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Virtual screening for IDP 3OS4 - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
2
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
3
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
4
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
5
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
6
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
7
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
8
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
9
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
10
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
11
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
12
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
13
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
14
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
15
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
16
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
17
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
18
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
19
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
20
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
21
|
|
|
|
22
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
23
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
24
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
25
|
Cc1ccc(n1c2c(c(c(o2)c3ccco3)c4ccco4)C#N)C
|
|
|
26
|
|
|
|
27
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
28
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
29
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
30
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
31
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
32
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
33
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
34
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
35
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
36
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
37
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
38
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
39
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
40
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
41
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
42
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
43
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
44
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
45
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
46
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
47
|
|
|
|
48
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
|
49
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
|
50
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
51
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
52
|
|
|
|
53
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
54
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
|
55
|
Cc1cc([nH]c(=O)c1C2=NCCNC(=C2)C(F)(F)F)C
|
|
|
56
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
57
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
58
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
59
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
60
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
61
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
62
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
|
63
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
64
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
65
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
66
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
67
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
68
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
69
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
70
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
71
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
|
72
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
73
|
CC(=O)NC[C@@H](c1ccco1)S(=O)(=O)c2ccccc2
|
|
|
74
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
75
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
76
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
|
77
|
Cc1c2c(nc(c(n2)c3ccc(nc3)OC)[O-])nc(n1)SC
|
|
|
78
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
79
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
80
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
81
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
82
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
83
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
84
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
85
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
86
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
87
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
88
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
89
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
90
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
91
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
92
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
93
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
94
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
95
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
96
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
97
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
98
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
99
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
100
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
101
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
102
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
103
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
104
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
105
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
106
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
107
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
108
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
|
109
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
110
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
111
|
C[C@@H]1[C@@H]2[C@@H](C=C3CCCC[C@H]3[C@@H]2/C=C/c4ccccn4)C(=O)O1
|
|
|
112
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
113
|
c1ccc(cc1)NC(=O)Nc2nc[nH]n2
|
|
|
114
|
|
|
|
115
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
116
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
117
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
118
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
119
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
120
|
c1cc(ccc1[C@@H](c2c(nc3nnc(n3n2)N)[O-])C(=O)[O-])Cl
|
|
|
121
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
122
|
|
|
|
123
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
124
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
125
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
126
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
127
|
C=CCN(Cc1nccn1C(F)F)C2CC2
|
|
|
128
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
129
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
130
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
131
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
132
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
133
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
134
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
135
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
136
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
|
137
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
138
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
|
139
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
140
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
141
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
142
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
143
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
144
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
|
145
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
146
|
Cc1nccn1c2c(cnc(n2)N3CCOCC3)F
|
|
|
147
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
148
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
149
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
|
150
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
151
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
152
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
153
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
154
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
|
155
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
|
156
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
157
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
158
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
|
159
|
|
|
|
160
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
|
161
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
|
162
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
163
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
164
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
165
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
166
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
167
|
|
|
|
168
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
169
|
CC(C)(C)c1ncc(s1)c2nc3c(cccn3)c(n2)[O-]
|
|
|
170
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
171
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
172
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
173
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
174
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
175
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
176
|
Cc1c(nnc(c1C#N)NCc2ccoc2)C
|
|
|
177
|
Cc1[nH]c(=O)c2c(n1)c3c(s2)NC(=O)C[C@@H]3c4ccccc4
|
|
|
178
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
179
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
180
|
CC1=C[C@@H]2Cc3c(c(c4c(n3)oc(n4)C5CC5)N)[C@@H](C2)C1
|
|
|
181
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
182
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
183
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
184
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
185
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
186
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
|
187
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
188
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
189
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
190
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
191
|
CSc1nnc(c(=O)n1N)/C=C/c2cccs2
|
|
|
192
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
193
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
194
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
195
|
|
|
|
196
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
197
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
198
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
199
|
|
|
|
200
|
c1cc(ccc1/N=C(/Nc2[n-]nnn2)O)Cl
|
|
|
201
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
202
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
203
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
204
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
205
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
206
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
|
207
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
208
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
209
|
|
|
|
210
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
211
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
212
|
COC(=O)Nc1cc(c[nH]1)C(=O)c2ccc(cc2Cl)Cl
|
|
|
213
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
214
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
|
215
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
216
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
|
217
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
218
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
219
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
220
|
c1cc(ccc1N)S(=O)(=O)Nc2nc3c(c(n2)[O-])CCCC3
|
|
|
221
|
CC1=NC(=NC([C@H]1C#N)(C(F)(F)F)C(F)(F)F)c2ccco2
|
|
|
222
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
223
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
224
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
225
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
226
|
CC1NC(NO1)C2CN3C(C2C(C)C)C(=O)NC[NH]3
|
|
|
227
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
228
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
229
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
230
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
231
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
232
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
233
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
234
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
235
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
236
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
237
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
238
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
239
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
240
|
CC(=O)c1c(nn(n1)c2ccc(cc2)F)Nc3ccc(nc3)OC
|
|
|
241
|
CCn1c(ccn1)[C@@H]2CCCN2C(=O)NCC(=O)OC
|
|
|
242
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
243
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
244
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
245
|
|
|
|
246
|
C1CCC(CC1)NC(=O)NC2=CC=CN=CO2
|
|
|
247
|
|
|
|
248
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
249
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
250
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
|
251
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
252
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
|
253
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
254
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
255
|
CC1(OC[C@@H]([C@H](O1)CCO)/C=C/C=CCCCC(=O)OC)C
|
|
|
256
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
257
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
258
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
259
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
260
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
261
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
262
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
263
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
264
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
265
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
|
266
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
267
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
268
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
|
269
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
270
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
271
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
272
|
|
|
|
273
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
274
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
|
275
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
|
276
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
277
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
|
278
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
279
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
280
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
|
281
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
282
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
|
283
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
|
284
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
285
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
286
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
287
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
288
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
289
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
290
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
|
291
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
292
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
293
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
294
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
295
|
C[C@@H]1[C@@H]2[C@@H](N(C(=[NH+][C@@H]2N(C(=O)N1)C)O)C)/C=C/c3ccccc3
|
|
|
296
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
297
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
298
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
299
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
300
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
301
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
302
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
303
|
CCC1=C([C@@H](C2=C(N1)CCCC2=O)c3ccccc3)C(=O)OCC
|
|
|
304
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
305
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
306
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
307
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
308
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
309
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
310
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
311
|
c1ccc(cc1)NC2=NN/C(=Nc3ccccc3)/[C@H]2Cl
|
|
|
312
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
313
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
314
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
315
|
c1ccc(cc1)COc2c(nccn2)N
|
|
|
316
|
|
|
|
317
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
318
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
319
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
320
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
321
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
322
|
CCN1c2cscc2S(=O)(=O)N(C1=O)Cc3ccccn3
|
|
|
323
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
324
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
325
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
326
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
327
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
328
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
329
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
330
|
c1ccc(cc1)Oc2nc3ccc(nn3c(=O)n2)Cl
|
|
|
331
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
332
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
333
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
334
|
Cc1c(c2c(n1c3ccccc3)c(ncn2)N)C#N
|
|
|
335
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
336
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
337
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
338
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
|
339
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
340
|
c1ccnc(c1)Nc2nsc(=O)n2c3ccccn3
|
|
|
341
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
|
342
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
|
343
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
344
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
345
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
346
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
347
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
348
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
349
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
350
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
351
|
C1CCC(CC1)CC[C@@]2(CC(OC2)(C(F)(F)F)C(F)(F)F)O
|
|
|
352
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
353
|
CCc1c([nH]c(=O)c(c1Cc2cc(cc(c2)C)C)n3cccc3)C
|
|
|
354
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
355
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
356
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
|
357
|
c1ccc2c(c1)[nH]c(n2)/C=C/CCC=C3N4CCOCC4
|
|
|
358
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
359
|
C1CCC2C(C1)N/C(=C/C=CC(=O)C(=C3)C(=O)[O-])/S2
|
|
|
360
|
Cc1[nH]cc([nH+]1)S(=O)(=O)[N-]c2cc(nn2C)c3ccccc3
|
|
|
361
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
362
|
Cc1c(c2c(=O)[nH]cnc2s1)S(=O)(=O)N3CCCCC3
|
|
|
363
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
364
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
365
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
366
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
367
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
368
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
369
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
370
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
371
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
372
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
373
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
374
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
375
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
376
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
377
|
CC1=CC(=Nc2ccccc2N1)c3c(=O)c4ccccc4n(c3[O-])C
|
|
|
378
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
|
379
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
380
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
381
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
382
|
CCOC(=O)c1c2c3ccccc3[nH]c2n4c1scc4C
|
|
|
383
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
384
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
385
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
386
|
CCCOCCn1c2cc(ncc2nc(c1=O)Cl)Cl
|
|
|
387
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
388
|
c1ccc(cc1)NCc2cscn2
|
|
|
389
|
c1cc(nc2c1Nc3c(c(ncn3)N)S2)Cl
|
|
|
390
|
c1cc(sc1)c2nn(c(=O)n2c3ccncc3)CCC#N
|
|
|
391
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
392
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
393
|
|
|
|
394
|
CCCCNC(=O)C1=C(NSN1)c2ccccc2O
|
|
|
395
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
396
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
397
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
398
|
CCOc1ccc(nn1)Sc2cc(nc(n2)SCC)C
|
|
|
399
|
|
|
|
400
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
401
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
402
|
CC1=Nc2c(c(n(n2)c3ccccc3)O)C(=O)CC1
|
|
|
403
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
404
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
405
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
|
406
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
407
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
408
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
|
409
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
|
410
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
411
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
412
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
413
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
414
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
415
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
416
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
417
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
418
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
419
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
|
420
|
CCCN(C)c1ccc2c3c(cn2n1)c(nn(c3=O)C)Cl
|
|
|
421
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
422
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
423
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
424
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
|
425
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
|
426
|
Cc1nnc(s1)N[C@@]2([C@@H](C(=NC2=O)C)C#N)C(F)(F)F
|
|
|
427
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
428
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
|
429
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
|
430
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
431
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
432
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
433
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
434
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
|
435
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
436
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
437
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
438
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
439
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
440
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
441
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
|
442
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
443
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
444
|
CC1=CC[C@@H]([C@@H]2[C@]1([C@H](O[C@H]2c3ccccn3)C(=O)OC)O)C(=C)C
|
|
|
445
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
|
446
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
447
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
448
|
CC1CC(N(N1)C(=O)C2CNN3C2N(CCC3=O)C(C)C)C
|
|
|
449
|
CC(=O)c1cc2cnccc2[nH]c1=O
|
|
|
450
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
|
451
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
452
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
453
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
454
|
c1ccc(cc1)n2nc(c(n2)N3CCCCC3)C#N
|
|
|
455
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
456
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
457
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
458
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
459
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
460
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
461
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
462
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
463
|
COc1ccc(cc1)n2c(=O)c(c3c(n2)NC(=O)C3)C#N
|
|
|
464
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
465
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
466
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
467
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
468
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
469
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
|
470
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
471
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
472
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
|
473
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
474
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
475
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
476
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
|
477
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
478
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
479
|
Cc1cc2c(nc(nc2o1)C)c3cnoc3
|
|
|
480
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
481
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
482
|
c1ccc2c(c1)n3c(c(nn3)C(=O)N)sc4n2nnc4C(=O)[O-]
|
|
|
483
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
484
|
c1ccc(cc1)c2nc(sn2)c3ccc(nn3)Cl
|
|
|
485
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
486
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
487
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
488
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
489
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
490
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
491
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
492
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
493
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
494
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
495
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
496
|
C1CCC2C(C1)C(N3C2SCC3)C4NC(NC(N4)F)F
|
|
|
497
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
498
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
499
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
500
|
c1cc(oc1)C(=O)Nc2csnn2
|
|
|
501
|
c1ccc2c(c1)ccc3c2c4c([nH]3)C5=C(COC=C5)OC4
|
|
|
502
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
503
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
504
|
c1ccnc(c1)Nc2cccs2
|
|
|
505
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
506
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
507
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
508
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
509
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
510
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
511
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
512
|
[H]/N=c/n(ccs1)/N=N/c2ccccc2
|
|
|
513
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
514
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
|
515
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
|
516
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
517
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
518
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
519
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
520
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
521
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
522
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
|
523
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
|
524
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
525
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
526
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
527
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
528
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
529
|
c1ccc(cc1)NC(=O)Nc2ccno2
|
|
|
530
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
531
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
532
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
|
533
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
534
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
|
535
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
536
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
537
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
538
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
|
539
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
540
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
|
541
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
542
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
543
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
544
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
545
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
546
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
|
547
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
548
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
549
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
|
550
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
551
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
552
|
CC(C)NC(=O)OCC[S@@](=O)C1C(C(NN1C)CL)CL
|
|
|
553
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
554
|
|
|
|
555
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
556
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
|
557
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
558
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
559
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
560
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
561
|
c1ccc(cc1)S(=O)(=O)[N-]c2ncccn2
|
|
|
562
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
563
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
|
564
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
|
565
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
566
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
567
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
568
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
569
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
570
|