|
|
681
|
CC1(OC[C@@H](O1)/C=C/CO)C
|
|
682
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
683
|
c1csc2c1c3c(s2)ccs3
|
|
684
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
685
|
c1csc2c1[nH]c(=O)oc2=O
|
|
686
|
c1ccc(cc1)[C@@H]2CCC(=O)O2
|
|
687
|
CCOc1cc(c(o1)C)c2ccccc2
|
|
688
|
C1CC2C(NC1)CC[C@@H](O2)O
|
|
689
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
690
|
[H]/N=c/n(nc(s1)Br)CC=C
|
|
691
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
692
|
CC1C2C(NN1C)CCOC2=O
|
|
693
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
694
|
CCC1(C(=O)NC(=NC1=O)C)CC
|
|
695
|
c1ccc2c(c1)ncc(n2)C#N
|
|
696
|
C1CCC(CC1)CC2CCC[NH]2
|
|
697
|
CCOC(=O)N1CCC(=O)C1
|
|
698
|
c1cc2c(c(c1)F)CC(=O)N2
|
|
699
|
c1ccc2c(c1)C(=O)NCCO2
|
|
700
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
701
|
C[C@H]1[C@H]([C@H](C=CO1)OC(=O)C)F
|
|
702
|
Cn1c2c(c(ncn2)[O-])nn1
|
|
703
|
COC1=NN=C(CC1=O)Cl
|
|
704
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
705
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
706
|
CCC/C=C/[C@@H](CC=C)OCC
|
|
707
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
708
|
CS(=O)(=O)N1CCNC1=O
|
|
709
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
710
|
c1c[nH]c2c1c(cnc2)Cl
|
|
711
|
c1cnsc1C(=O)N2CC(C2)F
|
|
712
|
CO[C@@H]1C=C[C@@](O1)(CO)OC
|
|
713
|
C[C@@H]1CC[C@@H](C1)NC2=NCCO2
|
|
714
|
Cc1cc2n(c1)-c3ccccc3C2=O
|
|
715
|
c1c(c(n[nH]1)n2cnnc2)N
|
|
716
|
c1cc2c(nc1)nc(s2)Cl
|
|
717
|
CCN(CC)CC#CC(=C)C
|
|
718
|
COc1ccc2c(c1)C[C@@H]2O
|
|
719
|
c1ccc(cc1)Cn2ccnn2
|
|
720
|
CC1=NCC[C@@H]1c2ccccc2
|
|
721
|
CC(=O)N1CCCC[C@H]1C#C
|
|
722
|
CCn1c2c(nc1Cl)CCC2
|
|
723
|
Cc1c(c(on1)C)S(=O)(=O)N
|
|
724
|
CC(C)(C)I
|
|
725
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
726
|
c1ccn2cc(nc2c1)CC#N
|
|
727
|
CSc1nc(c(s1)C#N)N
|
|
728
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
729
|
Cc1nc2c(ncnc2o1)N
|
|
730
|
Cc1ccc(cc1)n2cnnn2
|
|
731
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
732
|
Cc1c(=O)ssc1Cl
|
|
733
|
C[C@@H]1NC2CCCCC2C(=O)O1
|
|
734
|
COc1c2cc[nH]c2[nH]c(=O)n1
|
|
735
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
736
|
c1ccc2=NC3=[NH+]CCN3C(=c2c1)[O-]
|
|
737
|
c1c2n(nn1)CCn3c(cnn3)S2
|
|
738
|
c1ccc2c(c1)-n3ccnc3CO2
|
|
739
|
c1ccc(cc1)[C@H]2C(=O)NN=C2[O-]
|
|
740
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
741
|
c1ccc2c(c1)-c3c(snn3)C2=O
|
|
742
|
C1COC(N1)NC2CCCCC2
|
|
743
|
Cc1c(n2c3c1cccc3CC2)C
|
|
744
|
c1ccc(cc1)Nc2nnns2
|
|
745
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
746
|
C(CF)NC(=O)NCCF
|
|
747
|
C1CCC(CC1)c2[n-]nnn2
|
|
748
|
C1CN(CCN1)C(=O)CC#N
|
|
749
|
c1cc2c(nc1)sc(=O)o2
|
|
750
|
CN(C)S(=O)(=O)n1cccn1
|
|
751
|
COC(=O)N1C[C@H]2COC(=O)[C@H]2C1
|
|
752
|
C[C@H]1[C@H]2CC[C@H](O2)[C@@]([C@@H]1O)(C)Cl
|
|
753
|
CC1=NC(=O)[C@H](C=C1C(=O)C)C#N
|
|
754
|
CO/C=C/1C(=CC(=O)O1)OC
|
|
755
|
c1cc(sc1)c2ccno2
|
|
756
|
c1ccc2c(c1)c3c([nH]2)SCCS3
|
|
757
|
c1ncn(n1)NCNn2cncn2
|
|
758
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
759
|
c1ccc2c(c1)n3cccc3c(=O)s2
|
|
760
|
C1C[C@@H](OC1)C(=O)NC2CC2
|
|
761
|
c1ccc2c(c1)nc3n2C(=O)C3
|
|
762
|
C1CN[C@@](C(=O)N1)(C(F)(F)F)O
|
|
763
|
CC1([C@H]2[C@@H]1[C@@H]3C=C[C@H]2O3)C(=O)OCC=C
|
|
764
|
COC(=O)[C@@H]1[C@H]2C=CO[C@@H]2O1
|
|
765
|
CN1CC(N(C(=O)C1=O)C)CL
|
|
766
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
767
|
c1cc(=O)oc2c1CCCC2
|
|
768
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
769
|
Cc1c(n2c(ncn2)nn1)[O-]
|
|
770
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
771
|
c1cc2cccc3c2c(c1)C=C3
|
|
772
|
c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2
|
|
773
|
CC1=C(CC(=O)N1)C(=O)OC
|
|
774
|
c1ccc(cc1)Cn2cccn2
|
|
775
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
776
|
|
|
777
|
c1ccc(cc1)c2c(cc(=O)[nH]n2)[O-]
|
|
778
|
Cc1nnc2n1N=C(CS2)C
|
|
779
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
780
|
Cn1c(ccn1)[C@@H](c2cccs2)O
|
|
781
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
782
|
C1CCC2C(C1)-C3C(CN[NH]3)CCS2
|
|
783
|
c1ccc2=c3ccccc3=c2c1
|
|
784
|
c1ccc2c(c1)CC(=O)NC=C2
|
|
785
|
CSc1nccc(n1)c2cnoc2
|
|
786
|
CCOC(=O)Cc1[nH]ncn1
|
|
787
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
788
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
789
|
c1(nc(sn1)Br)N
|
|
790
|
C1CCc2c([nH]nc2O)CC1
|
|
791
|
C=CCN1[C@@H]2C=CC=C[C@@H]2C(=O)C1=O
|
|
792
|
c1cc(oc1)CNc2nccs2
|
|
793
|
C1CCC2C(C1)OC[C@@H](CS2)O
|
|
794
|
c1cc(oc1)c2nccs2
|
|
795
|
CC1(Nc2ccccc2-c3n1nnn3)C
|
|
796
|
CCC1C(=C(C(=C1C)C)C)C
|
|
797
|
C1CCc2c([nH]c(=O)[nH]2)CC1
|
|
798
|
CCC(=O)OBr
|
|
799
|
c1ccc2c(c1)c(=O)ccs2
|
|
800
|
Cn1c2c([nH]c1=O)nncn2
|
|
801
|
CCOC(=O)C=C1CCOCC1
|
|
802
|
Cc1cc2ncc(cn2n1)C#N
|
|
803
|
c1cn(cn1)C(=O)OCC#N
|
|
804
|
c1ccc(cc1)COn2ccnc2
|
|
805
|
c1ccc(cc1)n2cnc(n2)[O-]
|
|
806
|
c1ccc2c(c1)nnn2CF
|
|
807
|
c1cc(sc1)c2c(non2)N
|
|
808
|
[H]/N=c/nc(ss1)Oc2ccccc2
|
|
809
|
Cc1c(csn1)C(=O)NC
|
|
810
|
Cc1c2c(ncnc2on1)N
|
|
811
|
Cc1c(non1)c2ccn[nH]2
|
|
812
|
COC(=O)[C@@H]1CC2CNCN2C(=O)N1
|
|
813
|
C[C@@H]1CCCc2c1n(cc2)C=C
|
|
814
|
c1ccc2ccccc(c1)COC2
|
|
815
|
CC(=O)NCC1CNCCN1
|
|
816
|
c1nc([nH]n1)c2c(non2)N
|
|
817
|
CSC1NSC2N1C(NN2)N
|
|
818
|
CCCCCC#COC(=O)OC
|
|
819
|
CCCc1c(snn1)CC
|
|
820
|
C1CC=CC2(C=C1)OCCO2
|
|
821
|
c1cn[nH]c1c2ccsc2
|
|
822
|
Cc1nnc2n1C[C@@H](S2)C
|
|
823
|
C1COCCN1c2[n-]nnn2
|
|
824
|
CN1C(=O)CNS1(=O)=O
|
|
825
|
C1C#C/C=CC#CC[C@@H]([C@@H]1CO)CO
|
|
826
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
827
|
C1CC[C@@H]2[C@@H](C1)OCC=CO2
|
|
828
|
C1CS(=O)(=O)N=C2N1C=CC=N2
|
|
829
|
Cc1cc(nc2c1c(on2)N)C
|
|
830
|
CC(C)Oc1cc(on1)C#N
|
|
831
|
C#Cc1ccc2c(c1)nccn2
|
|
832
|
C1CCC2C(C1)C=CCCS2(=O)=O
|
|
833
|
c1ccc2c(c1)-c3c(c[nH]n3)CO2
|
|
834
|
C1CC(=C(N[C@@H]1C(F)(F)F)[O-])C(=O)[O-]
|
|
835
|
C=C=CCC(=O)N1CCCC1
|
|
836
|
CN(C)[C@@H](C#N)c1ccco1
|
|
837
|
Cc1cccc2c1N=NCC2=O
|
|
838
|
c1nc2c3n1CCN=C3NC=N2
|
|
839
|
CC(=O)c1coc(cc1=O)O
|
|
840
|
c1cc2c(=O)[nH]c3c(n2c1)ccs3
|
|
841
|
CCNC(=O)c1csnn1
|
|
842
|
CC(C)(C)C(=O)n1ccnc1
|
|
843
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
844
|
c1ncn(n1)Sn2cncn2
|
|
845
|
CN(CCO)c1cnccn1
|
|
846
|
c1csc(n1)N2CCCC2
|
|
847
|
c1cc2cc(sc2nc1)CO
|
|
848
|
C1CCC(C1)C(=O)Nc2[n-]nnn2
|
|
849
|
C1CC2C3C(CO2)CCCC3C1O
|
|
850
|
c1ccc(cc1)CCn2cnnn2
|
|
851
|
Cc1c(c[nH]n1)c2ccccc2
|
|
852
|
c1ccc(cc1)[C@@H]2COC(=O)CN2
|
|
853
|
c1c(cn[nH]1)I
|
|
854
|
c1ccc2c(c1)NCCC(=O)N2
|
|
855
|
Cc1cc2n(n1)CCC(=O)N2
|
|
856
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
857
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
858
|
C1C[C@@H](Cc2c1snn2)C(=O)[O-]
|
|
859
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
860
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
861
|
c1cc(oc1)c2c(n[n-]n2)C#N
|
|
862
|
Cc1nc2nncn2c(n1)[O-]
|
|
863
|
CC1C(CCO1)S(=O)(=O)N
|
|
864
|
C1CCO[C@@H](C1)OC2=CCC=CC2
|
|
865
|
C=CCNC(=O)c1ccco1
|
|
866
|
c1ccc2c(c1)NC(=O)CCO2
|
|
867
|
C1CCC(=C2CCCC2=O)C1
|
|
868
|
CC(=O)[C@@H](C1CCCCC1)O
|
|
869
|
c1c(noc1N)C2CCCC2
|
|
870
|
CCOC(=O)N1C=CC=C[C@@H]1CC=C
|
|
871
|
CSC1C2C(CCN1)N[NH]N2
|
|
872
|
c1coc2c1C(=O)NCCC2
|
|
873
|
CN(C)C(OCC=C)OCC=C
|
|
874
|
C1C=CN(C(=O)N1CO)CO
|
|
875
|
CC1=CC(=O)[C@H](C(=N1)SC)C#N
|
|
876
|
c1cc(oc1)S(=O)(=O)CC#N
|
|
877
|
c1cc2c(c(c1N)N)non2
|
|
878
|
c1cc(cnc1)C(=O)c2ccco2
|
|
879
|
CCCc1nncn1NC(=O)OCC
|
|
880
|
c1nnc2n1NC(=O)CCS2
|
|
881
|
C1C(=O)CC2NN[NH]N2C1N
|
|
882
|
c1ccn(c(=O)c1)n2cccc2
|
|
883
|
Cc1cc(n(n1)C(=O)NC)C
|
|
884
|
c1ccn(c1)c2nncs2
|
|
885
|
CC1=NCCN1C(=O)c2ccco2
|
|
886
|
c1cc(oc1)c2cc(no2)CO
|
|
887
|
CCOC(=O)[C@@H]1CC=CN1C(=O)C
|
|
888
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
889
|
CC1=C(CC=C(C1)OC)OC
|
|
890
|
Cc1ccccc1C(=O)C(C)(C)C
|
|
891
|
Cc1csc2c1c(cs2)C
|
|
892
|
Cc1cc(cc2n1nnn2)O
|
|
893
|
c1ccc(cc1)NCC(=O)[O-]
|
|
894
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
895
|
c1c(nnn1CC(=O)[O-])CO
|
|
896
|
Cc1cc(n(n1)C2=NCCN2)C
|
|
897
|
c1ccc2ccc(=O)ccc(c1)C2
|
|
898
|
c1cscc1C2CCCC2
|
|
899
|
CC(C)(OC(C)(C)Cl)Cl
|
|
900
|
c1c(n2c(n1)CCC2)C(=O)[O-]
|
|
901
|
c1ccc2c(c1)c(cc(=O)[nH]2)N
|
|
902
|
CCOC(=O)[C@@H]1CCC(=N1)c2ccc[nH]2
|
|
903
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
904
|
CN1CCC(=O)N2C1=NCC2
|
|
905
|
CSC1NCCC(N1)C#N
|
|
906
|
C1CNNCC1CCC(=O)[O-]
|
|
907
|
C1CC(CCC=C1)CCC(=O)N
|
|
908
|
c1cc(sc1)c2[n-]nnn2
|
|
909
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
910
|
COC(=O)/C=c/c(=O)[nH]c(=C)s1
|
|
911
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
912
|
CCC(=O)Oc1csnn1
|
|
913
|
Cn1c(nnn1)c2ccco2
|
|
914
|
C[C@@]12CC[C@@H](C1(C)C)CC2=C
|
|
915
|
C1CC/C(=C/2C=CC=[NH+]2)/NCC1
|
|
916
|
c1cc(oc1)CNc2[n-]nnn2
|
|
917
|
CCC(=O)Cc1cnccn1
|
|
918
|
c1c(nc2nncn2c1[O-])[O-]
|
|
919
|
c12c(sc(=O)s1)sc(=O)s2
|
|
920
|
c1cc2c3c(c1)CC[C@@H]3CCC2
|
|
921
|
COC(=O)C1=C(CCCC1)N
|
|
922
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
923
|
CCCCN(CCCC)CC#C
|
|
924
|
Cc1cnc(o1)Cn2cccn2
|
|
925
|
C1C[C@@H]2C(=O)NCC(=O)N2C1
|
|
926
|
c1cc2c(c(c1)O)nnn2[O-]
|
|
927
|
Cc1ccc(n1c2cc(on2)C)C
|
|
928
|
c1ccc2c(c1)NC3(O2)CCCC3
|
|
929
|
CC1NC(ON1)C2CNCCN2
|
|
930
|
c1ccc2c(c1)c3c([nH]2)CCC3
|
|
931
|
|
|
932
|
C1CC([NH]C1)C(=O)OCC#N
|
|
933
|
c1ncn(n1)Cn2cncn2
|
|
934
|
c1cc(c2nncn2c1)Cl
|
|
935
|
CN(C)C1=CC(=O)N2C1CCC2
|
|
936
|
COC1NCCC(N1)SC
|
|
937
|
c1cc2c(cc1C#N)CCCC=C2
|
|
938
|
Cc1c2c(nnn2[O-])n(n1)C
|
|
939
|
c1csc2c1c(n[nH]c2=O)N
|
|
940
|
c1ccc(cc1)Cn2cncn2
|
|
941
|
c1[nH]nc(n1)I
|
|
942
|
c1(c(oc(=O)o1)Cl)Cl
|
|
943
|
Cc1cc(no1)c2ccccc2
|
|
944
|
c1cc2c(nc1)OCC(=O)N2
|
|
945
|
c1cc(oc1)/C=C/2CCC(=O)O2
|
|
946
|
Cc1c2c(on1)CCCC2=O
|
|
947
|
c1ccc2c(c1)C(=O)OS(=O)(=O)N2
|
|
948
|
Cc1nc([nH]n1)Br
|
|
949
|
CSc1c(c([nH]n1)N)C#N
|
|
950
|
c1cc(sc1)C2=NCCC2
|
|
951
|
Cc1nnnn1C2CCCCC2
|
|
952
|
c1ccc(cc1)N2CCNC2=O
|
|
953
|
c1cc2c(cc1N)NCC[NH2+]2
|
|
954
|
CN(C)c1nnnn1c2cccnc2
|
|
955
|
CN1c2ccccc2S[C@@H]1c3ccco3
|
|
956
|
C1CNc2c(c(=O)c2=O)NC1
|
|
957
|
c1nc2n(n1)C[C@@H](CS2)O
|
|
958
|
C1CC2(C1)CC2(Br)Br
|
|
959
|
c12c(c(n[nH]c1=O)[O-])non2
|
|
960
|
C/C(=C/C(=O)OC)/N1CCCC1
|
|
961
|
C1C[C@@H](C=C1)O[C@H]2CCC=C2
|
|
962
|
Cn1cc(cn1)NCc2ccco2
|
|
963
|
COc1c2c([nH]n1)nncn2
|
|
964
|
c1cc(nc2c1CNCC2)Cl
|
|
965
|
CCc1nc(c(o1)C)SC
|
|
966
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
967
|
CC(=O)Nc1c2cn[nH]c2ncn1
|
|
968
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
969
|
Cc1c2c([nH]n1)CCOC(=O)N2
|
|
970
|
c1cc(sc1)C(=O)n2cnnc2N
|
|
971
|
CC1=NCCN1S(=O)(=O)C
|
|
972
|
|
|
973
|
COC1=C(C(C1(F)F)(F)F)OC
|
|
974
|
c1ccc2c(c1)C(=NS2(=O)=O)[O-]
|
|
975
|
CCOC(=O)N1CC2CCOC2C1
|
|
976
|
C[C@@H]1C(=O)NC2([N-]1)CCCC2
|
|
977
|
c1ccc-2c(c1)NCc3n2ccc3
|
|
978
|
CSc1c(cccn1)C#N
|
|
979
|
C1CCC(C1)c2nnc(o2)N
|
|
980
|
c1c2c(sc1Cl)C(=NS2(=O)=O)[O-]
|
|
981
|
CC1=N[C@@](C(=O)O1)(C)NC(=O)C
|
|
982
|
|
|
983
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
984
|
CCOC(=O)N1CCNC(=O)C1
|
|
985
|
Cc1c(ccc(n1)Cl)C#N
|
|
986
|
[H]/N=c/c(c(n(s1)CC=C)N)C#N
|
|
987
|
c1csc2c1ncnc2N
|
|
988
|
c1ccc2c(c1)NCCS2
|
|
989
|
CN(C)c1c(ccs1)OC
|
|
990
|
c1ccc(cc1)Sc2ccccn2
|
|
991
|
CC1=CC(=O)N2[C@@H](CO[C@@H]2O1)C(C)C
|
|
992
|
CCSc1ncnc(n1)N
|
|
993
|
C[C@@H](Cc1ccco1)NS(=O)(=O)C
|
|
994
|
COC1NCC(C(N1)[O-])C#N
|
|
995
|
C1CC(OC1)CNC2=NCCO2
|
|
996
|
|
|
997
|
CC1=NS(=O)(=O)N=C(O1)OC
|
|
998
|
c1ccc(cc1)c2cccs2
|
|
999
|
Cc1[nH]c(=O)c2c(n1)CCC2
|
|
1000
|
C1CCC2=C(C1)C(=O)CCN2
|
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