Menu
Virtual screening for IDP 3R3S - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
2
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
3
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
4
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
5
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
6
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
7
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
8
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
9
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(OC(=C3C(=O)[O-])CO)O)O
|
|
|
10
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
11
|
|
|
|
12
|
COC(=O)c1ccc(cc1)NC(=O)/C=c/2[nH]s[nH]c(=C)n2N
|
|
|
13
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
14
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
15
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
16
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
17
|
|
|
|
18
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
19
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
20
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
21
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
22
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
23
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
24
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
25
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
26
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
27
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
28
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
29
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
30
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
31
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
32
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
33
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
34
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
35
|
COc1c(cc2c-3c1COc4c3c(cc(c4)O)CC2)O
|
|
|
36
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
37
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
38
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
39
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
40
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
41
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
42
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
43
|
Cc1c-2c(on1)CCc3c2n(nc3C(=O)[O-])C
|
|
|
44
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
45
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
46
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
47
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
48
|
c1ccc2c(c1)-c3c(cn[nH]3)CC(=O)N2
|
|
|
49
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
50
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
51
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
52
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
53
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
54
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
55
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
56
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
57
|
CC1C2C(C(C3N2N(N1)CC3)C(=O)OC)C(=O)OC
|
|
|
58
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
59
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
60
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
61
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
62
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
63
|
Cc1ccc2c(c1)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[S@@](=O)N2
|
|
|
64
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
65
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
66
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
|
67
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
68
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
69
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
70
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
71
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
72
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
73
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
74
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
75
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
76
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
77
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
|
78
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
79
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
|
80
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
81
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
82
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
83
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
84
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
85
|
c1cnnc2c1c(c(s2)C(=O)N)N
|
|
|
86
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
87
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
88
|
COC1CC2CCNC-3C2C(C1OC)-C4C3C(OC4)SC
|
|
|
89
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
|
90
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
91
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
92
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
93
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
94
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
95
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2[nH]nc3
|
|
|
96
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
97
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
98
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
|
99
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
100
|
|
|
|
101
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
102
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
103
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
104
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
105
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
106
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
107
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
108
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
|
109
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
110
|
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
|
|
|
111
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
112
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
113
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
114
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
115
|
CC(=O)[C@@H]1C2=c3c(cccc3=[NH+]C1=O)C(=O)c4c2cccc4
|
|
|
116
|
|
|
|
117
|
C1CN2C3C(C(=O)[NH]C2N1)SCCN3
|
|
|
118
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
119
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
120
|
c1ccc-2c(c1)-c3cccc4c3c2cnc4
|
|
|
121
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
122
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
123
|
Cc1c(n(c(c1C#N)NC(=O)c2cccs2)CC3CC3)C
|
|
|
124
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
125
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
126
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
|
127
|
c1ccc2c(c1)c(c-3n[nH+]c4c(nc23)non4)O
|
|
|
128
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
129
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
130
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
131
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
132
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
133
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
134
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
135
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
136
|
CC1(Cc2c(oc3c2c(ncn3)N)CO1)C
|
|
|
137
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
|
138
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
139
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
140
|
CC1(C=Cc2c(c3ccccc3[nH]c2=O)O1)C
|
|
|
141
|
[H]/N=c/n(c(c(s1)C#N)N)c2ccccc2
|
|
|
142
|
c1ccc2c(c1)-c3c4c(cc5c3OCO5)CCN[C@@H]4[C@H]2O
|
|
|
143
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2c(cc(n2)C)C
|
|
|
144
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
|
145
|
c1ccc2c(c1)C(=O)c3c(cc4c(c3C2=O)NCCN4)O
|
|
|
146
|
c1cc2c(cc1N)c3c(c(=O)o2)NCCC3
|
|
|
147
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
148
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
149
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
150
|
c1ccc2c(c1)ccc3c2c4c(o3)cno4
|
|
|
151
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
152
|
|
|
|
153
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
154
|
CCOC(=O)c1c-2c(c(=O)oc1N)C(=O)c3c2cccc3
|
|
|
155
|
|
|
|
156
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
157
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
158
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
159
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
160
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
161
|
COC1CC2C(CC1OC)-C3CCCC4C3N(CC4)CC2
|
|
|
162
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
|
163
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
164
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
165
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
|
166
|
c1cc2c3c(c1)[nH]cc3[C@@H](OC2=O)NC(=O)N
|
|
|
167
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
168
|
C1CC(=C(N[C@@H]1C(F)(F)F)[O-])C(=O)[O-]
|
|
|
169
|
|
|
|
170
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
171
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
172
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
173
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
174
|
Cc1cc(=O)oc-2c1C(=O)c3c2cccc3
|
|
|
175
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
|
176
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
177
|
|
|
|
178
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
179
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
180
|
c1cc2c(=O)[nH]c3c(n2c1)ccs3
|
|
|
181
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
182
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
183
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
184
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
185
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
186
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
187
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
188
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
189
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
190
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
191
|
C1C(C(=O)[NH]C(=O)O1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
192
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
193
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
194
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
195
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
|
196
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
197
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
198
|
c1cc(oc(=O)c1)c2cccnc2
|
|
|
199
|
CCOc1c(o/c(=NC(=O)c2ccccc2)/s1)C(=O)OCC
|
|
|
200
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
201
|
CC1(OC[C@@H]([C@H](O1)CCO)/C=C/C=CCCCC(=O)OC)C
|
|
|
202
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
203
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
204
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
205
|
CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
|
|
|
206
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
207
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
208
|
CC=NC2CCCCC2/C1=C/3C4CCCCC4C(=O)NN3
|
|
|
209
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
210
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
211
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
|
212
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
213
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
214
|
Cn1c(=O)c2ccccc2c(n1)c3ccc(cc3)O
|
|
|
215
|
Cc1cc(=O)n2c([nH]1)c(c(n2)NC)c3nc(no3)c4ccccc4
|
|
|
216
|
c1cc2cc(n3c2c(c1)SCC3)C(=O)[O-]
|
|
|
217
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
218
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
219
|
c1cc2c3c(c1)NC(=O)C4=C(N3CCC2)CCC4
|
|
|
220
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
221
|
c1ccc-2c(c1)CSc3c2[nH]nc3O
|
|
|
222
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
223
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
224
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
|
225
|
c1ccc2c(c1)nc3n2[C@@H](NC(=[NH+]3)N)c4ccco4
|
|
|
226
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
227
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
228
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
229
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
230
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
231
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
232
|
C1CNC(=O)[C@@H]2[C@H]1CNC2=O
|
|
|
233
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
234
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
235
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
236
|
CCN1c2ccccc2N[C@@H]3[C@@H]1OC(=C3C(=O)OCC)C
|
|
|
237
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
238
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
239
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
240
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
241
|
C1CNNCC1CCC(=O)[O-]
|
|
|
242
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
|
243
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
|
244
|
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
|
|
|
245
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
246
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
247
|
c1ccc2c(c1)c(=O)n3c(n2)ccc(=O)[nH]3
|
|
|
248
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
249
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
250
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
251
|
CO[C@@H]1c2cccc3c2c(ccc3)[C@@H]1NS(=O)(=O)C
|
|
|
252
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
|
253
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
254
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
|
255
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
256
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
257
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
258
|
Cn1cc(c(c1[C@@H]2CCCO2)C(=O)[O-])c3ccccc3
|
|
|
259
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
260
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
261
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
262
|
Cc1cc2c(c(n1)C)c(=O)[nH]n2C(=O)C
|
|
|
263
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
264
|
COC1CC2C(CC1O)-C3C(CNO3)CCC2
|
|
|
265
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
|
266
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
267
|
Cc1c(c(=O)on1C(=O)N(C)c2ccccn2)C(C)C
|
|
|
268
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
269
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
270
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
271
|
c1ccc2c(c1)CCCN2c3c(cno3)C#N
|
|
|
272
|
COc1cc2c(c3c(oc2=O)C(=O)CC3)c(c1OC)OC
|
|
|
273
|
CC(C)(C)C1C2C(=C(C(=O)O2)C(C)(C)C)N3C1NNN3
|
|
|
274
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
275
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
276
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
277
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
|
278
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
279
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
280
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
|
281
|
|
|
|
282
|
|
|
|
283
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
284
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
285
|
|
|
|
286
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
287
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
|
288
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
|
289
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
290
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2n4cnc(n4)C#N
|
|
|
291
|
c1cc(oc1)c2cc[nH]c(=O)c2C#N
|
|
|
292
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
293
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
294
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
|
295
|
COCCN1C2C(C(NC(N2)N)N)N=C3C1=CCCC3
|
|
|
296
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
297
|
c1ccc2c(c1)-c3c(cc(s3)C(=O)[O-])CS2
|
|
|
298
|
c1ccc2c(c1)-c3c(nc(=O)[nH]c(=O)n3)C2=O
|
|
|
299
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
300
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
301
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
|
302
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
303
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
304
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
305
|
CCCC(=O)Nc1c(c(nn1C)C)C2=CCCCC2
|
|
|
306
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
307
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
308
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
309
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
310
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
311
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
312
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
313
|
CNc1nc(ns1)C23CC4CC(C2)CC(C4)C3
|
|
|
314
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
|
315
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
|
316
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
|
317
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
318
|
Cc1ccccc1C=C2C(=O)NC(=O)NC2=O
|
|
|
319
|
CC1=CC(=O)O[C@@H]1Cc2ccncc2
|
|
|
320
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
321
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
322
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
323
|
c1ccc2c(c1)C(=O)C(C2=O)(c3c([nH]c(=O)[nH]c3=O)[O-])O
|
|
|
324
|
COc1cccc(n1)[C@H]2CCC(=O)NC2
|
|
|
325
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
326
|
c1ccc(c(c1)n2c3c(cn2)C4=NCCCN4C(=O)N3)Cl
|
|
|
327
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
328
|
C1CCC(CC1)N2CC(=C(C2=O)[O-])C(=O)N
|
|
|
329
|
c1ccc(cc1)c2c(c-3c(oc2=O)CCc4c3cccc4)[O-]
|
|
|
330
|
CCc1c(ccc(c1c2cccs2)S(=O)(=O)[O-])C
|
|
|
331
|
Cc1c(c2ccccc2/c(=[NH+]/C(=O)C)/o1)C#N
|
|
|
332
|
CC1NC(NO1)C2CN3C(C2C(C)C)C(=O)NC[NH]3
|
|
|
333
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
334
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
335
|
|
|
|
336
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
337
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
338
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
339
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
340
|
CC1CCC2C3C1C(=O)[C@@H](C3=CCN2C(=O)C)C(=O)N
|
|
|
341
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
342
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
343
|
Cn1cc(nn1)NC(=O)c2ccc(cc2)Cn3cccc3
|
|
|
344
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
345
|
CCCC1=C([C@@H](n2c(ncn2)N1)C)C(=O)OCC
|
|
|
346
|
|
|
|
347
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
|
348
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
349
|
C1CCC2C(C1)C3C([NH]2)C(=O)CCS3
|
|
|
350
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
351
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
352
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
353
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
354
|
CC(C)S(=O)(=O)c1c(c(=O)[nH]s1)c2ccccc2
|
|
|
355
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
356
|
C1CCC(CC1)C2=C3CC[C@@H]4[C@@H]3N(CCCC4)C(=O)O2
|
|
|
357
|
COC(=O)c1cc2c(s1)c(n[nH]2)N
|
|
|
358
|
c1ccc2c(c1)C(=O)c3cccc4c3C2=NNS4(=O)=O
|
|
|
359
|
|
|
|
360
|
C1CCC2C(C1)-C3C(CN[NH]3)CCS2
|
|
|
361
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
362
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
|
363
|
|
|
|
364
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
365
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
|
366
|
CC1=CC(=O)N([C@@]1(CC#N)O)C2CC(CCC2OC)OC
|
|
|
367
|
Cc1c(c-2c(cn1)COc3c2cccc3)C#N
|
|
|
368
|
CCOC(=O)Nc1nc2ccn(c2s1)C
|
|
|
369
|
Cc1cc(=O)n2c(csc2c1C#N)C
|
|
|
370
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
371
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
372
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
373
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
374
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
375
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
376
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
|
377
|
C1CCC2C(C1)C[C@@H]3[C@@H]2C4CCCCC4N3
|
|
|
378
|
C1C2N(C(=O)[NH]C1=O)CCC3=C2CCCC3
|
|
|
379
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
380
|
c1cc(oc1)c2c3c(c(c(c2C#N)N)C#N)CCCC3
|
|
|
381
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
382
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
383
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
384
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
385
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
386
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
|
387
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
|
388
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
389
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
390
|
c1cc(oc1)c2c(c(oc2c3ccco3)N)C#N
|
|
|
391
|
Cc1nnnn1[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3
|
|
|
392
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
393
|
C[C@@H]1CCCC2=C1[C@@H](C3C(CCCC3N)[C@@H]2O)O
|
|
|
394
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
395
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
396
|
Cc1c(c2nc(c3c(n2n1)OCC3)C(=O)[O-])c4ccccc4
|
|
|
397
|
c1cc(c(cc1c2ccc(c(c2)O)N)O)N
|
|
|
398
|
c1ccc(cc1)C2=CCNn3cnnc3S2
|
|
|
399
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
400
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
|
401
|
CC1([C@@H]2CC[C@H]1[C@@H]3[C@@H]2CS(=O)(=O)N3)C
|
|
|
402
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
403
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
404
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
405
|
c1c2c(c(=O)[nH]n1)Sc3cn[nH]c(=O)c3S2
|
|
|
406
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
407
|
c1ccc(cc1)c2c3ccccc3nnn2
|
|
|
408
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
|
409
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
410
|
|
|
|
411
|
c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
|
|
|
412
|
|
|
|
413
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
414
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
415
|
c1ccc(cc1)c2c(c(sc2SCC#N)C#N)N
|
|
|
416
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
417
|
CN1CCC2C1CCC3C2OS(=O)(=O)C=C3N4CCOCC4
|
|
|
418
|
c1ccc(cc1)N2CCC(=O)NCC2
|
|
|
419
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
420
|
C/C/1=C/C(=O)Nc2cccc3c2c(ccc3)N1
|
|
|
421
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
422
|
CC1=NCCNc2c1c(=O)n(c3c2cccc3)C
|
|
|
423
|
COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
|
|
|
424
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
425
|
c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O
|
|
|
426
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2nc(s3)C
|
|
|
427
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
428
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
429
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
430
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
431
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
432
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
433
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
|
434
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
435
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
436
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
437
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
|
438
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
439
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
|
440
|
c1ccc(cc1)[C@@H]2[C@@H]3C(=NC(=O)N2)NC(=O)N3
|
|
|
441
|
Cc1c2c(on1)COc3ccccc3C(=O)C2
|
|
|
442
|
C1CC(OC1)N2C(=O)C(C[NH]C2=O)F
|
|
|
443
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
444
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
445
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
|
446
|
c1ccc2c(c1)c(=O)cc3n2CC(=O)O3
|
|
|
447
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
448
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
449
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
450
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
451
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
452
|
CCOC(=O)[C@@]1(CC(=C)CO1)NC(=O)OC
|
|
|
453
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
|
454
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
455
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
456
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
457
|
c1csc(c1C#N)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
458
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
459
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
|
460
|
COC(=O)c1c(cc(=O)n2c1CCCCC2)[O-]
|
|
|
461
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
462
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
463
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
464
|
CC(=O)n1c2ccccc2c3c1oc(c3C(=O)OC)C(=O)OC
|
|
|
465
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
466
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
467
|
c1ccc-2c(c1)CCCn3c2nnn3
|
|
|
468
|
c1ccc2=NC3=[NH+]CCN3C(=c2c1)[O-]
|
|
|
469
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
470
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
471
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
472
|
c1coc(c(c1=O)O)[C@@]2([C@@H]3C[C@@H]([C@@H](O3)CC2=O)C#N)O
|
|
|
473
|
|
|
|
474
|
Cc1cc-2c(s1)CCCCc3n2nnn3
|
|
|
475
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
476
|
CCOC(=O)C1=C(OC(=O)NC1(C(F)(F)F)C(F)(F)F)C
|
|
|
477
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
478
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
|
479
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
480
|
c1cc2cccc3c2c(c1)C4=NS(=O)(=O)N=C34
|
|
|
481
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
482
|
|
|
|
483
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
484
|
c1ccc2c(c1)-n3cnnc3CCS2
|
|
|
485
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
486
|
Cc1ccc(n1C2c3ccccc3Oc4c2cccc4)C
|
|
|
487
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
|
488
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
|
489
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
490
|
Cn1c(cc(n1)c2ccccc(=O)c2[O-])C(=O)[O-]
|
|
|
491
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
492
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
493
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
|
494
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
495
|
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
|
|
|
496
|
[H]/N=C/N/C(=C/CCNC(=O)c3c2cc[nH]3)/C(=N1)[O-]
|
|
|
497
|
c1ccc(c(c1)c2nnc3n2N=C(CS3)c4ccc(cc4)F)O
|
|
|
498
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
499
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
500
|
Cc1nnc(s1)SC2=C(Nc3ccccc3NC2=O)C
|
|
|
501
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
502
|
CC1=CC(=O)Nc2ccccc2S1
|
|
|
503
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
504
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
505
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2ccno2
|
|
|
506
|
C1COCCC1(CC#N)C#N
|
|
|
507
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
508
|
c1ccc2c(c1)c(=O)c(=Nc3[n-]nnn3)c2=O
|
|
|
509
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
|
510
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
511
|
c1cc2cccc3c2c(c1)C4=NCCN=C34
|
|
|
512
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
513
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
514
|
COc1nc(nc(n1)Sc2ccc(cc2)N)OC
|
|
|
515
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
516
|
C1CC2C(CC1CL)C3C(C(=O)O2)OCCN3
|
|
|
517
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
518
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
519
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
520
|
Cc1c(c(on1)C)Cn2ccccc2=O
|
|
|
521
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
522
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
523
|
Cc1c(c(=O)[nH]c(n1)[O-])C#N
|
|
|
524
|
c1ccc(cc1)c2cncnc2
|
|
|
525
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
526
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
|
527
|
Cn1c(ccn1)c2cc(on2)C(=O)[O-]
|
|
|
528
|
COC(=O)c1c(snn1)[N-]S(=O)(=O)c2ccccc2
|
|
|
529
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
530
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
531
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
532
|
CN1C2C(C(=O)N(C1=O)C)N3CCC(=O)N=C3N2
|
|
|
533
|
c1ccc2c(c1)Cc3ccccc3NC2
|
|
|
534
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
535
|
Cc1cc(=O)n2c(n1)sc(n2)n3cnc(n3)C#N
|
|
|
536
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
537
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
538
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
539
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
540
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
541
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
542
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
543
|
c1ccc2c(c1)Cc3c[nH]cc3C2
|
|
|
544
|
|
|
|
545
|
CC(=O)n1cc(cc1c2ccccc2)OC(=O)C
|
|
|
546
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
547
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
|
548
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
549
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
550
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
551
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
552
|
|
|
|
553
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
554
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
555
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
|
556
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
557
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
558
|
C[C@@H]1CN2C(C(C(=O)[NH]C2=O)C3CCCCC3)O1
|
|
|
559
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
560
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
561
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
562
|
CC1(Cc2ccccc2-c3n1nnn3)C
|
|
|
563
|
c1cnnc2c1-c3c(non3)CC2
|
|
|
564
|
C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
|
|
|
565
|
CC1=CNC(=O)CC(C1)(C)C
|
|
|
566
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
567
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
568
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
|
569
|
c1c2c([nH]c(=O)c1C#N)CCOC2
|
|
|
570
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|