(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1c(c2n(n1)[C@@H](C(=O)N2)CC(=O)[O-])c3ccccc3
|
|
|
2
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
3
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
4
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
|
5
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
6
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
7
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
8
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
9
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
10
|
c1ccc2c(c1)Nc3cc(cnc3S2)C(=O)[O-]
|
|
|
11
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
12
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
13
|
c1ccc2c(c1)N(CCS2)c3ccc(s3)C(=O)[O-]
|
|
|
14
|
c1c2c(nc3c1c(=O)n(cn3)CC(=O)[O-])CCC2
|
|
|
15
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
16
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
17
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
18
|
CNC(=O)C=NNS/C1=C/2C(=O)N(N=N2)c3ccccc3
|
|
|
19
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
20
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
21
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
22
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
23
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
24
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
25
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
26
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
27
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
28
|
c1ccc(cc1)C(=O)NC2=NC(=O)[C@@H]3C(=N2)[N-]C=N3
|
|
|
29
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
30
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
31
|
CC1(COC(=N1)CN(Cc2ccccc2)Cc3ccccc3)C
|
|
|
32
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
33
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
|
34
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
35
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
36
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
37
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
38
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
39
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
40
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
41
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
42
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
43
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
44
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
45
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
46
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
|
47
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
48
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
49
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
50
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
51
|
CC1(C=C2c3cccc(c3C(=O)N2c4c1cccc4)C(=O)[O-])C
|
|
|
52
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
|
53
|
|
|
|
54
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
55
|
Cn1c(cc(n1)c2ccccc(=O)c2[O-])C(=O)[O-]
|
|
|
56
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
57
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
|
58
|
COC1CCC(CC1)/C=C/C2=C(CCCO2)C(=O)[O-]
|
|
|
59
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
60
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
61
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
62
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
63
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
64
|
Cc1c2c(c(oc2ncn1)c3ccco3)c4ccco4
|
|
|
65
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
|
66
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
67
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
68
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
69
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
70
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
71
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
72
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
73
|
|
|
|
74
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
75
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
76
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
77
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
78
|
|
|
|
79
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
80
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
|
81
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
82
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
83
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
84
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
85
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
86
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
87
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
88
|
C1CCC2C(C1)OC(=C(O2)C(=O)[O-])C(=O)[O-]
|
|
|
89
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
90
|
Cc1c(nnn1c2cc(cnc2C#N)C(F)(F)F)C(=O)C
|
|
|
91
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
92
|
|
|
|
93
|
|
|
|
94
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
95
|
c1nc2n(n1)[C@@H](C(=O)N2)CC(=O)[O-]
|
|
|
96
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
97
|
C1C2CC3CC1CC(C2)(C3)n4nc(c(n4)C(=O)[O-])C(=O)[O-]
|
|
|
98
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
99
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
100
|
c1ccc2c(c1)c(c(s2)NC(=O)O)C#N
|
|
|
101
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
102
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
103
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
104
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
105
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
106
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
107
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
108
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
|
109
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
110
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
111
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
112
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
113
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
114
|
|
|
|
115
|
C[C@H]1c2c(c(=O)cc-3n2CCc4c3cccc4)C(=O)O1
|
|
|
116
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)N2
|
|
|
117
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)N2
|
|
|
118
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
119
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
120
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
121
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
122
|
|
|
|
123
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
124
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
|
125
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
126
|
COC1CCC(CC1)C2=NS(=O)(=O)N=C(O2)OC
|
|
|
127
|
c1ccc2c(c1)c(c3c(n2)CCC3)n4cccn4
|
|
|
128
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
129
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
130
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
131
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
132
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
133
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
134
|
C1CCC2C(C1)C3C(O2)C(=O)C(CS3)C(=O)[O-]
|
|
|
135
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
136
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
137
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
138
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
139
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
140
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
141
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
142
|
CC1=CC(=C2C=CC(=[O+]C)C=C2)C=C(S1)c3ccccc3
|
|
|
143
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
144
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
|
145
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
146
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
147
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
148
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
149
|
CC(=O)n1c2ccccc2c3c1oc(c3C(=O)OC)C(=O)OC
|
|
|
150
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)S2
|
|
|
151
|
|
|
|
152
|
Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
|
|
|
153
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
154
|
c1cc(ncc1C#N)Sc2nccs2
|
|
|
155
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
156
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
157
|
c1ccc(cc1)[C@@H]2[C@@H](C(=O)N=C(N2)N3CCOCC3)C#N
|
|
|
158
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
|
159
|
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
160
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
161
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
162
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
163
|
C[C@@]1([C@@H](c2cc(ccc2OC1(C)C)C#N)Oc3ccccn3)O
|
|
|
164
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
165
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
166
|
|
|
|
167
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
168
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
|
169
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
170
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
171
|
c1cc(ccc1[C@@H]2c3cc4c(cc3NC5=C2C(=O)OC5)OCO4)F
|
|
|
172
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
|
173
|
c1ccc(cc1)C2=CC=CC(C2(O)O)(O)O
|
|
|
174
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
|
175
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
176
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
177
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
|
178
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
179
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
180
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
181
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
|
182
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
183
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
184
|
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])c2ccco2
|
|
|
185
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
186
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
|
187
|
c1cc2c(cc1C(F)(F)F)Nc3c(nnc(n3)[O-])S2
|
|
|
188
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
189
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
190
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
191
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
192
|
C=c1cc(n-2/c(=Cc3ccncc3)/c(=O)nc2[nH]1)[O-]
|
|
|
193
|
CSc1nc2c(cc(s2)c3ccccc3)nn1
|
|
|
194
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
195
|
CN1C=C[C@@H]2c3ccccc3[C@@H](C2=C1)c4ccccc4
|
|
|
196
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
197
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
|
198
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
199
|
CC1(OC[C@@H]([C@H](O1)CCO)/C=C/C=CCCCC(=O)OC)C
|
|
|
200
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
|
201
|
c1ccc(cc1)C2OCc3c(non3)CO2
|
|
|
202
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
203
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
|
204
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
205
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
206
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
207
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
208
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
209
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
|
210
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
211
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
|
212
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
213
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
214
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
215
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
216
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
217
|
CC1=N[C@@H](C(=N[C@@H](C1)c2ccc(cc2)Cl)C#N)C#N
|
|
|
218
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
219
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
220
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
221
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
222
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
223
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
224
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
|
225
|
|
|
|
226
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
227
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
228
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
229
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
230
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
231
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
232
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
233
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
234
|
|
|
|
235
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
236
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
237
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
|
238
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
239
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
240
|
CCC1=Cn2c3ccccc3c4c2c(ccc4)C1
|
|
|
241
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)OC4
|
|
|
242
|
CC1=C(CC2=C(N1)CC(CC2=C)(C)C)C(=O)OC
|
|
|
243
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
244
|
CCCOCCn1c2cc(ncc2nc(c1=O)Cl)Cl
|
|
|
245
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
246
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
|
247
|
Cc1c2c(n(n1)c3ccccc3)sc(n2)C
|
|
|
248
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
249
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
|
250
|
c1ccc2c(c1)ccc3c2c4c([nH]3)C5=C(COC=C5)OC4
|
|
|
251
|
CC1([C@@H](N(C(=O)N1C)c2cccc3c2cccc3)n4cncn4)C
|
|
|
252
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
253
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
254
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
255
|
COc1ccc(cc1)c2c(c(sn2)C(=O)OC)N
|
|
|
256
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
257
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
258
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
259
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
|
260
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
|
261
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
262
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
263
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
264
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
265
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
266
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
267
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
268
|
c1ccn2c(c1)nc3c2cc(s3)C(=O)[O-]
|
|
|
269
|
CC1(c2nnnn2-c3cc(ccc3C(=O)N1)C(=O)OC)C
|
|
|
270
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
|
271
|
CCN(CC)C(=O)/C=C(/CCCC#N)Sc1ccccc1
|
|
|
272
|
c1ccc(c(c1)c2nnc3n2N=C(CS3)c4ccc(cc4)F)O
|
|
|
273
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
274
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
275
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
276
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
|
277
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
278
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
279
|
|
|
|
280
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
281
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
282
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
|
283
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
284
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
|
285
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
286
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
287
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
288
|
CC(C)(C)c1cc(c2c([o+]1)-c3ccccc3OC2)c4ccccc4
|
|
|
289
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
290
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
291
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
292
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
|
293
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
294
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
295
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
296
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
297
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
298
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
299
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
|
300
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
|
301
|
C[C@@]1(C(=O)C2CCCN2-C3CCCCC3O1)C4CCCCC4
|
|
|
302
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
303
|
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
|
|
|
304
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
305
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
|
306
|
CC(C)NC1=C2C(=Nc3c(ncnc3S2)OC)CC(C1)(C)C
|
|
|
307
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
308
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
309
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
310
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
311
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
312
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
313
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
314
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
|
315
|
C[C@@H]1Nc2ccccc2-c3c(nc(nn3)SC)O1
|
|
|
316
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
|
317
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
318
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
319
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
320
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
321
|
c1cc(ncc1C#N)NCc2nccs2
|
|
|
322
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
323
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
|
324
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
325
|
c1ccnc(c1)NC(=O)c2[n-]nnn2
|
|
|
326
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
327
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
|
328
|
|
|
|
329
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
330
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
331
|
c1ccc(cc1)C2=C(C=NC(=C3C=CC(=O)C=C3)N2)c4cnccn4
|
|
|
332
|
Cn1c2c(c(=O)n(c1=O)C)n3ccsc3n2
|
|
|
333
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
334
|
CN1CCc2c1cc(c3c2N(CC3)C)c4ccco4
|
|
|
335
|
CCN(CC)C1=Nc2ccccc2-n3ccnc3C1
|
|
|
336
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
337
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
338
|
|
|
|
339
|
C1CCC(CC1)C2=C3[C@@H](CC4C2CCCC4)CNC3=O
|
|
|
340
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
341
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
342
|
|
|
|
343
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
344
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
345
|
C[C@@H]1[C@@H]2[C@@H](C=C3CCCC[C@H]3[C@@H]2/C=C/c4ccccn4)C(=O)O1
|
|
|
346
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
347
|
CNC(=O)Nc1ccc2c(c1)nnn2C
|
|
|
348
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
349
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
350
|
CC(=O)N1Cc2c(nn(c2n3cccc3)C(C)(C)C)C1
|
|
|
351
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
352
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
|
353
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
354
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
355
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
356
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
357
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
358
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
359
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
360
|
CC(C)n1c2c(cn1)c(nc(n2)c3ccccc3)c4cnn(c4)C
|
|
|
361
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
362
|
c1ccnc(c1)SCCn2cccn2
|
|
|
363
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
364
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
365
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
366
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
367
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
|
368
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
369
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
370
|
CN1C2C(C(=O)N(C1=O)C)N3CCC(=O)N=C3N2
|
|
|
371
|
|
|
|
372
|
CCOc1ccc(cc1C)c2nnc(n2c3ccc(nc3)OC)C
|
|
|
373
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
374
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
375
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
376
|
c1ccc2c(c1)Nc3c(cc(nn3)Cl)S2
|
|
|
377
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
|
378
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
379
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
380
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
381
|
CCCCN1c2cccnc2-c3c(cccn3)N=C1c4ccccc4
|
|
|
382
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
383
|
C(#N)c1c(c2c(c(sc2s1)C#N)N)N
|
|
|
384
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
|
385
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
386
|
Cc1ccc2c(c1)Nc3c(c(=O)c3=O)N2
|
|
|
387
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
388
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
|
389
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
390
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
|
391
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
392
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
393
|
c1ccc(c(c1)Nc2c(c(c(c3n2nnn3)C#N)Cl)Cl)F
|
|
|
394
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
395
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
396
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
397
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
398
|
|
|
|
399
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
400
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
|
401
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
402
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
|
403
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
404
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
|
405
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
406
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
|
407
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
408
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
409
|
COC(=O)/C=c/1c(=O)n2cnc(c2s1)C(=O)N
|
|
|
410
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
411
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
412
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
413
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
|
414
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
415
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
416
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
417
|
CN1CC(=O)N=C1/N=C(/C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
418
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
419
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]4CCCC[C@@H]4O3
|
|
|
420
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
421
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
422
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
423
|
C1CCC(CC1)C2=CC3CCCN3-C4CCCCC4S2(=O)=O
|
|
|
424
|
COC1=c2c(csc2=NC(=O)[C@@H]1C#N)c3ccccc3
|
|
|
425
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
426
|
c1ccc(cc1)N2CC(=NC2=O)N3CCCC3
|
|
|
427
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
428
|
c1ccc(cc1)C2=Nc3ccccc3N[C@H]2C(=O)[O-]
|
|
|
429
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
430
|
c1ccc(cc1)C2=C[C@@H](N3C(=[NH+]2)N=NN3)c4ccco4
|
|
|
431
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
432
|
c1ccc2c(c1)-c3c(cc(s3)C(=O)[O-])CO2
|
|
|
433
|
c1ccc2c(c1)[C@@H]3Cc4cccnc4[C@]2(C3)O
|
|
|
434
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
435
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
436
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
437
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
438
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
439
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
440
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
441
|
CCCC1=C([C@@H](n2c(ncn2)N1)C)C(=O)OCC
|
|
|
442
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
443
|
C1CCC(CC1)C[C@@H]2C(=O)OCC(=N2)C3CCCS3
|
|
|
444
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
445
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
446
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
447
|
c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccccc3O
|
|
|
448
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
449
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
450
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
451
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
452
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
453
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
454
|
c1cc(sc1)c2cc(c(nc2c3nccs3)[O-])C#N
|
|
|
455
|
C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3CC(C(C(=O)O3)CO)OC
|
|
|
456
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
457
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
|
458
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
459
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
460
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
461
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
462
|
CCOC(=O)c1c(n(c2c1-c3c(non3)CC2)OC)C
|
|
|
463
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
|
464
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
465
|
COc1ccc(cc1)C2=Nc3ccccc3SCN2
|
|
|
466
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
|
467
|
c1ccc-2c(c1)[C@]34CCN5[C@H]3C[C@@H](C5=O)c6c4n2c(=O)cc6
|
|
|
468
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
469
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
|
470
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
471
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
472
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
|
473
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
474
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
475
|
c1ccc(cc1)S(=O)(=O)[N-]c2c3ccccc3oc2C#N
|
|
|
476
|
Cc1cc2n(c(=O)c1C#N)CC(=C2)c3ccccc3
|
|
|
477
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
478
|
Cc1ccc(n1C2c3ccccc3Oc4c2cccc4)C
|
|
|
479
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
480
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
481
|
CN1c2ccccc2Oc3ccc(cc3S1(=O)=O)C(=O)[O-]
|
|
|
482
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
483
|
COC1=C[C@@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1O)OCO5
|
|
|
484
|
Cc1c(sc(n1)c2ccccc2)c3nnc(n3C)SC
|
|
|
485
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
486
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
|
487
|
Cc1c2c(cc(/c(=[NH+]/c3ccccc3)/o2)C(=O)N)c(cn1)CO
|
|
|
488
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
489
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
490
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
|
491
|
C1C[C@@H]2N=Cc3c(c(sc3N2C1)C(=O)N)N
|
|
|
492
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
493
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
494
|
c1ccc(cc1)c2nc([o+]c(n2)c3ccccc3)c4ccccc4
|
|
|
495
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
|
496
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
497
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
498
|
c1cc(ccc1OC=CNN/C2=C/3C=CC(=O)C=C3[O-])F
|
|
|
499
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
500
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
501
|
c1ccc2c(c1)nc3c(n2)Sc4nncn4N3
|
|
|
502
|
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
|
|
|
503
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
504
|
Cc1ccc2c(c1)n3c([nH+]2)NCCC3
|
|
|
505
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
506
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
507
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
508
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
509
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
510
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
511
|
Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
|
|
|
512
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
513
|
CC1=c2c(=CC(=C3C=CC(=O)C=C3)N1)c4ccccc4oc2=O
|
|
|
514
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
515
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
516
|
c1ccc2c(c1)cc([nH]2)c3nn4cnnc4s3
|
|
|
517
|
Cc1ccc2c(c1)c(=O)c(co2)c3nnc(s3)N
|
|
|
518
|
|
|
|
519
|
Cncc([nH]/c1=NC(=O)C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
520
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
521
|
COc1ccc(cc1)C2=C(OCCC2)c3ccc(cc3)OC
|
|
|
522
|
|
|
|
523
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
524
|
c1ccc(cc1)c2cc(sc(=[N+]3CCCC3)c2)c4ccccc4
|
|
|
525
|
COC1CC2CCNC-3C2C(C1OC)-C4C3C(OC4)SC
|
|
|
526
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
527
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
528
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
|
529
|
c1ccc2c(c1)nc3n2[C@@H](NC(=[NH+]3)N)c4ccco4
|
|
|
530
|
COC(=O)c1c(snn1)[N-]S(=O)(=O)c2ccccc2
|
|
|
531
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
532
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
533
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
534
|
Cc1[nH]c(=O)c2c(n1)c3c(s2)NC(=O)C[C@@H]3c4ccccc4
|
|
|
535
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
536
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
537
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
538
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
|
539
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
540
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
|
541
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
542
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
543
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
544
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
|
545
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
546
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
547
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
548
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
|
549
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
|
550
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
551
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
552
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
553
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
554
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
|
555
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
|
556
|
c1ccc(cc1)Cc2cc(=O)c(c[nH]2)C(=O)N
|
|
|
557
|
c1cc(sc1)c2c(c(oc2c3cccs3)N)C#N
|
|
|
558
|
Cc1cc2c(o1)-c3c4cc(ccc4oc3CC[C@@H]2C)Cl
|
|
|
559
|
CNc1c2c(c3c(n1)oc(n3)c4ccccc4)n(cn2)C
|
|
|
560
|
CC1=C([C@@H](n2c(ncn2)N1)c3ccoc3)C(=O)N
|
|
|
561
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
562
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
563
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
564
|
c1cc(oc1)c2c(nc(c(n2)C#N)C#N)c3ccco3
|
|
|
565
|
c1ccc(cc1)c2cncnc2
|
|
|
566
|
CC(=O)Nn1c(cn2c3ccsc3cc2c1=O)c4ccccc4
|
|
|
567
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
568
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|