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Virtual screening for IDP 3SS6 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
2
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
3
|
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
|
|
|
4
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
5
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
6
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
7
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
8
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
9
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
10
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
11
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
12
|
|
|
|
13
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
14
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
15
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
16
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
17
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
18
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
19
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
20
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
21
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
22
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
23
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
24
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
25
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
26
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
27
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
28
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
29
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
30
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
31
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
32
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
33
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
34
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
35
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
36
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
37
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
38
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
39
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
40
|
Cc1ccc(cc1)N2Cc3ccccc3C=C2N
|
|
|
41
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
42
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
43
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
44
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
45
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
46
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
47
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
48
|
Cc1ccc(cc1)S(=O)(=O)n2ccc3c2C(=O)[C@@H](C3)C
|
|
|
49
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
50
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
51
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
|
52
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
53
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
54
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
55
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
56
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
57
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
58
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
59
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
60
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
61
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
62
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
63
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
64
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
65
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
66
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
67
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
68
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
|
69
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
70
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
71
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
72
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
73
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
74
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
75
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
76
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
77
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
78
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
79
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
80
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
81
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
82
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
|
83
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
84
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
85
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
86
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
87
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
88
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
89
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
90
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
91
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
92
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
|
93
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
94
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
95
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
96
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
97
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
98
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
99
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
100
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
101
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
102
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
103
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
104
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
105
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
|
106
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
107
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
108
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
109
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
110
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
111
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
112
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
113
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
114
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
115
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
116
|
COc1ccc(cc1)C2=NNC(=C3C(=NN=C3N)N)O2
|
|
|
117
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
118
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
119
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
120
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
121
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
122
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
123
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
124
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
125
|
|
|
|
126
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
127
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
128
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
129
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
130
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
131
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
132
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
133
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
134
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
135
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
136
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
137
|
C1CCC(CC1)/C=C/2CC-3OC(=O)C4C3C(C2=O)CCC4
|
|
|
138
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
139
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
140
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
141
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
142
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
143
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
144
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
145
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
146
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
147
|
Cc1c2c3c(cnc2sn1)c(n(n3)c4ccc(cc4)Cl)O
|
|
|
148
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
149
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
150
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
151
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
152
|
|
|
|
153
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
154
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
155
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
156
|
Cc1ncc(n1c2nc(cs2)c3ccccc3)NC(=O)C
|
|
|
157
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
|
158
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
159
|
c1ccc(cc1)c2ccn3c(c2)ncc3c4cnsc4
|
|
|
160
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
161
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
162
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
163
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
164
|
CC(C)(C)c1cc(no1)n2c(=O)c3ccccc3[nH]c2=O
|
|
|
165
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
|
166
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
167
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
168
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
169
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
170
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
171
|
Cc1c(nc2n1-c3ccccc3C2)c4ccc(cc4)OC
|
|
|
172
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
173
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
174
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
175
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
176
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
177
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
178
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
179
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
180
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
181
|
COc1cc(ccc1O)C#CC#CCN2CCCCC2
|
|
|
182
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
183
|
|
|
|
184
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
185
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
186
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
187
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
188
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
189
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
190
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
191
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
192
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
193
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
194
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
195
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
196
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
197
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
|
198
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
199
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
200
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
201
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
202
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
203
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
204
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
205
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
|
206
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
207
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
208
|
Cn1cc(ccc1=O)c2nnc(o2)c3cc4c(s3)CCC4
|
|
|
209
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
210
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
211
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
|
212
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
213
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
214
|
CN1C/C(=Cc2sccc2)/C(/C(=C/c3sccc3)/C1)O
|
|
|
215
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
216
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
217
|
Cc1csc(=O)n1CCn2cc(ccc2=O)C(F)(F)F
|
|
|
218
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn2C)C(F)(F)F
|
|
|
219
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
220
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
221
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
|
222
|
Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
|
|
|
223
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
224
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
225
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
226
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
227
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
228
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
229
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
230
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
231
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
232
|
C1CCC(CC1)C2NCC3N2NCN3C4CCCCC4
|
|
|
233
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
234
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
235
|
C1CC(CCC1CC2CC(=O)C3C(S2)CCS3)F
|
|
|
236
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
237
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
238
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
239
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
240
|
c1cc(ccc1n2c(c3c(n2)[C@@H]4CCC[C@@H]4N=C3)[O-])Cl
|
|
|
241
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
242
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
243
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
244
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
245
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
246
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
247
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
248
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
|
249
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
250
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
251
|
Cn1cc(c(c1[C@@H]2CCCO2)C(=O)[O-])c3ccccc3
|
|
|
252
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
253
|
|
|
|
254
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
255
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
256
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
257
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
258
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
259
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
260
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
261
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
262
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
263
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
264
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
265
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
266
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
267
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
|
268
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
269
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
270
|
Cc1[nH]cc([nH+]1)S(=O)(=O)[N-]c2cc(nn2C)c3ccccc3
|
|
|
271
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
272
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
|
273
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
274
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
275
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
|
276
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
277
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
278
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
279
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
280
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
281
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
282
|
c1ccc(cc1)S(=O)(=O)CC2=Nc3cccn3C2=O
|
|
|
283
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
284
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
285
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
286
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
287
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
288
|
CC(=O)N1C[C@@H]2CC[C@@]([C@@H]2C1)(c3cccc(c3)OC)O
|
|
|
289
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
290
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
291
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
292
|
C[C@@H]1N([C@@H]2c3cccc4c3c(ccc4)[C@@H]2O1)c5ccccc5
|
|
|
293
|
|
|
|
294
|
Cc1c(c[nH]n1)c2nc(no2)c3ccc(cc3)Cl
|
|
|
295
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
296
|
Cc1ccc(cc1)S(=O)(=O)/N=c/c3c(ss2)CCC3
|
|
|
297
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
298
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
299
|
|
|
|
300
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
301
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
|
302
|
CC(C)(C)n1c(=O)nc2n1cc(s2)N(C)c3ccccc3
|
|
|
303
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
304
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
305
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
306
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
307
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
308
|
|
|
|
309
|
Cc1ccc(cc1)Nc2[nH+]c(=O)cc(s2)C
|
|
|
310
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
|
311
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
312
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
313
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
314
|
COc1ccc(cc1)C2=Nc3ccccc3SCN2
|
|
|
315
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
316
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
317
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
318
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
319
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
320
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
321
|
c1ccc(cc1)c2cc(=O)on2S(=O)(=O)c3ccccc3
|
|
|
322
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
323
|
c1cc(ccc1C(=O)N2CC=C(N=CC2)C(F)(F)F)Cl
|
|
|
324
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
325
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
326
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
327
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
|
328
|
CC1(Cc2c(n3c(c2C#N)nc(cn3)c4ccccc4)CO1)C
|
|
|
329
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
330
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
331
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
332
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
333
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
334
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
335
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
336
|
|
|
|
337
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
338
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
339
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
340
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
341
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
342
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
343
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
344
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
345
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
|
346
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
347
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
348
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
349
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
350
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
351
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
352
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
353
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
354
|
COc1ccc(cc1)/C=C/c2nc3c(o2)C=CCC3
|
|
|
355
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
356
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
357
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
358
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
359
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
|
360
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
361
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
362
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
363
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
364
|
Cc1cc(c(=O)n(c1)Cc2cccc(c2)F)NS(=O)(=O)C
|
|
|
365
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
366
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
367
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
368
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
369
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
370
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
371
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(s3)Br
|
|
|
372
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
373
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
374
|
|
|
|
375
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
376
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
|
377
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
378
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
379
|
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
|
|
|
380
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
381
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
382
|
|
|
|
383
|
|
|
|
384
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
385
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
386
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
387
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
|
388
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
389
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
390
|
CC(=O)N1C[C@@H](C=C1c2ccccc2)c3ccccc3
|
|
|
391
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
392
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
393
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
|
394
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
395
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
396
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
397
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
398
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
|
399
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
|
400
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
401
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
402
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
403
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
404
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
405
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
406
|
Cn1cc(c(=O)n(c1=O)C)S(=O)(=O)Oc2ccccc2
|
|
|
407
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
408
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
|
409
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
410
|
CC(C)(C)OC(=O)N1c2cscc2-c3cccnc3[C@@H]1O
|
|
|
411
|
CN1C(=[NH2+])[C@H]([NH+]=C1C2CCCC2)c3cccc(c3)Cl
|
|
|
412
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
413
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
414
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
415
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
416
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
417
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
418
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
419
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
420
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
421
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
422
|
c1ccc(cc1)c2cc(c(o2)n3cccc3)C#N
|
|
|
423
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
424
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
425
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
426
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
427
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
428
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
|
429
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
430
|
C[C@@H]1C=C([C@H]2C(=N[NH+]=C2N1)c3ccccc3)C
|
|
|
431
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
432
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
433
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
434
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
435
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
436
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
437
|
Cn1cc(nn1)NC(=O)c2ccc(cc2)Cn3cccc3
|
|
|
438
|
c1ccc(cc1)S[C@@H]2c3ccccc3C(=O)O2
|
|
|
439
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
440
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
441
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
442
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
443
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
444
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
445
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
446
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
447
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
448
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
449
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
450
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
451
|
c1ccc(cc1)/C=C/C#Cc2ccccc2
|
|
|
452
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
|
453
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
454
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
455
|
C[C@@H](C(=O)N1CCCS1(=O)=O)Oc2ccc(cc2)C#N
|
|
|
456
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
457
|
C1CCC2(CC1)N3C(=NC(=O)O2)OC4(CCCCC4)OC3=O
|
|
|
458
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
459
|
C1CCC(CC1)CC[C@@]2(CC(OC2)(C(F)(F)F)C(F)(F)F)O
|
|
|
460
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
461
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
462
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
463
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
|
464
|
CNC=CC=C/C1=CS(=O)(=O)c2ccccc2
|
|
|
465
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
466
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
|
467
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
468
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
469
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
470
|
CC1C(N(C(C1C#C)C)C)/C=C/C(=C/C(=O)OC)/C
|
|
|
471
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
472
|
CSc1ccc(cc1)c2nc(on2)c3ccc[nH]c3=O
|
|
|
473
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
474
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
475
|
C/C(=C/C=CC=CCc1cnco1)/[C@H](C(C)(C)C(=O)N)O
|
|
|
476
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
477
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
478
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
|
479
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
480
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
481
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
482
|
|
|
|
483
|
[H]/N=C/N/C(=Nc2ccc(c(c2)F)F)/NC(N1)(C)C
|
|
|
484
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
485
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
486
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
|
487
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
488
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
|
489
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
490
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
|
491
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
492
|
Cc1ccccc1SCCN2CCOC2=O
|
|
|
493
|
c1ccc(cc1)C(=O)N2CCC3=CC(=O)O[C@@H]3C2
|
|
|
494
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
495
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
496
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
497
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
498
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
499
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
|
500
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
|
501
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
502
|
CNc1c2c(c3c(n1)oc(n3)c4ccccc4)n(cn2)C
|
|
|
503
|
CCN(CC)S(=O)(=O)c1ccc(cc1)/N=c/2ccccn2C
|
|
|
504
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
|
505
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
506
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
507
|
CC/C(=C/1N=C(C(=O)O1)OC)/C2CCCCC2
|
|
|
508
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
|
509
|
CC1CCC(CC1)S(=O)(=O)NC2CC(C3C(C2C)CCN=C3)C
|
|
|
510
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
511
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
512
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
|
513
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
|
514
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
515
|
|
|
|
516
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
517
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
518
|
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
|
|
|
519
|
Cc1ccc(cc1)S(=O)(=O)Cn2cccc(c2=O)O
|
|
|
520
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
521
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
|
522
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
523
|
|
|
|
524
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
525
|
CN(CCn1cccn1)c2ccccc2
|
|
|
526
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
527
|
c1ccc2c(c1)c3cc(c(cc3o2)n4cccc4)N
|
|
|
528
|
COc1c(nccn1)N2CCC(CC2)NS(=O)(=O)C
|
|
|
529
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
530
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
531
|
c1ccc(cc1)S(=O)(=O)C2=Cc3ccccc3C2
|
|
|
532
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
|
533
|
CS(=O)(=O)c1ccc(cc1)c2nnc(s2)[C@@H]3CCC=CC3
|
|
|
534
|
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
|
|
|
535
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
536
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
537
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
538
|
|
|
|
539
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
540
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
541
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
542
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
543
|
|
|
|
544
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
545
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
546
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
547
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
548
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
549
|
|
|
|
550
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
551
|
|
|
|
552
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
553
|
CCCCc1ccc(cc1)On2ccc(=O)cc2
|
|
|
554
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
555
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
556
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
|
557
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
558
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
559
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
560
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
561
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
562
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
563
|
|
|
|
564
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
|
565
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
566
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
567
|
c1cc(c(cc1n2c(=O)cc3n(c2=O)CCNC3=O)Cl)Cl
|
|
|
568
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
569
|