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Virtual screening for IDP 3O1K - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
2
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
3
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
4
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
5
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
6
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
7
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
8
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
9
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
10
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
11
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
12
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
13
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
|
14
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
15
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
|
16
|
Cc1c(c([nH]n1)n2cccc2)C(=O)[O-]
|
|
|
17
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
18
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
19
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
20
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
21
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
22
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
23
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
|
24
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
25
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
26
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
27
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
28
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
29
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
30
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
31
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
32
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
33
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
34
|
Cc1nc(c(o1)C(F)(F)F)c2nc(on2)c3ccccc3
|
|
|
35
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
36
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
37
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
38
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
39
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
40
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
41
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
42
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
43
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
44
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
45
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
|
46
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
47
|
C1[C@@H]2N(C1=O)[C@@H](/C(=C/CO)/O2)C(=O)[O-]
|
|
|
48
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
49
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
50
|
|
|
|
51
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
52
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
|
53
|
Cc1cc(nc(n1)n2c(=O)ccc(n2)[O-])C
|
|
|
54
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
55
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
56
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
57
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
58
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
59
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
|
60
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
61
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
62
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
63
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
64
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
65
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
66
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
67
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
68
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
69
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
70
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
|
71
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
72
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
73
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
74
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
|
75
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
76
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
77
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
78
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
79
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
|
80
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
81
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
82
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
83
|
Cc1c(c2nc(c3c(n2n1)OCC3)C(=O)[O-])c4ccccc4
|
|
|
84
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
85
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
86
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
87
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
88
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
89
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
90
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
91
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
92
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
|
93
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
|
94
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
95
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
96
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
97
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
|
98
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
99
|
Cn1cc(nc1C(=O)[O-])NC(=O)c2cccs2
|
|
|
100
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
101
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
102
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
103
|
CCCCCCC1CN[NH]N1
|
|
|
104
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
|
105
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
106
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
|
107
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
108
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
109
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
110
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
111
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
|
112
|
CCOC(=O)C1=C(C(=O)NCC1)[O-]
|
|
|
113
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
114
|
CC1CCCC(C1)N2C(=O)NC3C(C(=O)N(C(=O)N3C)C)N2
|
|
|
115
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
116
|
Cc1c2c(ncnc2on1)N
|
|
|
117
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
118
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
119
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
120
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
121
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
122
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
123
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
124
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
125
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
126
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
127
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
128
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
129
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
130
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
131
|
c1cc(ccc1c2cc(n(n2)C(=O)c3c(n[n-]n3)Cl)N)Cl
|
|
|
132
|
|
|
|
133
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
134
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
135
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
136
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
137
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
138
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
139
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
140
|
|
|
|
141
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
|
142
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
143
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
144
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
145
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
146
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
|
147
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
148
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
149
|
CN1C2C(C(=O)N(C1=O)C)NC3C4CCCCC4OC3N2
|
|
|
150
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
151
|
COC(=O)c1cc(nc2c1c(=O)n3cc[nH]c3n2)C4CC4
|
|
|
152
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
153
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
154
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
|
155
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
156
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
157
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
158
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
159
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
160
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
161
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
162
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
|
163
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
|
164
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
165
|
c1ccc(cc1)c2nn3c(=O)c4ccccc4nc3o2
|
|
|
166
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
167
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
168
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
169
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
170
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
|
171
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
172
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
|
173
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
174
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
175
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
176
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
|
177
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
178
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
179
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
180
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
181
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
182
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
183
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
184
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
185
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
|
186
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
187
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
188
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
189
|
c1c2c(=O)[nH]c(nc2n[nH]1)[O-]
|
|
|
190
|
C(C(=O)[O-])Sc1nc(=O)c(ns1)[O-]
|
|
|
191
|
c1c2c(cc3c1OCO3)nn[nH]2
|
|
|
192
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
193
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
|
194
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
195
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
196
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
197
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
198
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
199
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
200
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
201
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
202
|
c1ccc(cc1)Nc2nnns2
|
|
|
203
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
204
|
c1ccc2c(c1)-c3c(c(=O)n([nH]3)c4ccccn4)CS2
|
|
|
205
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
206
|
c1ccc(cc1)c2ncc(o2)c3ncco3
|
|
|
207
|
c1ccnc(c1)SCCn2cccn2
|
|
|
208
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
|
209
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
210
|
Cc1cs/c(=NC)/n1NC(=O)Nc2ccc(cc2)Cl
|
|
|
211
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
212
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
|
213
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
214
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
215
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
216
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
217
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
218
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
219
|
CC1(Cc2c(oc3c2c(ncn3)N)CO1)C
|
|
|
220
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
221
|
c1csc(c1C#N)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
222
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
223
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
224
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
225
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
226
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
227
|
C1NC(C2N1[C@@H]3[C@H]([C@@H]([C@@H](O3)CN2)O)O)C(=O)N
|
|
|
228
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
229
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
230
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
231
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
232
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
233
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
|
234
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
|
235
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
|
236
|
CCN1c2ccccc2N[C@@H]3[C@@H]1OC(=C3C(=O)OCC)C
|
|
|
237
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
238
|
CS(=O)(=O)Nc1cccc2c1cn[nH]2
|
|
|
239
|
CC1C2C(NNC1NC(=O)C)C[C@@H](C2)C(=C)C
|
|
|
240
|
c1ccc2c(c1)nnn2c3ccc4nnnn4n3
|
|
|
241
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
242
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
243
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
244
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
245
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
246
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
|
247
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
248
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
249
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
250
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
251
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
252
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
253
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
254
|
|
|
|
255
|
Cn1c(c(c2c1nccc2)[O-])c3[nH]c(=O)c4ccccc4n3
|
|
|
256
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
257
|
Cc1csc(n1)c2c(non2)N
|
|
|
258
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
259
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
|
260
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
261
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
262
|
CC1NNC2N1CC[NH]C2=O
|
|
|
263
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
264
|
c1cc(oc1)c2c(nc(c(n2)C#N)C#N)c3ccco3
|
|
|
265
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
266
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
267
|
|
|
|
268
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
|
269
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
270
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
271
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
272
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
273
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
|
274
|
|
|
|
275
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
276
|
Cc1c(c(c2n1CCS2)C(=O)[O-])C(=O)[O-]
|
|
|
277
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
278
|
CCCc1nncn1NC(=O)OCC
|
|
|
279
|
c1ccn(c1)c2c(non2)N
|
|
|
280
|
c1ccc2c(c1)c(=O)cc(o2)n3ccc(n3)C(F)(F)F
|
|
|
281
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
|
282
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
283
|
c1ccc(cc1)c2c3c(c(nn2)[O-])nc[nH]3
|
|
|
284
|
CC(=O)NC1=C(N=C2N=CC=CN2C1)c3ccccc3
|
|
|
285
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
286
|
Cc1ncc2c(n1)-c3cc(ccc3SC2)F
|
|
|
287
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
288
|
CN(C)c1nnnn1c2ncccn2
|
|
|
289
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
290
|
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
|
|
|
291
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
|
292
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
293
|
CS(=O)(=O)n1c2ccccc2nn1
|
|
|
294
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
295
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
296
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
297
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
298
|
c1cc([nH]c1)c2nnc(nn2)c3ccc[nH]3
|
|
|
299
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
300
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
301
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
302
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
303
|
C1CN2C=Nc3c(c(no3)C(=O)[O-])C2=N1
|
|
|
304
|
Cc1c(=O)n2c(nn1)N(CCC2)C
|
|
|
305
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
306
|
Cc1c2c(c(oc2ncn1)c3ccco3)c4ccco4
|
|
|
307
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
|
308
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
309
|
Cc1c(cn(n1)C)c2nnc(s2)NC
|
|
|
310
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
311
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
312
|
c1ccc(cc1)CNc2cnccn2
|
|
|
313
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
314
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
315
|
Cc1cc2cccc(c2o1)n3cnnn3
|
|
|
316
|
Cc1cc(nc(n1)N2C(=O)CC(=N2)N)C
|
|
|
317
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
318
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
319
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
|
320
|
CCc1nnc(s1)/N=C(/[C@@H](C2CCCC2)NC(=O)C)[O-]
|
|
|
321
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
322
|
Cc1c2c([nH]n1)NC3=C([C@@H]2C)C(=O)OC3
|
|
|
323
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
324
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
325
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
326
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
327
|
c1c[nH]c2c1sc(c2)C(=O)[O-]
|
|
|
328
|
COC(=O)c1cc2c(s1)c(n[nH]2)N
|
|
|
329
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
|
330
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
331
|
Cc1c2c(con2)c(nn1)c3ccccn3
|
|
|
332
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
333
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
|
334
|
CCc1c(nn2c1N/C(=C/3C=C([NH+]=N3)C4CC4)/C=C2O)C
|
|
|
335
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
336
|
c1ccc(cc1)n2cc3c(n2)Nc4ccccc4O3
|
|
|
337
|
|
|
|
338
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
339
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
340
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
341
|
c1ccc(cc1)c2ccc(nn2)n3cnnc3
|
|
|
342
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
343
|
c1cc(nnc1n2ccnc2)[O-]
|
|
|
344
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
|
345
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
346
|
Cc1cc(nc(n1)Sc2ccc(nn2)Cl)C
|
|
|
347
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
348
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
349
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
350
|
Cc1c2c(nc(s2)N(C)CC(=O)[O-])n(n1)c3ccccc3
|
|
|
351
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
352
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
353
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
354
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
355
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
|
356
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
357
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
|
358
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
359
|
C1CCc2c([nH]nc2O)CC1
|
|
|
360
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
|
361
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
362
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
|
363
|
c1ccc2c(c1)c(c[nH]2)c3c(=O)[nH]c4ccccc4n3
|
|
|
364
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
365
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
366
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
367
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
|
368
|
Cc1cc(=O)n2ccc3c(c2n1)oc(n3)C
|
|
|
369
|
CCOC(=O)C1CN(C2C1C(=O)[C@@H](CC(=O)N2)C(=O)OCC)C
|
|
|
370
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
371
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
372
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
373
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
374
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
375
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
376
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
377
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
378
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
379
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
380
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
381
|
|
|
|
382
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
383
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
|
384
|
c1ccc2c(c1)OC(=Cc3ccco3)O2
|
|
|
385
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
386
|
|
|
|
387
|
CC1=CC(=O)Nc2cncnc2N1
|
|
|
388
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
389
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
390
|
CN(C)C(=O)Sc1cnc2ncnn2c1
|
|
|
391
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
392
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
393
|
Cc1ccc(cc1)[C@@H]2Nc3c(c(no3)C)-c4ccccc4O2
|
|
|
394
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
395
|
CSc1c(cc(c(=O)[nH]1)c2cccs2)C#N
|
|
|
396
|
Cc1nnc(s1)SCSc2ccccn2
|
|
|
397
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
398
|
c1cc(sc1)CCNc2ncccn2
|
|
|
399
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
400
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
401
|
|
|
|
402
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
403
|
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)Nc3nccs3
|
|
|
404
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
|
405
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
406
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
|
407
|
CN1c2ccccc2Oc3c1cc(nn3)Cl
|
|
|
408
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
|
409
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
|
410
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
411
|
C1CCc2c(nc(nn2)N)C1
|
|
|
412
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
413
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
414
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
415
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
|
416
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
|
417
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
418
|
COc1c2c(ncn1)Sc3c(ncnc3OC)N2
|
|
|
419
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
420
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
421
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
422
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
|
423
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
424
|
c1c2n(nc1C(=O)[O-])CCOC2
|
|
|
425
|
c1ccc(cc1)c2cncnc2
|
|
|
426
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
427
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
|
428
|
c1cc2c(c(c1)S(=O)(=O)N)non2
|
|
|
429
|
c1cnn(c1)CCSc2nncs2
|
|
|
430
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
431
|
c1ccc2c(c1)nc3c(n2)C(=O)C(=C(C3=O)O)[O-]
|
|
|
432
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
|
433
|
CNC(=O)Nc1c2ccccc2nnn1
|
|
|
434
|
CC1C(OC(N1)NC(=O)N(C)C2CC2)C
|
|
|
435
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
436
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
437
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
438
|
c1cc(oc1)CNn2cnnc2
|
|
|
439
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
440
|
c1c(c2ncnc(n2n1)[O-])C#N
|
|
|
441
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
|
442
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
443
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
444
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
|
445
|
c1ccc(cc1)[C@@]2(c3cnncc3C(=O)N2)O
|
|
|
446
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
447
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
448
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
449
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
450
|
|
|
|
451
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
452
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
453
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
454
|
|
|
|
455
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
|
456
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
457
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
458
|
CC1=CC(=NC2=NNC(=O)[C@@H]12)C(=O)[O-]
|
|
|
459
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
|
460
|
c1coc2c1[nH]c(c2)C(=O)[O-]
|
|
|
461
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
462
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
|
463
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
464
|
Cc1ccc(cc1)S(=O)(=O)n2c(cnn2)C
|
|
|
465
|
C1(=O)[NH]C(=O)N2N1[C@@H](NC2=O)O
|
|
|
466
|
c1cc(oc1)c2cc[nH]c(=O)c2C#N
|
|
|
467
|
Cc1nc2c(ncnc2o1)N
|
|
|
468
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
469
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
470
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
471
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
472
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
473
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
474
|
C1NC2C(C(N1)N)NCNC2N
|
|
|
475
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
476
|
Cc1c(nnn1c2nccs2)C(=O)[O-]
|
|
|
477
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
478
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
|
479
|
C[C@@]1(CC1(Cl)Cl)C#CC(=O)[O-]
|
|
|
480
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
|
481
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
482
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
483
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
484
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
485
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
|
486
|
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
|
|
|
487
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
488
|
CCSc1nnc2n1CCN2c3ccccc3
|
|
|
489
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
|
490
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
491
|
c1ccc2c(c1)nc(s2)n3cnc(n3)C#N
|
|
|
492
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
493
|
c1cccc(c1)CC/C2=CC(=O)[O-]
|
|
|
494
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
495
|
c1ccc2c(c1)c(=O)n3c4ccccc4oc3n2
|
|
|
496
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
497
|
c1cnnc(n1)c2nccnn2
|
|
|
498
|
c1ccc2c(c1)Nc3c(cc(nn3)Cl)S2
|
|
|
499
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
|
500
|
CC1C(C(ON1)C)CC2NNC(O2)N
|
|
|
501
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
|
502
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
|
503
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
504
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
505
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
506
|
c1ccc(cc1)n2nc3c(n2)-c4c(non4)CC3
|
|
|
507
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
|
508
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
509
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
510
|
Cn1c2c(cn1)c(cc(n2)c3ccco3)C(F)F
|
|
|
511
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
512
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
513
|
CNC1C2C(C3CCCCC3S2)NNN1
|
|
|
514
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
|
515
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
516
|
c1ccc2c(c1)nc3c(n2)nc[n-]3
|
|
|
517
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
518
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
519
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
|
520
|
COc1cc(=O)nc(o1)c2ccco2
|
|
|
521
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
522
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
|
523
|
c1c([nH+]c2n1CCCC2)C(=O)[O-]
|
|
|
524
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
525
|
Cc1c(cco1)c2nnc(o2)N
|
|
|
526
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
|
527
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
528
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
529
|
Cc1cc(n(n1)CCc2nnco2)C
|
|
|
530
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
531
|
CC1NC2C(NCNC2NN1)N
|
|
|
532
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
533
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
534
|
Cc1c(c2nnc3c(n2n1)csc3NC(=O)C)c4ccccc4
|
|
|
535
|
Cc1c2c([nH]n1)CCOC(=O)N2
|
|
|
536
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
537
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
538
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
539
|
COC(=O)N1CCc2c(onc2[O-])C1
|
|
|
540
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
|
541
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
542
|
Cn1c2c(c(=O)[nH]c1=O)non2
|
|
|
543
|
c1cnnc2c1c(c(s2)C(=O)N)N
|
|
|
544
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
545
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
546
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
547
|
Cc1ccc(nc1)n2cnnn2
|
|
|
548
|
Cn1c(ccn1)c2cc(on2)C(=O)[O-]
|
|
|
549
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
|
550
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
551
|
c1cnccc1c2n[nH]c(=O)s2
|
|
|
552
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
553
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
|
554
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
|
555
|
C1C2C(NC(=O)[NH]1)OCCN2
|
|
|
556
|
c1cc(sc1)Cc2[n-]nnn2
|
|
|
557
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
|
558
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
559
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
560
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
|
561
|
Cc1c-2c(on1)CCc3c2n(nc3C(=O)[O-])C
|
|
|
562
|
CC1C(NC2C(N1)C(NNC2C3CCCCC3)C4CCCCC4)C
|
|
|
563
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
564
|
COC(=O)c1c(non1)n2cccc2
|
|
|
565
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
566
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
|
567
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
|
568
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
569
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
570
|
c1ccc(cc1)C(=O)Nc2nc3ccsc3s2
|
|
|
|