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Virtual screening for IDP 3IJ5 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
2
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
3
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
4
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
5
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
6
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
7
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
8
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
9
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
10
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
11
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
12
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
13
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
|
14
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
15
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
16
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
17
|
c1ccc2c(c1)CCc3c(cc(cc3O2)N)N
|
|
|
18
|
|
|
|
19
|
|
|
|
20
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
21
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
22
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
23
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
24
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
25
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
26
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
27
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
28
|
C[C@@]1(CCC=C1CC(=O)[O-])c2ccccc2
|
|
|
29
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
30
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
31
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
32
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
33
|
CC1CC2C(CC1C)N(C3C(C(=O)[NH]C(N3)N)C2(C)C)C
|
|
|
34
|
C[C@@]12C(c3ccccc3N1Cc4cc(ccc4O2)N)(C)C
|
|
|
35
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
|
36
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
|
37
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
38
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
39
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
40
|
c1cc(oc1)/C=c/2c(=O)[nH]/c(=Cc3ccco3)/c(=O)[nH]2
|
|
|
41
|
C1CCC2C(C1)-C3CCCCC3[C@H]4[C@@H]2CC(=O)O[C@@H]4C(=O)[O-]
|
|
|
42
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
43
|
CC1=CC2=C(C(=O)O[C@@]2([C@@H](C1)C3CCCCC3)C)C(=O)N
|
|
|
44
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
45
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
46
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
|
47
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
48
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
|
49
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
50
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
51
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
52
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
53
|
CC1=C[C@@H](c2c(=O)c(c(oc2S1)N)C#N)c3ccoc3
|
|
|
54
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
55
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
56
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
57
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
58
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
59
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
60
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
61
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
62
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
63
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
64
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
65
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
66
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
67
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
68
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
69
|
CC1([C@@H](N(C(=O)N1C)c2cccc3c2cccc3)n4cncn4)C
|
|
|
70
|
COC1=CC=C2[C@@H](N1)Sc3c(=O)[nH]c(nc3N2)N
|
|
|
71
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
72
|
C[C@@H]1CC2=C([C@@H](Sc3ccccc3N2)c4ccccc4)C(=O)C1
|
|
|
73
|
c1ccc2c(c1)c(c3ccccc3n2)Nn4cnnc4
|
|
|
74
|
|
|
|
75
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
|
76
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
77
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
78
|
|
|
|
79
|
c1cc(ccc1C(=C2C=CC(=N)C=C2)c3ccc(cc3)N)N
|
|
|
80
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
81
|
Cc1coc(=O)c2c1Sc3ccccc3N[C@@H]2c4ccccc4
|
|
|
82
|
c1ccc(cc1)[C@@H]2NC(=[NH2+])Nc3n2c4ccccc4n3
|
|
|
83
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
84
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
85
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
86
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
87
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
88
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
89
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
90
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
91
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
92
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
93
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
94
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
95
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
96
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
97
|
c1ccc2c(c1)-c3ccccc3C24CNC(=O)O4
|
|
|
98
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
99
|
c1csc(c1Cl)c2c[nH]c(c2C#N)N
|
|
|
100
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
101
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
102
|
CN1c2ccccc2[C@@]3(C1=O)N=C(c4ccccc4N3C)C(=O)[O-]
|
|
|
103
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
104
|
CC(C)(C)C1=C(N2[C@H](O1)[C@@H](C2=O)[C@@H](c3ccncc3)O)C(=O)[O-]
|
|
|
105
|
CCOC(=O)C1=C(N=C(N[C@H]1c2ccccc2)O)C
|
|
|
106
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
107
|
c1ccc2c(c1)[C@@H](OC2=O)c3c(c(=O)cc(o3)CO)O
|
|
|
108
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
109
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
110
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
111
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
112
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
113
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
114
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
115
|
Cc1c(nnc(c1c2c(cc(cn2)C(F)(F)F)Cl)O)C
|
|
|
116
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
117
|
C[C@@H]1c2nnc(n2N[C@@H](O1)c3ccccc3Cl)[C@@H](C)O
|
|
|
118
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
119
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
120
|
Cc1ccc2c(c1)c(cc(=O)o2)N3C[C@H]4C[C@@H]3c5n4c(=O)ccc5
|
|
|
121
|
c1ccc2c(c1)ccc3c2[C@@]4(CCO3)c5ccccc5C=C[C@@H]4O
|
|
|
122
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
123
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
124
|
CCc1c([nH]c(=O)c(c1Cc2cc(cc(c2)C)C)n3cccc3)C
|
|
|
125
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
126
|
CN1C=C[C@@H]2c3ccccc3[C@@H](C2=C1)c4ccccc4
|
|
|
127
|
c1ccc(cc1)[C@@H]2C=C(N3C(=N2)N=NN3)c4ccccc4
|
|
|
128
|
Cc1cc(c(=O)n(c1)Cc2cccc(c2)F)NS(=O)(=O)C
|
|
|
129
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
|
130
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
131
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
132
|
Cc1c(sc2c1c(=O)[nH]nn2)C
|
|
|
133
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
134
|
Cc1c(c2c(c(c1N)C)[C@@H](C(O2)(C)C)c3cccnc3)C
|
|
|
135
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
136
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
137
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
|
138
|
CN1c2ccccc2Oc3ccc(cc3S1(=O)=O)C(=O)[O-]
|
|
|
139
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
140
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
141
|
|
|
|
142
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
143
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
144
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
145
|
C[C@@]1(c2cccn2-c3ccccc3CO1)C(=O)[O-]
|
|
|
146
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
147
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
148
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
149
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
150
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
151
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2c[nH]n3)O
|
|
|
152
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
153
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
|
154
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
155
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
156
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
157
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
158
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
159
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
160
|
CC1=NNC2=Nc3ccccc3[C@@H](N12)c4ccccc4
|
|
|
161
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
|
162
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
163
|
c1ccc(c(c1)[C@@H]2c3ccsc3[C@@H]4CCCC[C@@H]4O2)N
|
|
|
164
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
|
165
|
|
|
|
166
|
C1CCC(CC1)C2(C3C(CCS3)C(=O)O2)C4CCCCC4
|
|
|
167
|
CC1(COC(=N1)CN(Cc2ccccc2)Cc3ccccc3)C
|
|
|
168
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
169
|
[H]/N=C/[C@@H](c2c(nc3ccccc3n2)Sc4ccccc4N1)C#N
|
|
|
170
|
c1ccc2c(c1)C(=O)C(C2=O)(c3c([nH]c(=O)[nH]c3=O)[O-])O
|
|
|
171
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
172
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
173
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
174
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
175
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
176
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
177
|
c1cc(ccc1c2cc(n(n2)C(=O)c3c(n[n-]n3)Cl)N)Cl
|
|
|
178
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
179
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
180
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
181
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
182
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
|
183
|
CCN(c1ccccc1)C2=CC(=O)N[C@@H]3N2CCCC3
|
|
|
184
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
185
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
186
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
187
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
188
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
|
189
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
190
|
C1CCC(CC1)C2C(N3N(C2=O)[C@@H]4C[C@H]3C=C4)C5CCCCC5
|
|
|
191
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
192
|
CN1C2CCC3C(C2SC1=O)C(=O)C(CN3OC)C(=O)[O-]
|
|
|
193
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
194
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
|
195
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
196
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
197
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
198
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
|
199
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
|
200
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
201
|
c1cc(ccc1/C=c/c(=O)n3c(=O)c(c(nc3s2)O)N)F
|
|
|
202
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
203
|
c1ccc(cc1)[C@@H]2CC(=O)[C@@H](c3n2c4ccccc4n3)C#N
|
|
|
204
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
205
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
206
|
COc1cc2c(cc1OC)[C@@H]3CC4=C(CCCN4)C(=O)N3CC2
|
|
|
207
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
208
|
|
|
|
209
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
210
|
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4NC(=O)C2
|
|
|
211
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
212
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
213
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
214
|
c1ccc2c(c1)c3c([nH]2)[C@@]45CCCC=C4N(C(=O)N5CC3)CCO
|
|
|
215
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
216
|
c1cc(=O)n2n(c1=O)CN(C2)n3cnnc3
|
|
|
217
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
218
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
219
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
220
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
221
|
c1ccc2c(c1)nc3n2[C@@H](NC(=[NH+]3)N)c4ccco4
|
|
|
222
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
223
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
224
|
|
|
|
225
|
Cc1ccc(cc1)[S@@](=NC(=O)C)(=O)Oc2ccccc2
|
|
|
226
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
227
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
228
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
229
|
COCCN1C2C(C(NC(N2)N)N)N=C3C1=CCCC3
|
|
|
230
|
C1C[C@@H]2C[C@H]1[C@@H]3C2=Cc4c([nH]c(=O)s4)S3
|
|
|
231
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
232
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
233
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
234
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
|
235
|
c1ccc(cc1)C2=N[C@@H]3N(C2)c4ccc(cc4S3)C(=O)[O-]
|
|
|
236
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
237
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
|
238
|
c1cc(ccc1C2=C(CCC2)c3ccncc3)F
|
|
|
239
|
CC1=C([C@@]2(c3ccccc3-c4c2nc(o4)N)C(=O)N1)C(=O)OC
|
|
|
240
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
241
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
242
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
243
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
244
|
COC(=O)[C@@]12CC3CCCCC3[C@@H]([C@@H]1C4C2CCCC4)O
|
|
|
245
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
246
|
CCCCN1[C@@H](C(=C(C1=O)C)C)Nc2ccc(cc2)C#N
|
|
|
247
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
248
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
249
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
250
|
Cc1csc(=O)n1CCn2cc(ccc2=O)C(F)(F)F
|
|
|
251
|
CN1CCN(CC1)C2=Cc3ccccc3Sc4c2cccc4
|
|
|
252
|
c1cc2c(cc1CN3[C@@H]4C=CC=C[C@H]4C(=O)C3=O)OCO2
|
|
|
253
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
|
254
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
255
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
256
|
COC(=O)C1=NC(=N)N=C(C12c3ccccc3CC2=O)C(=O)OC
|
|
|
257
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
|
258
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
259
|
CC1=C([C@@H](C2=CNNC2=N1)c3ccccc3)C(=O)OC
|
|
|
260
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
261
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
262
|
CC1C(N2C(NCN2)NN1)N(C)C3CCCCC3
|
|
|
263
|
Cc1csc(n1)[C@@H](C#N)C2=NS(=O)(=O)c3c2cccc3
|
|
|
264
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
265
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
266
|
Cc1c(c(n(n1)C)Sc2ccc(cc2)Cl)C(=O)N
|
|
|
267
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
268
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
269
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
270
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
|
271
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
272
|
c1ccc(cc1)C2([C@@H]3C=CC[C@@H]3C2=O)c4ccccc4
|
|
|
273
|
c1ccc(c(c1)C2=NCCC(=O)c3c2cc(cc3)Cl)F
|
|
|
274
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
275
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
|
276
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
|
277
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
278
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
279
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
280
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
281
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
282
|
|
|
|
283
|
c1ccc2c(c1)CCNC(=O)C(=O)N2
|
|
|
284
|
Cc1ccccc1[C@@H]2N=C(Nc3n2c4ccccc4c(=O)n3)N
|
|
|
285
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
286
|
C1CCC(CC1)C2(CN3CCOC3=N2)C4CCCCC4
|
|
|
287
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
288
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
289
|
c1ccc2c(c1)C3C(O2)(C4C3(Oc5c4cccc5)C#N)C#N
|
|
|
290
|
CCc1c2cc(ccn2c(=O)c3c1s[nH]c3=O)c4ccncc4
|
|
|
291
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
292
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
|
293
|
c1cc(ccc1[C@@]2(CSc3n2c(=O)cc(c3)N)O)Cl
|
|
|
294
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
295
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
296
|
|
|
|
297
|
c1cc(ccc1[C@@]2(NC(=O)N=C3N2C=CC=C3)C(F)(F)F)Cl
|
|
|
298
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
299
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
300
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
301
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
302
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
303
|
CC(=O)N[C@@H]1CCC2CCCCC2-C3C1CC(=O)CCC3
|
|
|
304
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
305
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
306
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
307
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
308
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
309
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
|
310
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
311
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
312
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
313
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
314
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
315
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
|
316
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
|
317
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
318
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
319
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
|
320
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
321
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
322
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
323
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
324
|
Cc1c2c([nH]n1)C(=O)N([C@H]2c3ccccc3)c4ccccn4
|
|
|
325
|
c1ccc(cc1)[C@@H]2Nc3c(cnn3c4ccccc4)C(=O)N2
|
|
|
326
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
327
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
|
328
|
c1ccc2c(c1)N(CCO2)c3ccc(s3)C(=O)[O-]
|
|
|
329
|
Cc1cc(c(nn1)[O-])c2nc3ccccc3n2C
|
|
|
330
|
C1CCC(CC1)C2CC(O/C(=N/N3CNNC3)/C2)C4CCCCC4
|
|
|
331
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
332
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
|
333
|
Cc1c(c(n[nH]1)n2cnnc2)c3ccc(cc3)OC
|
|
|
334
|
c1ccc(cc1)N2[C@H]3C[C@@H]4[C@@H]2[C@@H](CC3=O)c5c4cccc5
|
|
|
335
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
336
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
337
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
338
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
339
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
340
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
341
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
342
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
343
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
344
|
CCOC(=O)C=NN=C/C1=N/NSC2CCC(CC2)C
|
|
|
345
|
CC1(C=C2c3cccc(c3C(=O)N2c4c1cccc4)C(=O)[O-])C
|
|
|
346
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
347
|
c1ccc2c(c1)nc3n2-c4ccc(cc4CS3)N
|
|
|
348
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
349
|
Cc1c(snn1)C(=O)N=[S@](=O)(C)c2ccccc2
|
|
|
350
|
c1ccc(cc1)Oc2cnns2
|
|
|
351
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
352
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
|
353
|
c1cc(sc1/C=C/2C(=NC(=O)N2)[O-])Br
|
|
|
354
|
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])c2ccco2
|
|
|
355
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
356
|
CSc1nc(c(n1Cc2ccco2)C#N)N
|
|
|
357
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
358
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
359
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
360
|
c1cc(cc2c1cc3c([o+]2)/C=Cc4ccc(cc4OC3=O)O)O
|
|
|
361
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
|
362
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
363
|
c1ccc2c(c1)-c3c[nH]c4c3c(ccc4)C2=O
|
|
|
364
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
365
|
CC(=O)N1C[C@@H](C=C1c2ccccc2)c3ccccc3
|
|
|
366
|
CC(C)CCN1C=N[C@@H]2C1=NC(=NC2=O)N
|
|
|
367
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
368
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
369
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
370
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
371
|
|
|
|
372
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
|
373
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
374
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
375
|
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
|
|
|
376
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
377
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
378
|
c1ccc(cc1)S(=O)(=O)[N-]c2c3ccccc3oc2C#N
|
|
|
379
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
380
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
381
|
Cc1c(n2ccccc2n1)Sc3ccccc3
|
|
|
382
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
383
|
c1ccc(cc1)C2([C@@H]3[C@@H](C2=O)CCCO3)c4ccccc4
|
|
|
384
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
385
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
386
|
Cn1cnc2c(c1=O)noc2C(=O)c3ccccc3
|
|
|
387
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
388
|
CCC1=C([C@@H](C(=O)N=C1C)C=C)Oc2cc(cc(c2)C)C
|
|
|
389
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
390
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
391
|
c1ccc(cc1)C2(OCCO2)S(=O)(=O)c3ccccc3
|
|
|
392
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
393
|
Cc1c(c(n(n1)C(C)(C)C)OC(=O)C)Sc2ccccc2
|
|
|
394
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
|
395
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
396
|
c1ccc2c(c1)C(=O)Nc3ccccc3S2
|
|
|
397
|
C1CCC(CC1)/C=C/2CCCCC(=O)N2
|
|
|
398
|
|
|
|
399
|
Cc1[nH]c(c(n1)[C@@H](c2ccc(cc2)F)C(C#N)C#N)[O-]
|
|
|
400
|
CC1(C=C(c2c1ccc(c2)C#N)n3ccccc3=O)C
|
|
|
401
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
402
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
403
|
COC(=O)c1cc(=O)n2c(c1C(=O)c3cccs3)SCC2
|
|
|
404
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
|
405
|
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
406
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
407
|
CC1=C(c2ccccc2C1)Sc3ccccc3
|
|
|
408
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
409
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
410
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
411
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
412
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
413
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
414
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
415
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
416
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
|
417
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
418
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
|
419
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
|
420
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
421
|
|
|
|
422
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
423
|
C[C@@H](c1ccc(cc1)CC(C)C)/C(=N/S(=O)(=O)C)/[O-]
|
|
|
424
|
c1ccc2c(c1)CCC3=C2CCC(=O)N3
|
|
|
425
|
C1Cc2c(sc3c2c(c(c(=O)[nH]3)C#N)N)C1
|
|
|
426
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
427
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
428
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
429
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
430
|
CC(C)(C)[C@@]1(NC(=O)N2C=CC=CC2=N1)c3ccccc3
|
|
|
431
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
|
432
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
433
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
|
434
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
435
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
436
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
437
|
CNC1=N[C@H](N(S1)c2ccccc2)c3ccccc3
|
|
|
438
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
439
|
|
|
|
440
|
c1ccc(cc1)[S@@]2=NS(=O)(=O)c3c2cccc3
|
|
|
441
|
c1ccc(cc1)C2=NCc3nncn3-c4c2cc(cc4)Cl
|
|
|
442
|
Cn1c2c(cn1)CN(CC2)S(=O)(=O)c3ccc(cc3)Cl
|
|
|
443
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
444
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
445
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
446
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
447
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
448
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
449
|
C[C@@H]1N([C@@H]2c3cccc4c3c(ccc4)[C@@H]2O1)c5ccccc5
|
|
|
450
|
CC1(C=C(c2cc(ccc2C1=O)Br)c3ccccn3)C
|
|
|
451
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
|
452
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
453
|
Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
|
|
|
454
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
455
|
CC1CC(N(N1)C(=O)C2CNN3C2N(CCC3=O)C(C)C)C
|
|
|
456
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
457
|
C1CCC(CC1)[S@@]2(=NC3C(CCCC3O)C=C2)=O
|
|
|
458
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
459
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
460
|
CCN1C(=O)C[C@@]2([C@@]1(c3ccccc3C2=O)O)c4ccccc4
|
|
|
461
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
462
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
463
|
C1CCC(CC1)[C@@H]2CC(=O)NC3C2C(OC(=O)C3C#N)N
|
|
|
464
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
|
465
|
c1ccc2c(c1)-c3c(cc(s3)C(=O)[O-])CS2
|
|
|
466
|
c1ccc2c(c1)C(c3ccccc3O2)c4nnc(o4)[O-]
|
|
|
467
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)OC4
|
|
|
468
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
|
469
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
|
470
|
c1nc([nH]n1)OC23CC4CC(C2)CC(C4)C3
|
|
|
471
|
CCOC1=N[C@@]2([C@@]1(SC3C2CCCC3)C)C4CCCCC4
|
|
|
472
|
c1cc(sc1)CCc2c(cco2)C(=O)[O-]
|
|
|
473
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
474
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
|
475
|
c1ccc(c(c1)N)Sc2cc(nnc2Cl)Cl
|
|
|
476
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
|
477
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
478
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
479
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
480
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
481
|
CCS(=O)(=O)c1ccc(c(c1)n2c(c[nH]c2=O)O)OC
|
|
|
482
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
|
483
|
[H]/N=C/1NC(=C2C(=Nc3ccc(nc3S2)OC)[N-]1)N
|
|
|
484
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
485
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
486
|
CCCCc1ccc(cc1)On2ccc(=O)cc2
|
|
|
487
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
488
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
489
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
|
490
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
|
491
|
Cn1c2ccccc2n3c1n[nH]c3=O
|
|
|
492
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
493
|
CC(=C1N2c3ccccc3S[C@@H]2C(C(=O)O1)(C)C)C
|
|
|
494
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
|
495
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
496
|
c1ccc2c(c1)c(=O)c3=c(c2=O)sc(c(s3)C#N)C#N
|
|
|
497
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
498
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
499
|
CCCc1c(ccc2c1oc(=O)cc2C)SC(=O)N(C)C
|
|
|
500
|
CC(C)(C)c1cc(c2c([o+]1)-c3ccccc3OC2)c4ccccc4
|
|
|
501
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
|
502
|
|
|
|
503
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
|
504
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
505
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
506
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
507
|
c1ccc(cc1)/C/2=[NH+]/CCNC(=O)c3c2cccc3
|
|
|
508
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
509
|
C1CCC2C(C1)CC[C@@H]3[C@@H]2NC3=O
|
|
|
510
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
511
|
Cc1cc(nc(n1)Sc2c(c(nc(c2F)F)F)F)C
|
|
|
512
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
|
513
|
C=C1c2ccccc2C=Cc3c1cccc3
|
|
|
514
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
515
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
516
|
C[C@@]12[C@@H](CC(=O)O1)C(O2)(C3CCCCC3)C4CCCCC4
|
|
|
517
|
c1ccc(cc1)[C@@H]2N=C(N=C3N2c4ccccc4S3)N
|
|
|
518
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
519
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
520
|
c1ccc-2c(c1)CSc3c2nc(nc3)N
|
|
|
521
|
Cc1cc2c(c(=O)o1)[C@@H](Sc3ccccc3N2)c4ccco4
|
|
|
522
|
Cc1cnc(s1)[C@@]2(Cc3ccccc3N4[C@@H]2CCC4)C#N
|
|
|
523
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
524
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
525
|
Cc1ccc(n1C2c3ccccc3Oc4c2cccc4)C
|
|
|
526
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
527
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
528
|
CC(C)(C)Cn1c(cc2c1nc(nc2)C#N)COc3ccncc3
|
|
|
529
|
c1ccc(cc1)c2c-3n(cccc3oc2=O)c4ccccc4
|
|
|
530
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
531
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
532
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
533
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
|
534
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
535
|
CC1(OC(=C(C(=O)O1)[C@@H](c2ccco2)[C@@H](C#N)C(=O)N)O)C
|
|
|
536
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
537
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
538
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
|
539
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
540
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
|
541
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
542
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
543
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
544
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
|
545
|
c1ccc(cc1)c2ncnn2c3c(c4c(s3)CCCC4)C#N
|
|
|
546
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
547
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
548
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
549
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
550
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
551
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
552
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
553
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
|
554
|
C1CCC2C(C1)CCN3[C@@H]2CCC4=C3CNC4=O
|
|
|
555
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
556
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
557
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
558
|
c1cc(c2c(c1)SCc3ccsc3C2=O)N
|
|
|
559
|
CC1(OC[C@@H]([C@H](O1)CCO)/C=C/C=CCCCC(=O)OC)C
|
|
|
560
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
561
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
562
|
CCOC(=O)C1=C2[C@@H](c3ccccc3OC2=O)N(C(=O)C1)C
|
|
|
563
|
CC1(C=Cc2c(c3ccccc3[nH]c2=O)O1)C
|
|
|
564
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
565
|
Cc1ccc(n1c2ccc3c(c2)nns3)C
|
|
|
566
|
|
|
|
567
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F |