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Virtual screening for IDP 3LNO - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
2
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
3
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
4
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
5
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
6
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
7
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
8
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
|
9
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
10
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
11
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
12
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
13
|
|
|
|
14
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
15
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
16
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
17
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
18
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
19
|
Cn1c2c(cn1)c(cc(n2)c3ccco3)C(F)F
|
|
|
20
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
21
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
22
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
23
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
24
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
25
|
c1ccc2c(c1)c(c3c(n2)C[C@@H]4CCCN3C4)C(=O)[O-]
|
|
|
26
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
27
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
28
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
29
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
30
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
31
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
32
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
33
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
34
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
35
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
36
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
37
|
Cc1cc2c(c(=O)o1)[C@@H](Sc3ccccc3N2)c4ccco4
|
|
|
38
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
39
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
40
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
41
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
42
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
43
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
44
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
45
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
46
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
47
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
48
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
49
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
50
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
51
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
52
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
53
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
54
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
55
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
56
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
|
57
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
58
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
59
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
60
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
61
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
62
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
63
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
64
|
Cc1ccc(c2c1cc3c(n2)OCC(=O)N(C3)C4CC4)C
|
|
|
65
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
66
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
67
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
68
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
69
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
70
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
71
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
72
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
73
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
74
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
75
|
Cc1ncc(c(n1)c2ccccc2O)c3cccnc3
|
|
|
76
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
77
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
78
|
|
|
|
79
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
80
|
Cc1c2c(cc(/c(=[NH+]/c3ccccc3)/o2)C(=O)N)c(cn1)CO
|
|
|
81
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
82
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
|
83
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
84
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
85
|
CCCn1c(cc(n1)C)NS(=O)(=O)c2ccc(cc2)C
|
|
|
86
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
87
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
88
|
CCCN(C)c1ccc2c3c(cn2n1)c(nn(c3=O)C)Cl
|
|
|
89
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
90
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
91
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
92
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
93
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
94
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
95
|
|
|
|
96
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
97
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
98
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
|
99
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
100
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
101
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
102
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
103
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
104
|
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
105
|
COc1ccc(cc1)C2=Nn3c(nnn3)-c4ccccc4C2
|
|
|
106
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
107
|
CN(C)C1CCC(CC1)/C=C/C2C3C(NCCN3)NC(N2)N
|
|
|
108
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
109
|
CS(=O)(=O)c1ccc(c(c1)S(=O)(=O)C)n2cnc(n2)C#N
|
|
|
110
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
111
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
112
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
113
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
114
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
115
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
116
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
117
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
118
|
CC(C)(C)OC(=O)N1c2cscc2-c3cccnc3[C@@H]1O
|
|
|
119
|
CCOC(=O)[C@@H]1C2C(NC3CCCCC3N2)N4[C@@H]1CCC4
|
|
|
120
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
121
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
122
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
123
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
124
|
Cc1c(nn(c(=O)c1c2nc(c(s2)C(=O)[O-])C)C)C
|
|
|
125
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
126
|
Cc1cc(no1)Nc2c3ccccc3nc4c2cccc4
|
|
|
127
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
|
128
|
Cn1c2nc(c(n2c(=O)n(c1=O)C)Cc3ccccc3)Cl
|
|
|
129
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
130
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
131
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
|
132
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
133
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
134
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
135
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
136
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
137
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
138
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
139
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
140
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
141
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
142
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
143
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
144
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
|
145
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
146
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
147
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
148
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
149
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
150
|
c1cc(ccc1C(=O)[O-])Oc2c(nccn2)N3CCCC3
|
|
|
151
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
|
152
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
153
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
154
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
155
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
156
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
157
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
158
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
159
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
160
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
161
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
162
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
163
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
164
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
165
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
166
|
COC(=O)[C@@H]1c2c(oc3cc(cc(c3c2=O)O)CO)C=C[C@@H]1O
|
|
|
167
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
168
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
169
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
|
170
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
171
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
|
172
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
173
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
174
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
175
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
176
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
177
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
178
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
179
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
180
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
|
181
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
182
|
CNC(=O)N(C)C1=N[C@@](C(=N1)C2CCCCC2)(C3CCCCC3)O
|
|
|
183
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
184
|
Cc1cc(no1)N[C@@]2(C(=O)N=C([N-]2)c3ccccc3)C(F)(F)F
|
|
|
185
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
186
|
CCOC(=O)c1c(cn2c1sc3ccccc3c2=O)C
|
|
|
187
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
188
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
189
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
190
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
191
|
CC(=O)c1c(n(nn1)C2CCCCC2)NC3CCCCC3
|
|
|
192
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
193
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
194
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
195
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
196
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
197
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
198
|
Cc1cc(n(n1)C(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)C
|
|
|
199
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
200
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
201
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
|
202
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
|
203
|
C1CCC2C(C1)N/C(=C/C=CC(=O)C(=C3)C(=O)[O-])/S2
|
|
|
204
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
205
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
206
|
C1CC(OC1)C2C3C(CNNC3OC2C4CCCO4)N
|
|
|
207
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
208
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
209
|
|
|
|
210
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
211
|
CC1CC(NN2C1C(NC2SC)C3CCCCC3)C
|
|
|
212
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
213
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
214
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
215
|
c1ccc2c(c1)[C@@H]3[C@@H](S2(=O)=O)n4cnc5c4c(ncn5)S3
|
|
|
216
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
217
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
218
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
219
|
c1ccc-2c(c1)CCc3c2nc4c(n3)c(ncn4)O
|
|
|
220
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
221
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
222
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
223
|
CC[C@@H]1C2CC-3N(C(=O)C2COC1=O)CC4C3CCCC4
|
|
|
224
|
CN1C(=O)[NH]N(C1=O)[C@@H]2CN3C(=O)N(C(=O)N3-C4C2CCCC4)C
|
|
|
225
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
226
|
c1ccc(cc1)n2cc3c(n2)C=C[C@@H]4[C@H]3[C@@H]5[C@H]4C6C=C[C@H]7C5[C@H]7C=C6
|
|
|
227
|
|
|
|
228
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
229
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
230
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
231
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)n2ccnc2)C#N
|
|
|
232
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
233
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
234
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
235
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
236
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
237
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
238
|
c1ccc2c(c1)nnn2c3ccc4nnnn4n3
|
|
|
239
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
|
240
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
241
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
242
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
243
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
244
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
245
|
Cc1cc(on1)c2cnc(nc2[C@@H]3CCCO3)N4CCCC4
|
|
|
246
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
247
|
CCOC1C-2C(NC(N1)N)CCC3C2CCCC3
|
|
|
248
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
249
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
250
|
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
|
|
|
251
|
c1ccc2c(c1)N(CCO2)C(=O)n3ccnc3
|
|
|
252
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
253
|
CCn1c(c(c(nc1=O)O)NC)NC(=O)c2c(ncs2)C
|
|
|
254
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
|
255
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
256
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
257
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
258
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
259
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
260
|
CNc1c2c(c3c(n1)oc(n3)c4ccccc4)n(cn2)C
|
|
|
261
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
262
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
263
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
264
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
265
|
CCc1c2c(n(n1)C3CCCC3)C(=O)N(CC2)c4ccccc4
|
|
|
266
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
267
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
268
|
|
|
|
269
|
|
|
|
270
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
271
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
272
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
273
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
274
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
275
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
|
276
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
277
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
278
|
Cc1c(nc2ccccc2n1)c3c(c(ns3)N)C#N
|
|
|
279
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
280
|
C1CCC2C(C1)[C@@H](N3C4CCCCC4C(=O)C3=N2)O
|
|
|
281
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
282
|
c1ccc(cc1)[C@@H]2CC(=O)[C@@H](c3n2c4ccccc4n3)C#N
|
|
|
283
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
|
284
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
285
|
|
|
|
286
|
c1ccc2c(c1)c3ccc(cc3o2)n4ncnn4
|
|
|
287
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
|
288
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
289
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
290
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
|
291
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
292
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
|
293
|
COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
|
|
|
294
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
|
295
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
296
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
297
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
298
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
299
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
300
|
Cc1ccc(n1c2c(c(c(o2)c3ccco3)c4ccco4)C#N)C
|
|
|
301
|
c1ccc(cc1)C2=Nc3ccccc3N[C@H]2C(=O)[O-]
|
|
|
302
|
CC1(C=C2c3cccc(c3C(=O)N2c4c1cccc4)C(=O)[O-])C
|
|
|
303
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
304
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
305
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
|
306
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
307
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
308
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
309
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
|
310
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
311
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
312
|
CCnccnc(/c1=Nc2ccc(cc2)OC)N3CCOCC3
|
|
|
313
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
314
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
315
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
316
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
317
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
318
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
319
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
320
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
321
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
322
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
323
|
Cc1c(ccc2c1oc(=O)c3c2oc(n3)C)OC(=O)C
|
|
|
324
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
325
|
c1ccc2c(c1)c(=O)n3c(n2)-c4ccccc4S3(=O)=O
|
|
|
326
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
327
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
328
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
329
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
330
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
331
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
332
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
|
333
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
334
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
335
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
336
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
337
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
338
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
339
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
340
|
CC(=C/C=C/c1c(c2ccccc2s1)OC(=O)N(C)C)C
|
|
|
341
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
342
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
343
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
344
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
345
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
|
346
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
347
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
348
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
349
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
350
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
351
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
352
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
353
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
354
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
355
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
356
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
357
|
C1CCC2C(C1)C(=C3CC4=CC(=O)C=CC4=C3N2)CL
|
|
|
358
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
359
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
360
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
361
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
362
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
363
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
364
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
365
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
366
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
367
|
c1ccc2c(c1)C[C@@]3(c4ccccc4C=C3NC2=O)O
|
|
|
368
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
369
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
370
|
Cc1ccc(cc1)c2nc(sn2)C(=O)C(C)(C)C
|
|
|
371
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
372
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
373
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
374
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
375
|
c1ccc(cc1)[C@@H]2N(C(=O)C=C(O2)c3ccccc3)c4ccccc4
|
|
|
376
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
377
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
378
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
379
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
380
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
381
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
382
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
383
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
384
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
385
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
386
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
387
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
388
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
389
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
390
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
391
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
392
|
Cc1ccc(cc1)S(=O)(=O)[C@@H](C#N)c2c(nccn2)Cl
|
|
|
393
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
394
|
CC(=O)NC1=C(c2ccccc2C1)C3=Cc4ccccc4C3
|
|
|
395
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
396
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
397
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
398
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
399
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
400
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
401
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
402
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
403
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
404
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
405
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
406
|
c1ccc2c(c1)cc3c(n2)OC(=O)N(C3)C4CC4
|
|
|
407
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
408
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
409
|
CCOC(=O)C1=C(Sc2ccccc2C1)NC(=O)C
|
|
|
410
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
411
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
412
|
C1CCC(CC1)C2C(C3CNCCC3O2)C#N
|
|
|
413
|
COC(=O)Cc1c(c(=O)n(c(=O)o1)c2ccccc2)C(=O)OC
|
|
|
414
|
c1ccc2c(c1)c(c3c(n2)[C@@H]4OC[C@H](C3)O4)C(=O)[O-]
|
|
|
415
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
416
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
417
|
Cn1c(=O)c(c(cn1)Cl)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
418
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
419
|
Cc1ccc(cc1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F
|
|
|
420
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
421
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
|
422
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
423
|
CC(C)N1C(NNN1)SC2CNN(C(=O)C2CL)C
|
|
|
424
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
425
|
c1ccc2c(c1)ccc3c2C4=C(CCC4)[C@@H](N3)c5ccncc5
|
|
|
426
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
427
|
Cc1nc(c(n1C)O[C@@H]2CCCCO2)SCc3ccccc3
|
|
|
428
|
CN(C)C1=NC(N=C(O1)c2ccco2)(C(F)(F)F)C(F)(F)F
|
|
|
429
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
|
430
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
431
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
432
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
433
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
434
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
|
435
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
|
436
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
437
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
438
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
|
439
|
|
|
|
440
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
441
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
442
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
|
443
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
444
|
CC1=CC(=C(O[C@@H]1c2cccnc2)C)C(=O)OC
|
|
|
445
|
c1ccc2c(c1)Nc3cc(nnc3S2)Cl
|
|
|
446
|
c1ccc2c(c1)C(=O)O[C@@]23Oc4cccnc4S3
|
|
|
447
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
448
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
449
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
450
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
451
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
452
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
453
|
|
|
|
454
|
c1cc(ccc1c2nnnn2c3cnccn3)Cl
|
|
|
455
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
456
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
457
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
|
458
|
COc1ccc2c(cc(=O)oc2c1)c3c(c4ccccc4s3)O
|
|
|
459
|
CC(=O)OC(c1ncccn1)(C(=O)c2ccccc2)OC(=O)C
|
|
|
460
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
461
|
c1cc(cc(c1)N)c2c3c(c4n2CCC4)c(=O)[nH]nc3[O-]
|
|
|
462
|
COC(=O)C1=C(C(=C2C=CC=CN2C1)C(=O)OC)C(=O)OC
|
|
|
463
|
c1ccc(c(c1)NC(=O)[C@@H]2CC(=O)N=C3[C@@H]2C(=O)CCC3)F
|
|
|
464
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
|
465
|
Cc1nc2c3c(sc2c(=O)o1)N4CCC[C@@H]4N=C3
|
|
|
466
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
467
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
468
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
469
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
470
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
471
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
472
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
473
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
474
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
475
|
CC1=C(C[C@@H](C(=O)N1)C#N)c2ccc(cc2)n3ccnc3
|
|
|
476
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
477
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
478
|
CN1CCC2C1CCC3C2OS(=O)(=O)C=C3N4CCOCC4
|
|
|
479
|
c1ccc(cc1)C2=CSc3nc(nc(=[NH2+])n3N2)N
|
|
|
480
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
481
|
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])c2ccco2
|
|
|
482
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
483
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
484
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
485
|
CC(C)n1/c(=N/c2ccccc2)/c3ccccc3nn1
|
|
|
486
|
Cnccs/c1=NC(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
487
|
CC1(c2c(nc(s2)[O-])SC(=C1C(=O)OC)C(=O)OC)C
|
|
|
488
|
c1ccc2c(c1)C=Nc3c(ncnc3O2)N4CCOCC4
|
|
|
489
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
490
|
CCOC(=O)c1c(cn2c1SCC2=O)c3ccc(cc3)F
|
|
|
491
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
492
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
493
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
494
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
495
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
496
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
497
|
c1ccc2c(c1)c3c(o2)c(c4c(n3)CCS4)c5ccco5
|
|
|
498
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
499
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
500
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
|
501
|
CC1=NC(=NC([C@H]1C#N)(C(F)(F)F)C(F)(F)F)c2ccco2
|
|
|
502
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
503
|
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
|
|
|
504
|
CN1CCN(CC1)C2=Nc3cc(ccc3Cc4c2cccc4)F
|
|
|
505
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
506
|
CC(C)C[C@@H](/C(=C/n1cncn1)/c2ccccc2)n3cncn3
|
|
|
507
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
508
|
|
|
|
509
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
510
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
511
|
CCOC(=O)c1c(c(ccc1N(C)C)[C@@H]2C=CNC(=O)N2)C
|
|
|
512
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
513
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
514
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
515
|
|
|
|
516
|
C[C@@H](c1ccc(cc1)CC(C)C)/C(=N/S(=O)(=O)C)/[O-]
|
|
|
517
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
518
|
Cc1cs/c(=NC)/n1NC(=O)Nc2ccc(cc2)Cl
|
|
|
519
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
520
|
C1CC(CCC1NC(=O)C2=C([C@@H]3C=C[C@H]2O3)C(=O)[O-])CL
|
|
|
521
|
CC1(OC(=O)C(=c2c3cccc4c3c([nH]2)ccc4)C(=O)O1)C
|
|
|
522
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
523
|
c1ccc(cc1)NC(=O)N(c2ccccc2)C3=NCCC3
|
|
|
524
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
525
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
526
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
527
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
528
|
|
|
|
529
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
530
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
531
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
532
|
CC(C)(C)OC(=O)N(C)c1ccnc2c1cc[nH]2
|
|
|
533
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
534
|
C[C@@]12CCC3=C([C@@H]1CC[C@@H]2O)CC4CNN(C4C3)C5CCCCC5
|
|
|
535
|
Cc1cc(nc(n1)Nn2c(cc(c(c2=O)C(=O)C)[O-])C)C
|
|
|
536
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
537
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
538
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
539
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
540
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
541
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
542
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
543
|
|
|
|
544
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
545
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
546
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
547
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
548
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
549
|
C1CCC(CC1)C2=CC3CCCN3-C4CCCCC4S2(=O)=O
|
|
|
550
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
551
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
552
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
553
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
554
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
555
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
556
|
|
|
|
557
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
558
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
559
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
560
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
561
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
562
|
CC[C@@H]1c2c(c3ccccc3oc2=O)Oc4c1c(=O)[nH]c(n4)C
|
|
|
563
|
Cn1c2cccc3c2c(n1)-c4ccccc4C3=O
|
|
|
564
|
c1cocc1c2c(cc3c(n2)CCC3)C(=O)N
|
|
|
565
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
|
566
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
|
567
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
568
|
|
|
|
569
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|