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Virtual screening for IDP 3V4E - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
2
|
Cc1ccc(cc1)C#Cc2ccco2
|
|
|
3
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
|
4
|
C1C[C@H]2C=C[C@@H]1[C@@H]([C@H]2C#N)C#N
|
|
|
5
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
6
|
C1=C[C@H]2[C@H]3C=C[C@@H]([C@@H]1C(=O)N2)NC3=O
|
|
|
7
|
C[C@@]1(C(OC(=O)N1CCc2ccco2)(C)C)O
|
|
|
8
|
c1c([nH]nn1)SCC(=O)N
|
|
|
9
|
|
|
|
10
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
|
11
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
12
|
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(Nc4c(non4)N2)O)O3
|
|
|
13
|
C[C@@]1(C(OC(=O)N1CCc2c[nH+]c[nH]2)(C)C)O
|
|
|
14
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
|
15
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
16
|
Cc1c(n(ccc1=O)CCc2c[nH]cn2)C
|
|
|
17
|
Cn1ccnc1COc2ccc(cc2)N
|
|
|
18
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
|
19
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
|
20
|
CC1=NC(=NC([C@H]1C#N)(C(F)(F)F)C(F)(F)F)c2ccco2
|
|
|
21
|
C/1C[C@H]2[C@@H](CC/C=C1)NC2=O
|
|
|
22
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
23
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
24
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
|
25
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
26
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
27
|
C1CC2(C1)C[C@@](NC(=O)N2)(C(F)(F)F)O
|
|
|
28
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
|
29
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
|
30
|
c1ccc(cc1)COn2ccnc2
|
|
|
31
|
CN1C(NCN1)CCC2CCCCC2
|
|
|
32
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
|
33
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
|
34
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
|
35
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
36
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
|
37
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
38
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
39
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
40
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
41
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
42
|
|
|
|
43
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
|
44
|
c1cc2c(c(c1)F)CC(=O)N2
|
|
|
45
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
46
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
47
|
Cc1ccc(n1NC(=O)C)C
|
|
|
48
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
|
49
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
50
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
|
51
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
|
52
|
C1CCc2c([nH]nc2O)CC1
|
|
|
53
|
|
|
|
54
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
55
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
56
|
C1CC(=O)NC[C@@H]1C(F)(F)F
|
|
|
57
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
58
|
CC(=O)OC/C=C/c1cccnc1
|
|
|
59
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
60
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
61
|
CC(=O)c1ccc2=c3cc(ccc3=c2c1)C(=O)C
|
|
|
62
|
c1ccc(cc1)NCc2cscn2
|
|
|
63
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
64
|
c1ccc(cc1)NCc2ccco2
|
|
|
65
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
66
|
Cc1c2c([nH]n1)CCOC(=O)N2
|
|
|
67
|
Cc1c(c(=O)[nH]c(=O)[nH]1)c2cccc(c2)n3cccn3
|
|
|
68
|
|
|
|
69
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
|
70
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
71
|
c1ccc2c(c1)NS(=O)(=O)N2
|
|
|
72
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
73
|
c1ccc2c(c1)nn(n2)C3=CC(=O)N=[NH+]3
|
|
|
74
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
|
75
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
|
76
|
C[C@@H]1C2=C(COC2=O)NC(=O)N1
|
|
|
77
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
|
78
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
|
79
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
|
80
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
81
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
|
82
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
|
83
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
|
84
|
CS(=O)(=O)Nc1cccc2c1cn[nH]2
|
|
|
85
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
|
86
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
|
87
|
CC1=CNC(=O)CC(C1)(C)C
|
|
|
88
|
c1c[nH]c2c1NC(=O)CNC2=O
|
|
|
89
|
c1nc(nn1CC(F)(F)F)N
|
|
|
90
|
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2COC3=O
|
|
|
91
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
92
|
C1CC2(CC2)[C@@H]3[C@@H]1NC(=O)C3
|
|
|
93
|
c1ccc(cc1)C#Cc2cccs2
|
|
|
94
|
C1CCC(CC1)CON2CCCC2C#N
|
|
|
95
|
|
|
|
96
|
C1C2CC3CC1CC(C2)C3=O
|
|
|
97
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
98
|
c1ccc(cc1)C#CC#CC#N
|
|
|
99
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
|
100
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
101
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
102
|
COC(=O)C[C@@H]1Cn2c(ncn2)N=C1O
|
|
|
103
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
104
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
|
105
|
c1ccc(cc1)NCn2cncn2
|
|
|
106
|
CCC/C=C/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1
|
|
|
107
|
Cc1cs/c(=NC23CC4CC(C2)CC(C4)C3)/o1
|
|
|
108
|
c1ccc(cc1)OCc2nnco2
|
|
|
109
|
C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](N2S(=O)(=O)N1)O)O)O)O
|
|
|
110
|
C1CCC2C(C1)[C@@H]3CC[C@H]2NC3=O
|
|
|
111
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
|
112
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
113
|
|
|
|
114
|
|
|
|
115
|
CCC(=O)N/C=C/c1ccccc1
|
|
|
116
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
|
117
|
C1C[C@@]23CC=CC[C@]2(C1)NC3=O
|
|
|
118
|
c1ccc(cc1)CCc2cnccn2
|
|
|
119
|
CC#CCC/C=C(/C)CCO
|
|
|
120
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
121
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
122
|
CC1([C@H]2[C@@H]1[C@@H]3C=C[C@H]2O3)C(=O)OCC=C
|
|
|
123
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
124
|
c1cc(oc1)/C=C/c2ccco2
|
|
|
125
|
C1NC2N(N1)[C@@H]3C[C@](N2)([C@H]4OC[C@@H]3O4)O
|
|
|
126
|
c1ccc(cc1)C(=O)Nn2cccc2
|
|
|
127
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
128
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
129
|
c1ccc(cc1)OCc2ccco2
|
|
|
130
|
|
|
|
131
|
Cc1c(n2c(c1C#N)NCC2)C
|
|
|
132
|
c1nc2c3n1CCN=C3NC=N2
|
|
|
133
|
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
|
|
|
134
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
|
135
|
c1[nH]c(=O)c2c(n1)NC(=O)C2
|
|
|
136
|
Cc1cc(c(c(=O)o1)C#Cc2ccccc2)Cl
|
|
|
137
|
C1C2NC(=O)NC1NC(=O)N2
|
|
|
138
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
139
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
|
140
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
141
|
CC([C@@H]2CC[C@@H](C2)/C1=C/S(=O)(=O)[O-])C
|
|
|
142
|
C=CCOc1ccc(cc1)O
|
|
|
143
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
144
|
CC1=NS(=O)(=O)NC(C1)(C)C
|
|
|
145
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
146
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
147
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
|
148
|
C1CC2N3C1CCC4CCC(N4CC3)CC2
|
|
|
149
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
150
|
|
|
|
151
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
152
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
153
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
154
|
|
|
|
155
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
156
|
C1C[C@@H]2C[C@H]1C[C@@]2(C#N)CL
|
|
|
157
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
158
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
|
159
|
Cc1cc2c(cc1nnc(c(nn2)N)N)C(C)C
|
|
|
160
|
C1COCCC1(CC#N)C#N
|
|
|
161
|
C(/C=C/[C@@](C(F)(F)Br)(F)Cl)O
|
|
|
162
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
163
|
Cc1coc2c1c(=O)[nH]cn2
|
|
|
164
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
165
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
166
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
167
|
c1ccc(cc1)NCCn2cccc2
|
|
|
168
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
|
169
|
COc1ccc(cc1)c2cn3c(s2)ncn3
|
|
|
170
|
CC1=NC(=NC([N-]1)(C(F)(F)F)C(F)(F)F)c2ccccc2
|
|
|
171
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
|
172
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
|
173
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
174
|
C/C(=C/1CCOC1=O)/Nc2[n-]nc(n2)C(F)(F)F
|
|
|
175
|
CC12C(NC(=O)N1)NC(=O)N2
|
|
|
176
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
177
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
178
|
C1CCN(CC1)c2[n-]nnn2
|
|
|
179
|
CN1CCn2ccc3c2c1nc(=O)[nH]3
|
|
|
180
|
c1ccc(cc1)c2ncc(s2)c3ccno3
|
|
|
181
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
|
182
|
CC(=O)O/C=C/c1ccccc1
|
|
|
183
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
184
|
CS(=O)(=O)NC[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
|
185
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
|
186
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
|
187
|
Cc1cc([nH]n1)OCCC#N
|
|
|
188
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
|
189
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
|
190
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
191
|
COC(=O)c1cc-2c(s1)C(=O)c3c2cccc3
|
|
|
192
|
C1CN[C@@](C(=O)N1)(C(F)(F)F)O
|
|
|
193
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
|
194
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
195
|
C1C=C[C@@H]([C@]2([C@@H]1C([C@@]2(F)CL)(F)F)CL)O
|
|
|
196
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
|
197
|
c1ccc(cc1)n2nc(c(n2)N3CCCCC3)C#N
|
|
|
198
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
|
199
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
|
200
|
c1cc(cc2c1cc[nH]2)Cl
|
|
|
201
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
202
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
|
203
|
COc1c2cc[nH]c2[nH]c(=O)n1
|
|
|
204
|
C1CCC(CC1)SC[C@@]2(CCCC=C2)O
|
|
|
205
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
206
|
Cc1c(sc2n1cc(c2)c3ccccc3)C
|
|
|
207
|
c1ccnc(c1)/C=C/c2ccco2
|
|
|
208
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
|
209
|
CC1(CC(=CNC(=O)C1)c2ccccc2)C
|
|
|
210
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
|
211
|
c1ccnc(c1)C#CC2=CCCC2
|
|
|
212
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
|
213
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
214
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
215
|
c1cc(oc1)CNc2nccs2
|
|
|
216
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
|
217
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
|
218
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
|
219
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
|
220
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
221
|
CCOC(=O)[C@@H]1[C@@](C(=NC(=O)N1)[O-])(C)Br
|
|
|
222
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
|
223
|
Cc1cc2nc(nc(n2n1)N)N
|
|
|
224
|
C(C(F)(F)F)OSOCC(F)(F)F
|
|
|
225
|
CC1=CC[C@@H]2C[C@H]1OC2(C)C
|
|
|
226
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
227
|
|
|
|
228
|
C(#N)c1c(c([nH]c1N)Br)C#N
|
|
|
229
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
|
230
|
CCC(=C1N(C(=O)C(=O)O1)CC)CC
|
|
|
231
|
CC12CC3CC(C1)CC(C3)C2
|
|
|
232
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
|
233
|
|
|
|
234
|
Cn1c2c(cn1)NC(=O)NS2(=O)=O
|
|
|
235
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
236
|
C1C[C@H]2[C@@H]3C=C[C@H]([C@@H]1C2=O)O3
|
|
|
237
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
238
|
CCOC1=N[C@@H]2CCCC[C@@H]2N1
|
|
|
239
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
|
240
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
241
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
242
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
|
243
|
c1cn2c(=O)cc([nH]c2n1)[O-]
|
|
|
244
|
c1ccc2c(c1)CNC(=O)CN2
|
|
|
245
|
C[C@@H]1[C@@H](Nn2c(nnn2)N1)C
|
|
|
246
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
|
247
|
C1C2CC3CC1OC(O2)(O3)C(=O)N
|
|
|
248
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
|
249
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
|
250
|
c1c(=O)[nH]c2c(n1)CCCC2
|
|
|
251
|
c1ccc2c(c1)nn(n2)c3cc(n[nH]3)O
|
|
|
252
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
|
253
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
254
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
255
|
c12c(non1)N[C@@H]3[C@@H](N2)NC(=O)N3
|
|
|
256
|
CN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)NC1=O)O
|
|
|
257
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
|
258
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
259
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
260
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
261
|
CCCCn1ccc(=N)cc1
|
|
|
262
|
Cc1c2c(cc([o+]1)c3ccccc3)CCC2
|
|
|
263
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
|
264
|
CC1CC(N(N1)C2=N[C@@]3([C@@](N2)(NC(=O)N3)C)C)C
|
|
|
265
|
C#CCOc1ccc(cc1)F
|
|
|
266
|
c1cc(sc1)C(=O)C[C@@]2(NCCO2)C(F)(F)F
|
|
|
267
|
Cc1c(cco1)/C=C/C=C(C)C
|
|
|
268
|
CCCCN1CCC(=NC1=O)N
|
|
|
269
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
|
270
|
c1nc(c2c(n1)[nH]c(n2)[O-])N
|
|
|
271
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
|
272
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
273
|
c1ccc(cc1)/C=C/c2csnn2
|
|
|
274
|
c1ccc(cc1)CNc2c(non2)O
|
|
|
275
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
|
276
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
|
277
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
|
278
|
C1C=CN(C(=O)N1CO)CO
|
|
|
279
|
C1CC(=C(N[C@@H]1C(F)(F)F)[O-])C(=O)[O-]
|
|
|
280
|
CC(C)(C)OC(=O)n1cc2c(c1)CC(C2)C(=O)[O-]
|
|
|
281
|
CC1CCC(CC1)(C#N)NC
|
|
|
282
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
|
283
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
284
|
CCC(=O)C#Cc1ccccc1
|
|
|
285
|
c1ccc(cc1)CNn2cnnn2
|
|
|
286
|
c1cc(c2c(c1)non2)CO
|
|
|
287
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
288
|
C[C@@H]1[C@@H]([C@H]([C@@H](C(=N1)CO)O)O)O
|
|
|
289
|
c1ccc(cc1)OCn2ccc(=O)cc2
|
|
|
290
|
c1cnn(c1)c2ccc(cc2)c3cnco3
|
|
|
291
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
292
|
C1[C@@H]2C[C@@]([C@H]1C=C2)(C#N)Cl
|
|
|
293
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
294
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
295
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
296
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
297
|
CCC/C=C/c1ccc(s1)C
|
|
|
298
|
C1CCC(CC1)c2[n-]nnn2
|
|
|
299
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
300
|
COC1(c2c(non2)CC[C@@H]1O)OC
|
|
|
301
|
Cn1c(=O)c(c(cn1)SCc2ccco2)Cl
|
|
|
302
|
CC(=O)N1CCC(=CC1)c2ccc(cc2)O
|
|
|
303
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
|
304
|
c1ccc(cc1)CS(=O)(=O)[O-]
|
|
|
305
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
306
|
c1ccc(cc1)n2nc3c(n2)C(=O)CCC3
|
|
|
307
|
CC1([C@@H]2CC[C@]13CS(=O)(=O)N=C3C2)C
|
|
|
308
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
|
309
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
310
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
|
311
|
|
|
|
312
|
c1ccc(cc1)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
313
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
|
314
|
Cc1cc(no1)CSc2ccccn2
|
|
|
315
|
|
|
|
316
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
317
|
C1C[C@@]2(CC(=O)OC2)CNC1=O
|
|
|
318
|
CN(CCn1cccn1)c2ccccc2
|
|
|
319
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
320
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
|
321
|
CCC/C=C/[C@@H](CC=C)OCC
|
|
|
322
|
C1[C@@H]2C=C[C@H]1C([C@@]2(C(F)(F)F)F)(F)F
|
|
|
323
|
Cn1cccc1CCn2ccnc2
|
|
|
324
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
|
325
|
c1ccc(cc1)C(=O)C(O)O
|
|
|
326
|
c1c(c(n[nH]1)n2cnnc2)N
|
|
|
327
|
CC(=O)C#C/C=C/c1ccccc1
|
|
|
328
|
CC1(C=CN(C=C1)CCC(=O)OC)C
|
|
|
329
|
Cc1[nH]c2cc(ccc2n1)F
|
|
|
330
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
331
|
CCO/C=C/[C@@](CNC(=O)C1CC1)(C(F)(F)F)O
|
|
|
332
|
CC(C)(C)[S@@](=O)OC12CC3CC(C1)CC(C3)C2
|
|
|
333
|
c1c[nH]c2c1sc(c2)C(=O)[O-]
|
|
|
334
|
c1ccc(cc1)SCn2cncn2
|
|
|
335
|
Cc1c(c(n[nH]1)n2ccnc2)N
|
|
|
336
|
C1CCC(CC1)OCCC#N
|
|
|
337
|
COc1ccc(cc1)n2cc3ccsc3c2
|
|
|
338
|
c1cc2cccc3c2c(c1)C(=O)N3
|
|
|
339
|
COC(=O)C#CC1=CCCCC1
|
|
|
340
|
CCCCc1c2c(n[nH]1)CC(CC2=O)(C)C
|
|
|
341
|
CC1(OC(=CC(=O)O1)CC(=O)c2ccco2)C
|
|
|
342
|
C/C=C/C=C/1C=Cc2c1c(=O)occ2C(=O)OC
|
|
|
343
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
344
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
345
|
C1C[C@@H]2C[C@H]1[C@@H]3C2=Cc4c([nH]c(=O)s4)S3
|
|
|
346
|
Cc1ccc(c(c1)c2cc(on2)C(F)F)O
|
|
|
347
|
c1ccc2c(c1)[C@@H](C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
|
|
|
348
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
|
349
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
350
|
c1ccc(cc1)COc2c(non2)N
|
|
|
351
|
c1ccc(cc1)CNc2ncco2
|
|
|
352
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
|
353
|
|
|
|
354
|
CCN(CC)CC#CC1=CCCC1
|
|
|
355
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
356
|
CN1C=C[C@@H]2[C@@H](C[C@@H]2C1=O)C#N
|
|
|
357
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
|
358
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
359
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
360
|
c1ccc(cc1)NCc2cccs2
|
|
|
361
|
c1c[nH]c2c1c(ncc2)Cl
|
|
|
362
|
c1c2c(nc(n1)N)SCC2
|
|
|
363
|
|
|
|
364
|
Cc1nc(cs1)C#C[C@@H]2C=CC=NC2=O
|
|
|
365
|
CC1=N[C@@](C(=O)O1)(C)NC(=O)C
|
|
|
366
|
CC1([C@@H](C(=C(O1)N)C(=O)N)C2CCC(CC2)CL)C
|
|
|
367
|
|
|
|
368
|
c1cc(cc(c1)OCc2cscn2)N
|
|
|
369
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
370
|
|
|
|
371
|
c1cc(oc1)C(=O)N[C@@H]2CC(=O)c3c2ccs3
|
|
|
372
|
CC1C(CN2C1C(=O)[NH]CN2)[O-]
|
|
|
373
|
c1cc2c(cc1F)C(=O)NC2
|
|
|
374
|
c1cc([nH]c1)C(=O)c2ccco2
|
|
|
375
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
376
|
CC1=C(C(=O)O[C@@H]1C(Cl)(Cl)Cl)[O-]
|
|
|
377
|
c1cc(sc1)[C@H]2C=N[C@@H]3C=CC=C[C@@H]3N2
|
|
|
378
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
|
379
|
Cc1cccc(c1)NC2=NCCO2
|
|
|
380
|
C/C(=C(/C)OC(=O)C)/NC(=O)C
|
|
|
381
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
|
382
|
C[C@@H](Cc1ccco1)NC(=O)C
|
|
|
383
|
c1c[nH]c2c1cc3c(c2)OCO3
|
|
|
384
|
c1cc(ncc1C#N)NCc2nccs2
|
|
|
385
|
c1csc2c1[nH]c(=O)oc2=O
|
|
|
386
|
C#CCCO[C@@H]1CCCCO1
|
|
|
387
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
|
388
|
C=CCOCCOCCC#N
|
|
|
389
|
CCCCCCC1CN[NH]N1
|
|
|
390
|
|
|
|
391
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
392
|
CCS(=O)(=O)NCCn1cccn1
|
|
|
393
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
394
|
c1cc(cnc1)[C@@]2(CCC=C2)O
|
|
|
395
|
c1cc(sc1)c2ccn[nH]2
|
|
|
396
|
[H]/N=C/NC(=[NH2+])C(C(=N1)[O-])(CC)CC
|
|
|
397
|
C/C=C/C=C/C1=CC(=O)CCN1
|
|
|
398
|
c1c(c2c(s1)nns2)C#N
|
|
|
399
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
|
400
|
CCCC[C@@]1(CN(C(=O)OC1)C)CC
|
|
|
401
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
|
402
|
Cc1c(c(=O)[nH]c(n1)[O-])C#N
|
|
|
403
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
404
|
|
|
|
405
|
CC1(COC(=N1)c2ccco2)C
|
|
|
406
|
C1S(=O)(=O)NC(=O)NS1(=O)=O
|
|
|
407
|
c1ccnc(c1)SCc2ccco2
|
|
|
408
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
409
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
|
410
|
C1CCC(C1)(C#N)NCCO
|
|
|
411
|
CCCCC1=NC2(CCCC2)C(=O)C1
|
|
|
412
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
413
|
Cc1c(c(=O)n([nH]1)C)CCO
|
|
|
414
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
415
|
C1COCCN1c2[n-]nnn2
|
|
|
416
|
CC(=O)OCc1ccccc1
|
|
|
417
|
|
|
|
418
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
419
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
|
420
|
c1ccc(cc1)c2nc3c(o2)c(nc(n3)N)[O-]
|
|
|
421
|
C1CCC2C(C1)[C@@H]3C[C@]2(C=C3)CO
|
|
|
422
|
c1ccc(cc1)/C=C/c2cccs2
|
|
|
423
|
C=CC#CCN1CCOCC1
|
|
|
424
|
COC(=O)c1cc2c(s1)c(n[nH]2)N
|
|
|
425
|
C1=C[C@@H]2[C@H](C=C1)[C@@H]3C=CC=C[C@H]2C3=O
|
|
|
426
|
CC(=O)N1Cc2c([nH]cn2)C[C@H]1C(=O)OC
|
|
|
427
|
c1cc2cn[nH]c2c(c1)S(=O)(=O)[O-]
|
|
|
428
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
429
|
|
|
|
430
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
431
|
c1ccc2c(c1)CC(=C2)n3ccnc3
|
|
|
432
|
CNc1ccc(cc1F)C#N
|
|
|
433
|
Cc1nc(cs1)c2ccc3c(c2)CCN3
|
|
|
434
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
|
435
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
436
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
|
437
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
|
438
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
439
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
440
|
CCC/C=C/C2=C(C=CCC2)C(=O)O1
|
|
|
441
|
CCCc1nncn1NC(=O)OCC
|
|
|
442
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
|
443
|
C1CCc2c([nH]c(=O)[nH]2)CC1
|
|
|
444
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
445
|
c1c2c(cc3c1OCO3)nn[nH]2
|
|
|
446
|
C1CC(OC1)CNC2=NCCO2
|
|
|
447
|
CC1(C(=O)CCC1=O)CC#C
|
|
|
448
|
CC1([C@@H]2CC[C@H]1[C@@H]3[C@@H]2CS(=O)(=O)N3)C
|
|
|
449
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
|
450
|
Cc1ccc(c(c1)C)c2cc3n(c2)nc(n3N)C
|
|
|
451
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
452
|
CCO[C@@]1(CC=CC=C1)I
|
|
|
453
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
454
|
c1ccc(cc1)c2csc(n2)C(C#N)C#N
|
|
|
455
|
|
|
|
456
|
CN(C)C1N/C(=[NH+]/CC2CCCO2)/SS1
|
|
|
457
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
458
|
C1CC2CCC1COCOC2
|
|
|
459
|
c1cc(oc1)c2csc(n2)CC#N
|
|
|
460
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
461
|
C1CNC(=O)[C@@H]2[C@H]1CNC2=O
|
|
|
462
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
463
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
|
464
|
c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O
|
|
|
465
|
CC1=Nn2c(nnc2N=C(C1)O)N
|
|
|
466
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
467
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
468
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
|
469
|
c1ccc(cc1)C2=NCCNC(=O)C2
|
|
|
470
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
471
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
|
472
|
c1ccc(cc1)c2nc3[nH]ncn3n2
|
|
|
473
|
CC(=O)Nc1c(c(cs1)C2=C[C@@H]3[C@@H](C=C2)OCO3)C#N
|
|
|
474
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
|
475
|
c1c(cc(nc1C(=O)N)C(=O)N)[O-]
|
|
|
476
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
477
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
|
478
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
479
|
c1ccc(cc1)CNc2cnoc2
|
|
|
480
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
|
481
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
482
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
|
483
|
Cc1c2c(on1)C=C(CC2)c3ccccc3
|
|
|
484
|
C[C@@H]1C=C(C=C(NC1=O)C)C
|
|
|
485
|
CCOC(=O)[C@@H]1C=C1C(C)(C)O
|
|
|
486
|
c1ccc(cc1)C#CCS(=O)(=O)[O-]
|
|
|
487
|
c1ccc(cc1)c2ccc(nn2)n3cnnc3
|
|
|
488
|
CC(C)(C)OC(=O)n1cc2c(c1)C(=O)OCC2
|
|
|
489
|
C[C@H]1[C@H]2CC[C@H](O2)[C@@]([C@@H]1O)(C)Cl
|
|
|
490
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
491
|
CC(=O)NCCn1cccc1
|
|
|
492
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
|
493
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
494
|
CC1CCC2C(C1)NNS2
|
|
|
495
|
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2[C@H]4CO[C@@H](C3=O)O4
|
|
|
496
|
CC(C)(C)[C@@H]1CCC(=CC1)n2cncn2
|
|
|
497
|
C[C@@H]1C(=C)[C@]2(C(=O)O[C@@]1(C(=O)O2)C)CO
|
|
|
498
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
|
499
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
|
500
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
501
|
c1cc(oc1)CNn2cnnc2
|
|
|
502
|
C#C[C@@]1(C=C[C@H]2CO[C@@H]1O2)O
|
|
|
503
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
504
|
CC1=CC(=O)Nc2cncnc2N1
|
|
|
505
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
506
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
|
507
|
C/C=C/[C@@H]1CC(=CC(=O)O1)OC
|
|
|
508
|
|
|
|
509
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
|
510
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
|
511
|
|
|
|
512
|
COC(=O)CC1=C(NC(=NC1)N2CCCC2)O
|
|
|
513
|
CC1=CC(=O)[C@H](C(=N1)SC)C#N
|
|
|
514
|
CS(=O)(=O)N[C@@H]1CCc2c1cccc2
|
|
|
515
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
|
516
|
CCOC1=NC(=CC(=C[C@@H]1C)C)C
|
|
|
517
|
c1cc2c(c(c1)F)c(no2)N
|
|
|
518
|
C=CC[C@@H]1C(=NC(=NC1=O)N)O
|
|
|
519
|
CCN1CCC2C1NCNC2N
|
|
|
520
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
|
521
|
CCCN(CCC)CC#CC1=CC=CCC1
|
|
|
522
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
|
523
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
524
|
CCNSc1ccccc1
|
|
|
525
|
CC(=O)O[C@@H]1CC([C@H](O1)OCc2ccccc2)(F)F
|
|
|
526
|
[H]/N=c/n(ccs1)/N=N/c2ccccc2
|
|
|
527
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
528
|
C1C2C(CC3C1OCO3)N/C(=C/4C=CC=[NH+]4)/C=C2O
|
|
|
529
|
Cc1c(c(on1)N)[C@@](c2nccn2C)(C(F)(F)F)O
|
|
|
530
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
531
|
CC1CCC(N1N2C(NNN2)N)C
|
|
|
532
|
CC(=CCC/C(=C/CO)/C)C
|
|
|
533
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
534
|
CC(=C)[C@@](C)(C#C)OCCC#N
|
|
|
535
|
CC1(OC[C@@H](O1)CC(=O)N)C
|
|
|
536
|
CC1C(CNO1)/C=C/C2CCON2
|
|
|
537
|
CC1=C(CCOC1)CC(=O)N
|
|
|
538
|
c1nnc2n1NC(=O)CCS2
|
|
|
539
|
Cc1ccc(o1)SCc2ccco2
|
|
|
540
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
541
|
CCOC1=CC(=C(C(C1)(C)C)C(=O)OCC)C
|
|
|
542
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
543
|
CC1(NC(=O)[C@@]2(O1)C[C@@H](C=C2CO)O)C
|
|
|
544
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
545
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
546
|
c1cncc2c1c(cc(=O)o2)[O-]
|
|
|
547
|
CC(=O)N[C@@H]1C[C@@H](C=C1)C(=O)OC
|
|
|
548
|
CCn1c(ccn1)[C@@H]2CCCN2C(=O)NCC(=O)OC
|
|
|
549
|
CC1=C(NC(=O)[C@@H](NC1=O)c2ccccc2)C
|
|
|
550
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
|
551
|
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)OC(=O)C)OC(=O)C
|
|
|
552
|
CC[C@H]1[C@H](C(=O)N1)NC(=O)OC
|
|
|
553
|
CC1=CC(=O)O[C@@H]1CC(=O)[O-]
|
|
|
554
|
|
|
|
555
|
|
|
|
556
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
557
|
c1c2c(nc(n1)N)CCCC2=O
|
|
|
558
|
C[C@@]12CC[C@@H](C1(C)C)CC2=C
|
|
|
559
|
|
|
|
560
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
|
561
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
562
|
Cc1nnc(s1)N[C@@]2([C@@H](C(=NC2=O)C)C#N)C(F)(F)F
|
|
|
563
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
564
|
C=CC[C@@]12C[C@@H](C=CC13OCCO3)OC(=O)C2
|
|
|
565
|
c1ccc2c(c1)CCNC(=O)C(=O)N2
|
|
|
566
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
|
567
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
568
|
CC(C)(C)OC(=O)NCC#C
|
|
|
569
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
|
570
|
C[C@@]12CCc3ccccc3[C@@]1(OC(=O)O2)C
|
|
|
571
|
CS(=O)(=O)N1CCC[C@@H]1C#N
|