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Virtual screening for IDP 3LXY - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
|
2
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
3
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
4
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
5
|
c1ccc(cc1)c2c3c(c(nn2)c4ccccc4)non3
|
|
|
6
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
|
7
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
8
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
9
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
10
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
11
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
|
12
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
13
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
14
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
|
15
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
16
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
17
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
|
18
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
|
19
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
20
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
21
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
22
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
23
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
24
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
25
|
CCnccn2c(/c1=Nc3ccccc3)nnn2
|
|
|
26
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
27
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
28
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
29
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
|
30
|
Cc1c(c(no1)c2ccccc2)c3ccn[nH]3
|
|
|
31
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
32
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
33
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
34
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
35
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
36
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
37
|
c1ccc(cc1)[C@H]2C[C@](N=C(N2)N)(C(F)(F)F)O
|
|
|
38
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
39
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
|
40
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
41
|
c1cnnc(n1)c2nccnn2
|
|
|
42
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
43
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
44
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
45
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
46
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
47
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
48
|
c1ccc(cc1)n2c(nnn2)n3ccnc3
|
|
|
49
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
50
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
51
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
52
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
53
|
|
|
|
54
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
55
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
56
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
57
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
58
|
|
|
|
59
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
60
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
|
61
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
62
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
63
|
Cc1cc(c(c(=O)o1)c2ccn[nH]2)[O-]
|
|
|
64
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
|
65
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
66
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
67
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
|
68
|
Cc1cnc(nc1c2ncnn2C)N
|
|
|
69
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
|
70
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
71
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
72
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
73
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
74
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
75
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
76
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
|
77
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
78
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
79
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
|
80
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
|
81
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
|
82
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
83
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
84
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
85
|
CNc1cnnc2c1cccc2
|
|
|
86
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
87
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
|
88
|
Cc1nccn1c2c(cnc(n2)N3CCOCC3)F
|
|
|
89
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
90
|
Cc1csc2n1c-3nc4ccccc4c3nn2
|
|
|
91
|
c1ccc2c(c1)-n3cnnc3CCS2
|
|
|
92
|
Cc1c2c(con2)c(nn1)c3ccccn3
|
|
|
93
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
94
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
95
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
96
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
97
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
98
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
99
|
|
|
|
100
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
|
101
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
102
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
103
|
C1Cc2c3c(nnc4c3c(nn2)CCC4)C1
|
|
|
104
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
105
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
106
|
C12C(NC(S1)C(=O)[O-])SC(N2)C(=O)[O-]
|
|
|
107
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
|
108
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
|
109
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
110
|
|
|
|
111
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
112
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
113
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
|
114
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
115
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
116
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
117
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
118
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|
|
|
119
|
c1ccc(cc1)n2c(nnn2)n3c4ccccc4nn3
|
|
|
120
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
121
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
122
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
123
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
124
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
125
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
126
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
127
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
128
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
129
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
130
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
131
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
132
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
133
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
134
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
135
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
136
|
CCn1cncc1c2nnc3n2cccc3Cl
|
|
|
137
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
|
138
|
CC1NC(ON1)C2CNCCN2
|
|
|
139
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
|
140
|
c1ccc2c(c1)nc3c(c(oc3n2)N4CCCC4)C#N
|
|
|
141
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
142
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
|
143
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
144
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
145
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
146
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
147
|
c1cc(oc1C#CC(=O)[O-])Br
|
|
|
148
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
|
149
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
|
150
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
151
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
152
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
153
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
154
|
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
|
|
|
155
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
|
156
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
157
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
158
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
|
159
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
160
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
161
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
162
|
c1cc(cnc1)C(=O)c2ccco2
|
|
|
163
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
164
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
165
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
166
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
167
|
c1cc(sc1)C(=O)n2cnnc2N
|
|
|
168
|
c1cc(cnc1)NCc2csnn2
|
|
|
169
|
c1ccc(cc1)[C@@H]2C=C(N3C(=N2)N=NN3)c4ccccc4
|
|
|
170
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
171
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
172
|
Cc1ccc(c(c1)C)c2cc3n(c2)nc(n3N)C
|
|
|
173
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
174
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
|
175
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
176
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
|
177
|
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
|
|
|
178
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
179
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
180
|
c1ccc(cc1)c2c(=O)c3c(n4c2OCC4)CCC3
|
|
|
181
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
182
|
c1cnc(nc1c2nccs2)N
|
|
|
183
|
c1ccnc(c1)CCSc2nncs2
|
|
|
184
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
185
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
186
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
|
187
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
188
|
CN(C)c1nnnn1c2cccnc2
|
|
|
189
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
190
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
191
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
|
192
|
CCn1cc2c(n1)c(=O)n(nn2)C3CCCCC3
|
|
|
193
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
194
|
Cc1c(cn(n1)C)n2cnnn2
|
|
|
195
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
196
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
|
197
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
|
198
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
199
|
Cc1csc(n1)Sc2csc(n2)Cl
|
|
|
200
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
|
201
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
|
202
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
203
|
CCOc1cc(no1)Oc2ccccc2
|
|
|
204
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
205
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
206
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
207
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
208
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
209
|
c1cc2c(c3c1nncc3)non2
|
|
|
210
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
211
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
212
|
Cn1c(nnn1)c2ccco2
|
|
|
213
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
214
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
215
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
216
|
Cc1cc(no1)CSc2nncs2
|
|
|
217
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
218
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
219
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
220
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
|
221
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
|
222
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
|
223
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
224
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
|
225
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
226
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
227
|
C1CCC2C(C1)-C3CNCNC3N=C(N2)N4CCCCC4
|
|
|
228
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
229
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
|
230
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
231
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
232
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
|
233
|
COc1ccccc1/N=c/2cccccc2O
|
|
|
234
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
|
235
|
|
|
|
236
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
237
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
238
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
239
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
240
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
241
|
C1CCC(CC1)C2C(=O)OC(=O)[NH]N2
|
|
|
242
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
|
243
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
244
|
c1ccc2c(c1)nc(c3n2nnn3)Nc4ccccc4O
|
|
|
245
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
|
246
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
247
|
c1ccc(cc1)C(=O)NC2=NC(=O)C[C@@H]3N2CCNC3=O
|
|
|
248
|
CCC1=C([C@@H](C(=O)N=C1C)N)OC2C[C@@H](C[C@@H](C2)C)C
|
|
|
249
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
|
250
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
251
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
252
|
C[C@@]12CCC(=O)N1C3CNCNC3N2
|
|
|
253
|
|
|
|
254
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
255
|
c1ccc(cc1)Oc2nc3ccc(nn3c(=O)n2)Cl
|
|
|
256
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
257
|
C=CCSc1nccn1c2ccccc2
|
|
|
258
|
CSc1nccc(n1)c2cnoc2
|
|
|
259
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
260
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
261
|
|
|
|
262
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
263
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
264
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
|
265
|
c1cc(oc1)c2ccnc3n2ncc3
|
|
|
266
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
267
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
268
|
Cc1cc2c(o1)ccc3c2non3
|
|
|
269
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
|
270
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
|
271
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
272
|
c1cc2nnc(n2cc1C(F)(F)F)c3nccs3
|
|
|
273
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
274
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
275
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
|
276
|
CCCc1nncn1NC(=O)OCC
|
|
|
277
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
278
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
|
279
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
280
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
|
281
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
282
|
Cc1cccc2c1Oc3c(c(nn3c4ccccc4)N)C2
|
|
|
283
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
284
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
285
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
286
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
287
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
288
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
289
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
290
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
291
|
CC(=O)c1csc(n1)c2ccno2
|
|
|
292
|
CNc1nnc(s1)Sc2nnc(s2)NC
|
|
|
293
|
Cc1cc-2c(s1)CCCCc3n2nnn3
|
|
|
294
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
295
|
C/C=C/c1nnnn1[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
296
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
297
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
|
298
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
299
|
Cc1csc(n1)C[C@@](c2nccn2C)(C(F)(F)F)O
|
|
|
300
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
|
301
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
302
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
303
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
304
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
305
|
Cc1c2c(on1)CCOC(=O)N2
|
|
|
306
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
307
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
308
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
|
309
|
c1cc(c(cc1n2c(=O)cc3n(c2=O)CCNC3=O)Cl)Cl
|
|
|
310
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
311
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
312
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
313
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
314
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
|
315
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
|
316
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
317
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
318
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
319
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
320
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
321
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
322
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
323
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
324
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
325
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
326
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
327
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
328
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
329
|
C[S@@](=O)c1ccc(nn1)n2cccc2
|
|
|
330
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
331
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
332
|
CCC(=O)OC1=C[C@@H]2[C@@H](C=C1)N(C(=C2C(=O)OCC)C)C
|
|
|
333
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
334
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
335
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
336
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
|
337
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
338
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
339
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
340
|
C1c2nnnn2Cc3n1nnn3
|
|
|
341
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
342
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
|
343
|
c1cc(ccc1N)Sc2nncs2
|
|
|
344
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
|
345
|
c1cc(ccc1[C@@H](c2c(nc3nnc(n3n2)N)[O-])C(=O)[O-])Cl
|
|
|
346
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
347
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
|
348
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
|
349
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
350
|
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
|
|
|
351
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
352
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
|
353
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
|
354
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
355
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
356
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
357
|
CCCCc1c2c(n[nH]1)CC(CC2=O)(C)C
|
|
|
358
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
359
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
360
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
361
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
362
|
Cc1c(c-2c(cn1)COc3c2cccc3)C#N
|
|
|
363
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
|
364
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
365
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
366
|
|
|
|
367
|
COC(=O)CC1=C(NC(=NC1)N2CCCC2)O
|
|
|
368
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
369
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
370
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
371
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
372
|
CC1(Oc2cc(oc(=O)c2C(=O)O1)N3CCOCC3)C
|
|
|
373
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
374
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
375
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
376
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
377
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
|
378
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
|
379
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
380
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
381
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
|
382
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
383
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
384
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
385
|
c1ccc2c(c1)nnn2c3ccco3
|
|
|
386
|
c1ccc(cc1)n2c(nnc2[O-])c3cccnc3
|
|
|
387
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
388
|
CC(=O)N1C[C@@H]2CC[C@@]([C@@H]2C1)(c3cccc(c3)OC)O
|
|
|
389
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
|
390
|
Cn1c2ccccc2n(c(=O)c1=O)Cc3ccon3
|
|
|
391
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
392
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
393
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
394
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
|
395
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
|
396
|
Cc1csc(n1)c2nnc(o2)N
|
|
|
397
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
398
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
399
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
400
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
401
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
|
402
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
403
|
c1ccc(cc1)[C@@H]2Cn3c(nnn3)-c4ccccc4O2
|
|
|
404
|
c1c[nH]nc1c2nccs2
|
|
|
405
|
c1cc2cn[nH]c2c(c1)S(=O)(=O)[O-]
|
|
|
406
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
407
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
|
408
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
|
409
|
c1cc(sc1)[C@@H]2CC(=O)Nc3c2cn[nH]3
|
|
|
410
|
Cc1c(non1)c2[n-]nnn2
|
|
|
411
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
412
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
413
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
414
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
415
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
416
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
|
417
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
418
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
419
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
420
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
421
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
|
422
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
|
423
|
CC1=C(C(=O)NC2=NNC(=O)[C@@H]12)CCC(=O)[O-]
|
|
|
424
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
425
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
426
|
c1cnn(c1)CCSc2nncs2
|
|
|
427
|
Cc1cc(nc2c1c(on2)N)C
|
|
|
428
|
c1cc2c(nc1)Nc3c(cccn3)O2
|
|
|
429
|
|
|
|
430
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
|
431
|
|
|
|
432
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
433
|
Cc1csc(n1)c2c(non2)N
|
|
|
434
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(o3)Br
|
|
|
435
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
436
|
CCn1c2c(c(n1)C)NC(=O)CNC2=O
|
|
|
437
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
|
438
|
Cc1cc(nc(n1)Sc2c(c(nc(c2F)F)F)F)C
|
|
|
439
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
|
440
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
|
441
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
|
442
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
443
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
444
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
|
445
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
446
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
447
|
CC1CC(N(N1)C2C3CCCCC3SN2)C
|
|
|
448
|
Cc1cc(no1)c2c(c(no2)C)c3nc(on3)C
|
|
|
449
|
C1CCC(CC1)n2c(=O)c3c([nH]c2=O)C=CC3
|
|
|
450
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
451
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
|
452
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
453
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
454
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
455
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
456
|
C1=C/C/2=C/C(=O)NC=CC=C/C3=C/C(=O)N2C=C1
|
|
|
457
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
458
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
|
459
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
460
|
CC(C)Oc1c(c(=O)c1=O)c2ccco2
|
|
|
461
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
462
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
463
|
c1ccc(cc1)N=c2c(=O)c3ccccc3c2=O
|
|
|
464
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
465
|
[H]/N=c/n(c(c(s1)C2=c3ccccc3=NC2=O)O)C
|
|
|
466
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
467
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
468
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
469
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
470
|
c1ccc-2c(c1)Cn3c2nnn3
|
|
|
471
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
472
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
473
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
474
|
Cc1cc-2n(n1)C(C(=O)Nc3c2cc(cc3)Cl)(C)C
|
|
|
475
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
|
476
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
477
|
CCn1cc(c(n1)C)c2nnc(n2C)SC
|
|
|
478
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
479
|
Cc1c(c2c(o1)c(c(c(c2F)F)F)F)c3nc(on3)C(C)(C)C
|
|
|
480
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
481
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
482
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
|
483
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
484
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
485
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
486
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
487
|
CS(=O)(=O)Oc1nnc2n1nc(s2)OS(=O)(=O)C
|
|
|
488
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
489
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
490
|
Cn1c(c(c(=O)[nH]c1=O)Oc2ccc(cc2Cl)F)N
|
|
|
491
|
c1cc2c(nc1)S[C@@H]3c4cccnc4S[C@H]2O3
|
|
|
492
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
493
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
|
494
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
|
495
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
|
496
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
497
|
c1nnc2n1nc3c(c2[O-])CCC3
|
|
|
498
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
499
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
500
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
|
501
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
|
502
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
|
503
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
504
|
Cc1c(nnn1c2cc(cnc2C#N)C(F)(F)F)C(=O)C
|
|
|
505
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
506
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
|
507
|
CC1NC2C(NCNC2NN1)N
|
|
|
508
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
509
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
510
|
c1ccnc(c1)SCCn2cccn2
|
|
|
511
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
512
|
|
|
|
513
|
CC(=O)NC1CCC2C(C1)NCNN2
|
|
|
514
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
515
|
[H]/[O+]=C(/C)N=c/ccc(nn1[O-])Cl
|
|
|
516
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
517
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
518
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
519
|
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
|
|
|
520
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
521
|
|
|
|
522
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
523
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
524
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
525
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
|
526
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
|
527
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
|
528
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
529
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
530
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
531
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
532
|
|
|
|
533
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
534
|
Cc1coc2n1cc(n2)c3ccc(cc3)Cl
|
|
|
535
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
|
536
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
537
|
CN(C)c1nc(=O)n2c(n1)SCC2
|
|
|
538
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
539
|
C1CCC2C(C1)C(NO2)C[S@@](=N)(=O)[O-]
|
|
|
540
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
541
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
542
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
|
543
|
CC(=O)c1ccc2nnnn2c1
|
|
|
544
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
545
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
546
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
547
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
|
548
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
549
|
|
|
|
550
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
551
|
c1cnccc1[C@@H]2CCC=CC2
|
|
|
552
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
|
553
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
554
|
CC1(CC2C(OC(NC2=O)N(C)C)C1)C
|
|
|
555
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
556
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
|
557
|
|
|
|
558
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
559
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
560
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
|
561
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
562
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
563
|
C[C@@H](C(=O)C1=N[C@@H]2C(=[NH+]C1)NC(=NC2=O)[NH-])[O-]
|
|
|
564
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
|
565
|
COC(=O)c1c(non1)n2cccc2
|
|
|
566
|
CC(C)(C)C1NNNN1CN2CCN(CC2)S(=O)(=O)C
|
|
|
567
|
CC1=NN(C(=O)C1)C(=O)c2ccc(cc2)O
|
|
|
568
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
569
|