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Virtual screening for IDP 3R9U - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
2
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
3
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
4
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
5
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
6
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
7
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
8
|
c1ccc2c(c1)nc3n2-c4ccc(cc4CS3)N
|
|
|
9
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
|
10
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
11
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
12
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
13
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
14
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
15
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
16
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
17
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
18
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
|
19
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
20
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
21
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
|
22
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
|
23
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
|
24
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
25
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
26
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
27
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
28
|
c1cc2nnc(n2cc1C(F)(F)F)c3nccs3
|
|
|
29
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
|
30
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
31
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
32
|
c1ccc2c(c1)c(c[nH]2)c3nn4cnnc4s3
|
|
|
33
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
|
34
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
35
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
36
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
37
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
|
38
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
39
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
40
|
|
|
|
41
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
|
42
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
43
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
|
44
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
45
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
46
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
47
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
48
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
|
49
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
|
50
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
51
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
52
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
53
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
54
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
55
|
c1ccc(cc1)OCCn2ccnc2
|
|
|
56
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
57
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
|
58
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
59
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
|
60
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
61
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
62
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
63
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
|
64
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
65
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
|
66
|
|
|
|
67
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
68
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
|
69
|
CNC(=O)C=NNS/C1=C/2C(=O)N(N=N2)c3ccccc3
|
|
|
70
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
71
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
72
|
|
|
|
73
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
74
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
75
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
76
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
77
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
78
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
79
|
Cn1cc(cn1)c2ccncn2
|
|
|
80
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
81
|
Cc1cc(no1)c2c(c(no2)C)CO
|
|
|
82
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
83
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
84
|
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
|
|
|
85
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
|
86
|
Cc1nc(nc(n1)N)c2ccccc2
|
|
|
87
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
|
88
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
|
89
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
|
90
|
c1ccc(cc1)CNc2cnccn2
|
|
|
91
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
92
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
93
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
|
94
|
c1ccc(cc1)CCOn2ccnc2
|
|
|
95
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
96
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
97
|
c1ccc(cc1)[C@@H]2Cn3c(nnn3)-c4ccccc4O2
|
|
|
98
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
99
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
100
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
|
101
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
102
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
|
103
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
104
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
|
105
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
|
106
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
107
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
108
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
109
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
|
110
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
111
|
c1cc(ncc1C#N)Sc2nccs2
|
|
|
112
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
113
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
114
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
115
|
Cc1c(c(=O)[nH]c(=O)[nH]1)c2cccc(c2)n3cccn3
|
|
|
116
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
|
117
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
118
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
119
|
|
|
|
120
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
121
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
122
|
|
|
|
123
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
124
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
|
125
|
|
|
|
126
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
127
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
128
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
129
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
130
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
131
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
132
|
Cc1cc-2nc3ccc(cc3oc2cc1=[N+](C)C)N
|
|
|
133
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
|
134
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
135
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
136
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
137
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
138
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
139
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
|
140
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
141
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
142
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
143
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
144
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
145
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
|
146
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
147
|
|
|
|
148
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
|
149
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
150
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
151
|
c1ccnc(c1)CCSc2nncs2
|
|
|
152
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
153
|
c1ccc2c(c1)N(CCS2)c3ccc(s3)C(=O)[O-]
|
|
|
154
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
155
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
|
156
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
157
|
c1ccc2c(c1)c(c3c(n2)CCC3)n4cccn4
|
|
|
158
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
159
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
160
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
|
161
|
CC1(C=C(c2cc(ccc2C1=O)Br)c3ccccn3)C
|
|
|
162
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
163
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
164
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
165
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
166
|
Cn1c2c(cn1)c(cc(n2)c3ccco3)C(F)F
|
|
|
167
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
168
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
169
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
|
170
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
|
171
|
c1cc(cc(c1)OCc2cscn2)N
|
|
|
172
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
|
173
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
174
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
175
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
|
176
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
177
|
CC1CC(ON1)C(=O)C2CCCCC2
|
|
|
178
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
179
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
|
180
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
|
181
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
182
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
183
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
184
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
185
|
c1cc(sc1)C2=NS(=O)(=O)NC(=C2)C(F)(F)F
|
|
|
186
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
|
187
|
CC1CC(C2C(C1)NN3C(NNC3S2)C4CCNCC4)C
|
|
|
188
|
C1CCC2C(C1)C3=NC4CCNCC4CN3C2=O
|
|
|
189
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
190
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
191
|
Cc1nnc(o1)Nc2ccccc2
|
|
|
192
|
c1ccc2c(c1)CC3=C(O2)c4ccccc4OC3
|
|
|
193
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
|
194
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
195
|
Cc1cc(cc([o+]1)C)/C=C/c2ccccc2
|
|
|
196
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
197
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
198
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
|
199
|
c1ccc(cc1)COn2cc(cn2)I
|
|
|
200
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
201
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
|
202
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
203
|
c1ccc-2c(c1)-c3cccc4c3c2ccc4
|
|
|
204
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
205
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
|
206
|
C=CCn1cc(ccc1=O)c2ccco2
|
|
|
207
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
|
208
|
c1ccc(cc1)CCc2cnccn2
|
|
|
209
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
210
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
211
|
Cc1cc(nc(n1)[N-]C2=NC(=O)C[C@@H]3N2CCNC3=O)C
|
|
|
212
|
C1CC2C(CC1CL)C3C(C(=O)O2)OCCN3
|
|
|
213
|
Cc1[nH]cc(n1)c2ccccc2
|
|
|
214
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
|
215
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
216
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
|
217
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
218
|
Cc1c(sc(n1)NC(=O)C)c2nc(no2)c3ccccc3
|
|
|
219
|
C[C@@H]1CC2=C(CNc3ccccc3N2)C(=O)O1
|
|
|
220
|
c1ccc(cc1)/N=c/n(c(=O)ss2)c3ccccc3
|
|
|
221
|
c1c(cc(nc1C(=O)N)C(=O)N)[O-]
|
|
|
222
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
|
223
|
CCS(=O)(=O)NCCn1cccn1
|
|
|
224
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
225
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
|
226
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
|
227
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
228
|
|
|
|
229
|
c1c[nH]nc1C(=O)NC2CC2
|
|
|
230
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
|
231
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
|
232
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
233
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
234
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
|
235
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
236
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
237
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
238
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
239
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
240
|
c1ccc2c(c1)Cc3cnc4ccccc4c3N2
|
|
|
241
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
242
|
CCC1=Cn2c3ccccc3c4c2c(ccc4)C1
|
|
|
243
|
c1ccc2c(c1)C(=O)O/C(=C/C=CC=CC3=[NH2+])/N2
|
|
|
244
|
|
|
|
245
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
|
246
|
c1cc(oc1)/C=C/c2ccco2
|
|
|
247
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
|
248
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
249
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
250
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
251
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
|
252
|
c1ccc(cc1)Oc2ccccn2
|
|
|
253
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
254
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
255
|
|
|
|
256
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
|
257
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
|
258
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
259
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
260
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
|
261
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
262
|
C1CNC([NH]1)[C@@H]2CCCCN2C(=O)C3CC3
|
|
|
263
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
|
264
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
265
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
266
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
267
|
c1cc(ccc1OC=CNN/C2=C/3C=CC(=O)C=C3[O-])F
|
|
|
268
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
269
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
|
270
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
|
271
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
272
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
|
273
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
274
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
275
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
276
|
c1cc(oc1)CSc2nccs2
|
|
|
277
|
CC1=c2c(=CC(=C3C=CC(=O)C=C3)N1)c4ccccc4oc2=O
|
|
|
278
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
279
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
|
280
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
281
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
282
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
283
|
c1ccnc(c1)/C=C/c2ccco2
|
|
|
284
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
285
|
CC(=O)c1ccc-2c(c1)-c3c2cccc3
|
|
|
286
|
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
|
|
|
287
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
288
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
289
|
c1ccc2c(c1)cc([nH]2)c3nn4cnnc4s3
|
|
|
290
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
291
|
CNC(=O)N(c1ccccc1)C2=NCCCCC2
|
|
|
292
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
293
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
294
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
295
|
Cc1nnc(s1)Sc2cc(=O)oc3c2cccc3
|
|
|
296
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
297
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
298
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
299
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
300
|
Cc1c2c(on1)C=C(CC2)c3ccccc3
|
|
|
301
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
|
302
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
303
|
CC1=NC(=O)[C@@H](C=C1c2ccc3nccn3c2)C#N
|
|
|
304
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
305
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
306
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
|
307
|
c1ccc(cc1)c2cc(c(o2)n3cccc3)C#N
|
|
|
308
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
309
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
310
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
|
311
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
312
|
|
|
|
313
|
CNC(=O)OCC#CCOC(=O)NC
|
|
|
314
|
Cc1cc(no1)CSc2ccccn2
|
|
|
315
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
316
|
Cc1cnc(o1)COc2ccccc2
|
|
|
317
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
318
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
|
319
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
|
320
|
CN(CCn1cccn1)c2ccccc2
|
|
|
321
|
CS(=O)(=O)N[C@@H]1CC(=O)N(C1)c2ccccc2
|
|
|
322
|
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
|
|
|
323
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
|
324
|
c1cc2c(cc1N)c3c(o2)CCC3
|
|
|
325
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
326
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
|
327
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
328
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
329
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
|
330
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
331
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
|
332
|
c1ccc(cc1)/[NH+]=c/2cc(nc3n2cccc3)Cl
|
|
|
333
|
Cc1nc(no1)c2cccc(c2)S(=O)(=O)NCC(=O)[O-]
|
|
|
334
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
|
335
|
|
|
|
336
|
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
|
|
|
337
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
338
|
c1ccc(cc1)S(=O)(=O)C2=Cc3ccccc3C2
|
|
|
339
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
340
|
C1CCC2C(C1)C(=C3CC4=CC(=O)C=CC4=C3N2)CL
|
|
|
341
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
342
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
343
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
344
|
CC1C2C(ON1)C[C@@H](CC(=N2)C)C3CCCCC3O
|
|
|
345
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
346
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
|
347
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
348
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
|
349
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
|
350
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
351
|
[H]/N=C/1NC(=C2C(=Nc3ccc(nc3S2)OC)[N-]1)N
|
|
|
352
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
|
353
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
|
354
|
CCN1C=CC(=C2N=C3CCCCC3=N2)C4C1CCCC4
|
|
|
355
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
356
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
357
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
|
358
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
|
359
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
360
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
361
|
CCOC(=O)C1=C(Sc2ccccc2C1)NC(=O)C
|
|
|
362
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
|
363
|
C1CCC2(CC1)CNC(=O)O2
|
|
|
364
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
|
365
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
366
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
|
367
|
|
|
|
368
|
CCOC(=O)c1nccnn1
|
|
|
369
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
370
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
371
|
c1ccc2c(c1)ccc3c2[C@@H]4CC[C@H](O3)O4
|
|
|
372
|
c1cc(ncc1C#N)NCc2nccs2
|
|
|
373
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
374
|
c1cc(oc1)c2c(sc3c2c(c(s3)C#N)N)C#N
|
|
|
375
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
376
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
377
|
Cc1cc(=O)oc2c1cc(c(c2C)O)c3ccn[nH]3
|
|
|
378
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
379
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
|
380
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
381
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
382
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
383
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
384
|
c1c(cc2c3c1occ3CC(=O)O2)O
|
|
|
385
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
386
|
c1cc(oc1)C(=O)N[C@@H]2CC(=O)c3c2ccs3
|
|
|
387
|
C1CCC(=C2CCC3=C2O[C@@]4(CCC[C@@H]4C3)O)C1
|
|
|
388
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
|
389
|
c1ccn(c1)c2c(c(c(o2)c3cccs3)C#N)c4cccs4
|
|
|
390
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
391
|
c1ccc2c(c1)c3c(o2)c(c4c(n3)CCS4)c5ccco5
|
|
|
392
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
393
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
394
|
COC1=CC=C2[C@@H](N1)Sc3c(=O)[nH]c(nc3N2)N
|
|
|
395
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
396
|
c1ccc(cc1)Sc2nccs2
|
|
|
397
|
c1cc(sc1)c2cc(c(nc2c3nccs3)[O-])C#N
|
|
|
398
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
399
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
400
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
401
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
402
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
|
403
|
CCc1cnc([nH]1)NC(=O)OC(C)(C)C
|
|
|
404
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
|
405
|
c1ccc(cc1)C2=C(C=NC(=C3C=CC(=O)C=C3)N2)c4cnccn4
|
|
|
406
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
407
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
408
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
|
409
|
CC1(Oc2cc(oc(=O)c2C(=O)O1)N3CCOCC3)C
|
|
|
410
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
411
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
|
412
|
CCOC(=O)C1=NCc2c1cccc2
|
|
|
413
|
c1ccc-2c(c1)-c3cccc4c3c2cnc4
|
|
|
414
|
Cc1c(cc2c(n1)sc(=O)[nH]2)c3ccncc3
|
|
|
415
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
416
|
|
|
|
417
|
Cc1cc([nH]n1)OCCC#N
|
|
|
418
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
|
419
|
CN1CCC(=CC1)C2=NC=CC2
|
|
|
420
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
421
|
c1cc(ccc1NC(=O)c2cc(=O)[nH+]c(s2)N)F
|
|
|
422
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
|
423
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
424
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
425
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
426
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
427
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
|
428
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
429
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
|
430
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
431
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
432
|
c1ccc(cc1)C2=Nc3ccccc3OC2
|
|
|
433
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
434
|
Cc1nc(no1)CSc2nncs2
|
|
|
435
|
c1cnccc1n2cc(cn2)N
|
|
|
436
|
CC1=C2C=CC=C[C@@H]2c3nc4ccc(cc4n3N1)Cl
|
|
|
437
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
438
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
439
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
440
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
441
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
|
442
|
c1cncc(c1Sc2nnns2)S(=O)(=O)N
|
|
|
443
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
444
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
445
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
446
|
Cn1c(cc(c1c2ccsc2)c3ccsc3)c4cccs4
|
|
|
447
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
|
448
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
449
|
|
|
|
450
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
|
451
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
452
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
|
453
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
454
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
|
455
|
CC1=NC2CCCCC2N[C@@H](C1)C3CCOC3
|
|
|
456
|
C1CCC(CC1)C2C(C3CNCCC3O2)C#N
|
|
|
457
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
|
458
|
|
|
|
459
|
CCn1c2ccccc2c3c(c1=O)C(=Nc4ccccc4O3)C
|
|
|
460
|
Cc1cc(c2cccc(c2n1)O)n3cccn3
|
|
|
461
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
462
|
|
|
|
463
|
c1cc2c(cc1N)c3c(c(=O)o2)NCCC3
|
|
|
464
|
Cc1nnc(s1)[C@@H]2CCCN(C2)C(=O)C
|
|
|
465
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
466
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
467
|
CC1=C(C(=O)N(CN1C)c2ccccc2)N(C)C
|
|
|
468
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
|
469
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
470
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
471
|
|
|
|
472
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
473
|
Cc1ccc2c(c1)SC=C(O2)c3ccccc3
|
|
|
474
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
|
475
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
476
|
CCCCCCC1CN[NH]N1
|
|
|
477
|
c1ccc2c(c1)N(CCO2)c3ccc(s3)C(=O)[O-]
|
|
|
478
|
CSc1c2c(c(s1)C(=O)[O-])CCC=C2
|
|
|
479
|
CSc1nnc(s1)CN2CCSc3c2cccc3
|
|
|
480
|
COc1c(cc2c-3c1COc4c3c(cc(c4)O)CC2)O
|
|
|
481
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
482
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
483
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
484
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
485
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
|
486
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
487
|
c1cc2c(c3c1[nH]cn3)c(c(cn2)c4[n-]nnn4)O
|
|
|
488
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
489
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
490
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
491
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
492
|
CC[C@@H]1Nc2ccccc2N1c3ccc(cc3)Cl
|
|
|
493
|
C1CCC(CC1)NSC2CCCCC2
|
|
|
494
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
495
|
Cc1cccnc1NC(=O)NC2(CCC2)c3nc(on3)C
|
|
|
496
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
|
497
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
498
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
499
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
|
500
|
|
|
|
501
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
502
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
503
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
504
|
c1cc(oc1)c2cnnn2c3ccc(cc3)N
|
|
|
505
|
|
|
|
506
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
507
|
c1cc2c(nc1)NCCC(=O)N2
|
|
|
508
|
c1ccc2c(c1)c3ccc(cc3o2)n4ncnn4
|
|
|
509
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
510
|
c1ccc(cc1)C2=Nc3ccccc3NC=C2
|
|
|
511
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
512
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
513
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
514
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
515
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
516
|
CCOC(=O)c1cc2c3ccccc3oc2s1
|
|
|
517
|
COc1ccc(cc1)c2csc3c2-n4cccc4C3=O
|
|
|
518
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
519
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
520
|
c1cc2=CC=CNc2c3c1=CC=CN3
|
|
|
521
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
522
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
523
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
|
524
|
c1ccc(cc1)S[C@@H](c2ccco2)N3CCCC3
|
|
|
525
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
526
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
527
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
528
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
|
529
|
C[C@@H](C(=O)N1CCCS1(=O)=O)Oc2ccc(cc2)C#N
|
|
|
530
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
|
531
|
c1cc2c(cc1N)COCO2
|
|
|
532
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
533
|
CCCc1nncn1NC(=O)OCC
|
|
|
534
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
|
535
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
536
|
Cc1nc(on1)CN2CCSc3c2cccc3
|
|
|
537
|
Cc1cc2n(c3ccccc3n2c1)C
|
|
|
538
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
|
539
|
Cc1cc(=O)c2c3c4ccccc4ccc3sc2o1
|
|
|
540
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
541
|
Cn1c(nnc1SC)Cn2c3ccccc3sc2=O
|
|
|
542
|
c1ccc(cc1)S[C@@H]2c3ccccc3C(=O)O2
|
|
|
543
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
544
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
545
|
c1ccc2c(c1)n(c(=O)o2)Cc3ccon3
|
|
|
546
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
547
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
548
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
549
|
c1cc(ccc1C2=CC=NS(=O)(=O)N2)Cl
|
|
|
550
|
|
|
|
551
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
552
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
|
553
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
554
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
|
555
|
Cc1cccc(c1)NC2=NCCO2
|
|
|
556
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
|
557
|
c1ccnc(c1)Nc2cccs2
|
|
|
558
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
|
559
|
CCOC(=O)c1coc(n1)c2ccc(cc2)O
|
|
|
560
|
Cc1csc(=O)n1CCn2cc(ccc2=O)C(F)(F)F
|
|
|
561
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
562
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
|
563
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
564
|
c1cc2cccc3c2c(c1)C4=NS(=O)(=O)N=C34
|
|
|
565
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
566
|
Cc1c(non1)NCNc2c(non2)C
|
|
|
567
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
568
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
569
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
570
|
CN1CCc2c1cc(c3c2N(CC3)C)c4ccco4
|
|
|
571
|
CCN1c2cscc2S(=O)(=O)N(C1=O)Cc3ccccn3
|
|
|
|