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Virtual screening for IDP 3Q6D - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
2
|
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
|
|
|
3
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
4
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
5
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
6
|
CCc1nnc(o1)COC(=O)cc([n-]s/c2=NC)C
|
|
|
7
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
8
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
9
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
10
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
11
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
12
|
c1cc(ncc1C#N)Sc2nccs2
|
|
|
13
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
14
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
15
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
16
|
Cn1c(ncn1)c2csc(n2)c3ccncc3
|
|
|
17
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
18
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
19
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
20
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
21
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
22
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
23
|
|
|
|
24
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
25
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
26
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
27
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
28
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
29
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
|
30
|
c1cc(oc1)c2csc3c2c(=O)[nH]cn3
|
|
|
31
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
32
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
33
|
Cc1c2nc3ccccc3n2c(=O)[nH]n1
|
|
|
34
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
|
35
|
c1cnnc2c1-c3c(non3)CC2
|
|
|
36
|
c1ccc(cc1)n2nc3ccc4c(c3n2)non4
|
|
|
37
|
Cc1cc(=O)n2c(n1)SCC(=O)N2
|
|
|
38
|
c1ccnc(c1)[S@@](=O)c2cncs2
|
|
|
39
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
40
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
41
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
42
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
43
|
Cn1c2c(cnc(n2)c3cccnc3)c(=O)nc1[O-]
|
|
|
44
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
45
|
Cc1cncc2c1n(n(c2=O)c3ccccc3)C
|
|
|
46
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
47
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
|
48
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
49
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
50
|
C1CC2C(NC1)SC3CNNCC3N2
|
|
|
51
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
|
52
|
c1cc2c(c3c1nncc3)non2
|
|
|
53
|
|
|
|
54
|
c1ccc2c(c1)nc3c(n2)Sc4c(cccn4)O3
|
|
|
55
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
56
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
57
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
58
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
59
|
CCCn1c(n[nH]c1=O)c2cccs2
|
|
|
60
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
61
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
62
|
c1ccnc(c1)n2c(=O)c(=O)[nH]cn2
|
|
|
63
|
Cc1cc(no1)[C@@H]2CCCN2c3ncccn3
|
|
|
64
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
65
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
66
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
67
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
68
|
|
|
|
69
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
70
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
|
71
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
72
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
73
|
Cc1nc(c(c(n1)Cl)NC2=NCCN2C(=O)C)Cl
|
|
|
74
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
75
|
c1ccc2c(c1)nc3n2C(=O)C3
|
|
|
76
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
77
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
|
78
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
79
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
80
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
81
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
|
82
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
83
|
c1ccc2c(c1)c(=O)n3c(n2)ccc(=O)[nH]3
|
|
|
84
|
c1ccc(cc1)n2nc3c(n2)-c4c(non4)CC3
|
|
|
85
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
86
|
Cc1cc(nc2c1c(nn2C)n3c(c(nn3)C#N)N)C
|
|
|
87
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
88
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
89
|
C1CN2C=Nc3c(c(no3)C(=O)[O-])C2=N1
|
|
|
90
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
|
91
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
92
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
93
|
|
|
|
94
|
c1ccc2c(c1)nc(c3n2nnn3)N
|
|
|
95
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
|
96
|
c1ccc(cc1)c2c3c(c(ncn3)[O-])sn2
|
|
|
97
|
c1cnc(c(n1)C(=O)[C@@H]2CCOC2)Cl
|
|
|
98
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
99
|
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
|
|
|
100
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
101
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
102
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
103
|
CCn1c2c(c(=O)n3c1c(cn3)C(=O)[O-])CN(CC2)C
|
|
|
104
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
105
|
Cc1c2c(cc(c(=O)o2)NC(=O)C)c(cn1)CO
|
|
|
106
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
|
107
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
108
|
|
|
|
109
|
c1ccn(c1)C2CCN(CC2)CCC#N
|
|
|
110
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
|
111
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
112
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
113
|
CCOC(=O)c1c([nH]c(=O)s1)c2ccco2
|
|
|
114
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
|
115
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
|
116
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
|
117
|
Cn1cc(cn1)NC(=O)c2cncn2c3ccccc3
|
|
|
118
|
Cc1c(c(sn1)C)Nc2c(c(ncn2)SC)C#N
|
|
|
119
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
120
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
|
121
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
122
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
|
123
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
124
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
125
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
126
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
|
127
|
Cc1c(c(on1)C)c2nc(no2)CN3CCOCC3
|
|
|
128
|
[H]/N=C/1CC(=O)N=C2N1N=C(S2)CCC
|
|
|
129
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
130
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
131
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
|
132
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
133
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
134
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
135
|
|
|
|
136
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
137
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
138
|
CCc1c(nnc(c1C#N)[O-])CC
|
|
|
139
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
140
|
c1cc2c(ccc3c2nno3)c(c1)S(=O)(=O)[O-]
|
|
|
141
|
C[C@@H]1c2nc3ccccc3n2[C@@H](O1)c4ccccc4
|
|
|
142
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
143
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
144
|
CCNC(=O)[C@@H](C)n1cnnc1C#N
|
|
|
145
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
146
|
CN1C2C(C(=O)N(C1=O)C)NC3C4CCCCC4OC3N2
|
|
|
147
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
148
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
149
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
150
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
151
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
152
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
|
153
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
154
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
155
|
Cc1nc-2n(n1)C=COc3c2cccc3
|
|
|
156
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
|
157
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
|
158
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
159
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
160
|
Cc1nnc(s1)[C@@H]2CCCN(C2)C(=O)C
|
|
|
161
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
162
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
163
|
CCn1c2ccccc2nc1c3csnn3
|
|
|
164
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
165
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
166
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
|
167
|
COc1c(nccn1)N2CCC(CC2)NS(=O)(=O)C
|
|
|
168
|
Cn1c2ccccc2n3c1n[nH]c3=O
|
|
|
169
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
170
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
171
|
Cc1cc(n(n1)c2ncccn2)C
|
|
|
172
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
173
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
|
174
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
175
|
COC(=O)c1cc2c(n1C(=O)OC)snn2
|
|
|
176
|
COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
|
|
|
177
|
c1cc(sc1)c2c(c(oc2c3cccs3)N)C#N
|
|
|
178
|
c1cc2c(cc1c3c4ccoc4ccn3)OCCO2
|
|
|
179
|
CSc1nc(c(n1Cc2ccco2)C#N)N
|
|
|
180
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
|
181
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
182
|
|
|
|
183
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
184
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
185
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
186
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
|
187
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
188
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
|
189
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
190
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
|
191
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
192
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
|
193
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
194
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
195
|
CCOc1ccc(cc1)N2C(=O)CN=C3C2=NCCC3
|
|
|
196
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
197
|
Cc1c2c(c(cn1)CO)COC(N2)(C)C
|
|
|
198
|
c1cc(oc1)CNc2nnns2
|
|
|
199
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
200
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
201
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
|
202
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
203
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
204
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
205
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
|
206
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
207
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
208
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
209
|
Cn1c(=O)c(c(cn1)Cl)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
210
|
c1cnc(nc1c2nccs2)N
|
|
|
211
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
212
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
|
213
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
214
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
215
|
Cc1c2c(on1)COc3ccccc3C(=O)C2
|
|
|
216
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
|
217
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
218
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
219
|
c1ccnc(c1)SCCn2cccn2
|
|
|
220
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
|
221
|
c1ccc(cc1)C2=C(NC(=O)CC2)c3ccccc3
|
|
|
222
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
223
|
c1c2c(n[nH]c1=O)CCCC2
|
|
|
224
|
CN(C)c1nnnn1c2ncccn2
|
|
|
225
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
226
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
227
|
Cc1[nH]c(=O)c2c3c(c(=O)oc2n1)nns3
|
|
|
228
|
CCc1nnc(c2n1c(nn2)c3ccc(cc3)F)[O-]
|
|
|
229
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
230
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
231
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
232
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
233
|
Cn1cc(cn1)c2cnccn2
|
|
|
234
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
235
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
|
236
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
237
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
238
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
239
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
240
|
C1CCC(CC1)C2C(=O)OC(=O)[NH]N2
|
|
|
241
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
242
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
|
243
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
244
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
245
|
CC=NC2CCCCC2/C1=C/3C4CCCCC4C(=O)NN3
|
|
|
246
|
c1ccc2c(c1)nc(c3n2ccc3)n4cccc4
|
|
|
247
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
248
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
249
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
250
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
251
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
|
252
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
253
|
C=CCN(Cc1nccn1C(F)F)C2CC2
|
|
|
254
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
255
|
c1nc2c(c(n1)O)nnc(n2)N
|
|
|
256
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
|
257
|
c1ccc2c(c1)c-3nncc3co2
|
|
|
258
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
259
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
260
|
c1cc2c(c(c1)F)ncnc2n3ccnc3
|
|
|
261
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
|
262
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
263
|
c1ccc(cc1)C2OCc3c(non3)CO2
|
|
|
264
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
|
265
|
c1ccc-2c(c1)CSc3c2nc(nc3)N
|
|
|
266
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
267
|
COC(=O)c1c(cc(=O)n2c1CCCCC2)[O-]
|
|
|
268
|
c1nc2c(s1)c(=O)[nH][nH]c2=O
|
|
|
269
|
c1cc2c(nc1C#N)CCCN2
|
|
|
270
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
271
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
272
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
273
|
Cn1c2c(cccn2)nc(c1=O)[NH+]3CCC[C@@H]3C(=O)[O-]
|
|
|
274
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
275
|
Cn1c(c(nnc1=O)c2ccsc2)c3ccsc3
|
|
|
276
|
Cc1c(c2ccccc2/c(=[NH+]/C(=O)C)/o1)C#N
|
|
|
277
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
|
278
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
279
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
280
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
281
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
282
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
283
|
c1ccc2c(c1)ncc(n2)C#N
|
|
|
284
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
285
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
286
|
c1ccc2c(c1)nc3n2C(=O)CC(=N3)[O-]
|
|
|
287
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
288
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
289
|
Cn1c2c([nH]c1=O)nncn2
|
|
|
290
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
291
|
Cc1c2c(n3c(n1)c(cn3)C#N)SCC2
|
|
|
292
|
[H]/N=c/c(cnc2n1ccs2)C#N
|
|
|
293
|
Cc1c-2c(on1)CCc3c2n(nc3C(=O)[O-])C
|
|
|
294
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
295
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
296
|
C1Cc2c3c(nnc4c3c(nn2)CCC4)C1
|
|
|
297
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
|
298
|
c1c(=O)nc2n(n1)C(=O)CS2
|
|
|
299
|
Cc1cc(nc(n1)N2CC(=O)N=C2N)C
|
|
|
300
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
301
|
CC(=CC[C@@]1(c2c(c(c3ccoc3n2)OC)CC[C@@H]1O)OC)C
|
|
|
302
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
303
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
304
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
|
305
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
306
|
c1ccc2c(c1)-n3c(n[nH]c3=O)CS2
|
|
|
307
|
c1cc2c(nc3ccsc3n2c1)N4CCC=CC4
|
|
|
308
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
|
309
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|
|
|
310
|
c1ccc2c(c1)c3c(o2)c(c4c(n3)CCS4)c5ccco5
|
|
|
311
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
312
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
313
|
CCn1c(ccn1)C(=O)n2ccnc2C
|
|
|
314
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
315
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
316
|
C1CN2C(CN1)CNC2CL
|
|
|
317
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
318
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
|
319
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
320
|
Cc1cnc(o1)CSc2ccccc2
|
|
|
321
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
322
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
323
|
CCc1ccc(s1)c2c3c(ncnc3on2)NC
|
|
|
324
|
c1nc2n(n1)C(=O)CC(=N2)[O-]
|
|
|
325
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
|
326
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
327
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
328
|
Cc1c2c(c(oc2ncn1)c3ccco3)c4ccco4
|
|
|
329
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
|
330
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
331
|
COC(=O)c1c2c(n3cnnc3n1)OCC2
|
|
|
332
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
333
|
c1ccc(c(c1)C(=O)[O-])Sc2c(nccn2)Cl
|
|
|
334
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
335
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
336
|
CNc1c2c(nccn2)ncn1
|
|
|
337
|
CC(=O)NCC1CNCCN1
|
|
|
338
|
Cc1ccc(cc1)S(=O)(=O)N=C2NCN(CN2)C
|
|
|
339
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
|
340
|
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
|
|
|
341
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
342
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
343
|
|
|
|
344
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
345
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
346
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
347
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
348
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
349
|
C1=C[C@@]2([C@@H]3[C@@H]([C@H]1O2)C(=NC3=O)[O-])CO
|
|
|
350
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
|
351
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
352
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
353
|
Cc1cnc(nc1c2ncnn2C)N
|
|
|
354
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
|
355
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
|
356
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
357
|
c1ccc2c(c1)c3ccc(cc3o2)n4ncnn4
|
|
|
358
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
359
|
CC1C(NC2C(N1)C(NNC2N)N)C
|
|
|
360
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
|
361
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
|
362
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
363
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
364
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
365
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
366
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
367
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
|
368
|
C1CCC(CC1)C2C(C3CNCCC3O2)C#N
|
|
|
369
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
370
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
371
|
C1CC2C(CC1C3NNC(O3)N)SCN2
|
|
|
372
|
CC1NCC2N1C=CN([C@@H]2O)C(=O)C
|
|
|
373
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
374
|
Cc1nc(n(n1)C(=O)c2cccs2)C
|
|
|
375
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
376
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
377
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
|
378
|
c1cc(cnc1)NCc2csnn2
|
|
|
379
|
CC1C(CC2C(N1)-C3CCCCC3OS2(=O)=O)C(=O)OC
|
|
|
380
|
c1ccc(cc1)C(=O)c2c3n(nn2)CC(=O)OC34CCCCC4
|
|
|
381
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
382
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
383
|
C[C@@H]1C=CN(c2n1ncc2C(=O)[O-])C
|
|
|
384
|
Cc1ccccc1CN(C)Cn2cnnc2C#N
|
|
|
385
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
386
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
387
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
|
388
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
389
|
c1ccc2c(c1)-c3c(sc(n3)N)CS2
|
|
|
390
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
391
|
c1cc2c(cc1F)N=C3[C@H](N2)C(=O)C3=O
|
|
|
392
|
c1ccn(c1)c2c[nH]c(=O)[nH]c2=O
|
|
|
393
|
c1cnnc(n1)c2nccnn2
|
|
|
394
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
|
395
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
396
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
397
|
c1ccc(cc1)n2c3c(cn2)C(=O)CC3
|
|
|
398
|
Cc1ccc(nc1)n2cnnn2
|
|
|
399
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
400
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
401
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
402
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
403
|
Cc1cc(nc(c1C(=O)N)c2cnn(c2)C)C
|
|
|
404
|
c1cc(cc(c1)N)c2c3c(c4n2CCC4)c(=O)[nH]nc3[O-]
|
|
|
405
|
Cc1csc(n1)c2nnc(o2)N
|
|
|
406
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
407
|
Cn1c(=O)c2c3c(c[nH]n3)oc2n(c1=O)C
|
|
|
408
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
|
409
|
c1c(=O)[nH]c(nc1[O-])Nn2cnnc2
|
|
|
410
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
411
|
CN(C)S(=O)(=O)n1cnc(c1c2ccccc2)c3ccccc3
|
|
|
412
|
Cn1c2c(cn1)nc([nH]2)c3ccccc3
|
|
|
413
|
c1ccc(cc1)[C@@H]2CC(=O)[C@@H](c3n2c4ccccc4n3)C#N
|
|
|
414
|
c1cc(nc2c1Nc3c(c(ncn3)N)S2)Cl
|
|
|
415
|
c1cc2c(c3c1noc3)nco2
|
|
|
416
|
Cc1cc(nn2c1nnc2)n3c(nc(n3)N)N
|
|
|
417
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
418
|
c1ccc(cc1)c2c3ccccc3nnn2
|
|
|
419
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
420
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
421
|
CNC(=O)c1c2c(c(=O)oc1N)nns2
|
|
|
422
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
423
|
c1ccc2c(c1)c3noc(=O)n3cn2
|
|
|
424
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
425
|
c1ccc(cc1)[C@@]2(CCn3c4c2cccc4nn3)O
|
|
|
426
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
427
|
c1ccc(cc1)[C@@H]2Cn3c(nnn3)-c4ccccc4O2
|
|
|
428
|
Cc1c(=O)n2c(csc2nn1)c3ccccc3
|
|
|
429
|
c1cnn(c1)CCSc2nncs2
|
|
|
430
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
431
|
c1cn(cn1)Cc2cnc(s2)Cl
|
|
|
432
|
CC(=O)N1Cc2c([nH]cn2)C[C@H]1C(=O)OC
|
|
|
433
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
434
|
C1C(C(=O)[NH]C(=O)O1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
435
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
|
436
|
Cc1c2ccn(c(=O)c2n(n1)C)CC(=O)NC3CC3
|
|
|
437
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(OC(=C3C(=O)[O-])CO)O)O
|
|
|
438
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
|
439
|
CS(=O)(=O)NCCOc1ccccc1
|
|
|
440
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
441
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
442
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
443
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
444
|
c1ccc2c(c1)ncc3n2c(=O)on3
|
|
|
445
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
446
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
|
447
|
c1cnccc1c2ccnc3n2ncc3
|
|
|
448
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
|
449
|
CC1NC(ON1)C2CNCCN2
|
|
|
450
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
451
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(Nc4c(non4)N3)O)O
|
|
|
452
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
|
453
|
c1ccc2c(c1)Cn3c(cnn3)C=N2
|
|
|
454
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
|
455
|
CC(=O)NCc1ccccn1
|
|
|
456
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
457
|
Cc1cccc(n1)n2cc(c(nc2=O)[O-])C#N
|
|
|
458
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
459
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
460
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
461
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
462
|
CCC(=O)OC1=C[C@@H]2[C@@H](C=C1)N(C(=C2C(=O)OCC)C)C
|
|
|
463
|
Cc1nc(on1)CNC(=O)C
|
|
|
464
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
465
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
466
|
CCC(=O)Nc1c(non1)N
|
|
|
467
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
468
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
469
|
Cc1c2ccccc2c(=O)on1
|
|
|
470
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
471
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
472
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
473
|
CC1(c2c([nH]c(=O)s2)Sc3c1sc(n3)[O-])C
|
|
|
474
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
475
|
Cc1ccc(cc1)S(=O)(=O)[C@@H](C#N)c2c(nccn2)Cl
|
|
|
476
|
Cc1cc(no1)c2nnc(n2C)SC
|
|
|
477
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
478
|
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
|
|
|
479
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
|
480
|
Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
|
|
|
481
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
482
|
CC1CCC(CC1)S(=O)(=O)N2CCN3C2C(CN3)C#N
|
|
|
483
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
|
484
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
485
|
c1cnccc1CSc2nncs2
|
|
|
486
|
COc1ccc(cc1)S(=O)(=O)N2C[C@@H](C(=NC2=O)[O-])F
|
|
|
487
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
488
|
c1ccc2c(c1)c(=O)sc(n2)N
|
|
|
489
|
|
|
|
490
|
c1ccc2c(c1)[C@@H](OC2=O)c3c(c(=O)cc(o3)CO)O
|
|
|
491
|
Cc1c(c2cnnc(n2n1)[O-])Br
|
|
|
492
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
493
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
|
494
|
CCCCC1C(OC(N1)C)CC=C
|
|
|
495
|
Cc1c(c(n[nH]1)O)C2=NCCC2
|
|
|
496
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
497
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
|
498
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
499
|
C[C@@H]1C(=NC(=NC1=O)c2ccccc2)C(=O)[O-]
|
|
|
500
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
|
501
|
c1ccc(cc1)c2ncc(s2)c3ccno3
|
|
|
502
|
c1cc(ccc1[C@@H]2C=Cc3cc(cnc3O2)Cl)Cl
|
|
|
503
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
504
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
|
505
|
c1cc(oc1)c2ccc(nc2)C#N
|
|
|
506
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
|
507
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
|
508
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
|
509
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
510
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
511
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccccn2
|
|
|
512
|
c1cc(nn2c1nnn2)n3ccnc3
|
|
|
513
|
c1c2cn[nH]c2cnc1Cl
|
|
|
514
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
515
|
c1nc([nH]n1)c2c(non2)N
|
|
|
516
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
517
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
518
|
Cc1nc2c(nc(=O)n(c2s1)CC(=O)N)c3cccs3
|
|
|
519
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
520
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
|
521
|
C1CCC2C(C1)C3=NC4CCNCC4CN3C2=O
|
|
|
522
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
523
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
|
524
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
525
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
526
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
527
|
COc1cc(=O)nc(o1)c2ccco2
|
|
|
528
|
COC(=O)CCc1c[nH]cn1
|
|
|
529
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
530
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
531
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
|
532
|
c1cc2c(cc1S(=O)(=O)[O-])nc[nH]2
|
|
|
533
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
|
534
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
|
535
|
c1nc(c2c(n1)scn2)N
|
|
|
536
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
537
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
538
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
539
|
C1CCC2(CC1)[C@@H]([C@@]3(CCCC=C3)NC2=O)O
|
|
|
540
|
Cc1cc(nn2c1nnc2)n3ccnc3
|
|
|
541
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
542
|
Cc1nc2ccccc2c(=O)n1c3nc[nH]n3
|
|
|
543
|
CCOC(=O)/C=C(/c1cnc2n1cccc2)C(F)(F)F
|
|
|
544
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
|
545
|
c1c(c2c(cn1)OCCN2)C#N
|
|
|
546
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
547
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
|
548
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
|
549
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
550
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
551
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
552
|
Cc1c2sc(n1)NC(=O)N2
|
|
|
553
|
C[C@@H]1Nc2ccccc2-c3n1c4ccccc4n3
|
|
|
554
|
Cc1cc2nc(nc(n2n1)N)N
|
|
|
555
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
556
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
557
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
558
|
Cc1c(non1)NCn2cnnn2
|
|
|
559
|
c1ccc(cc1)S(=O)(=O)[N-]c2cccnc2
|
|
|
560
|
|
|
|
561
|
CS(=O)(=O)N1COC(=O)[C@@H]1c2ccccc2
|
|
|
562
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
563
|
c1ccc(cc1)Cn2cncn2
|
|
|
564
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
565
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
566
|
c1ccc(cc1)c2c3n(cn2)CCCCC3
|
|
|
567
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
568
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
|
569
|
c1cc2c(nc1)S[C@@H]3c4cccnc4S[C@H]2O3
|
|
|
570
|
COc1ccnc(n1)Sc2nnc(s2)SC
|