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Virtual screening for IDP 3L2I - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CC1CC(N(N1)C(=O)C2CNN3C2N(CCC3=O)C(C)C)C
|
|
|
2
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
3
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
4
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
5
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
6
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
7
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
8
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
9
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
10
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
11
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
12
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
13
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
14
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
15
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
16
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
|
17
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
18
|
C12C(NC(S1)C(=O)[O-])SC(N2)C(=O)[O-]
|
|
|
19
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
20
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
21
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
22
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
|
23
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
24
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
25
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
26
|
CCc1nnc(o1)CN(C(C)C)C(=O)c2c(ocn2)C3CC3
|
|
|
27
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
28
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
29
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
30
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
31
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
|
32
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
33
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
34
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
35
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
36
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
37
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
38
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
39
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
40
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
41
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
42
|
Cc1c(c2c3nnc(n3cnc2o1)C)C(=O)[O-]
|
|
|
43
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
44
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
|
45
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
46
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
47
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
48
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
49
|
CCNc1nc(nc(n1)Cl)Sc2nnc(s2)SC
|
|
|
50
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
51
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
52
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
53
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
54
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
55
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
56
|
CC(C)N1C(NNN1)SC2CNN(C(=O)C2CL)C
|
|
|
57
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
58
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
59
|
CC(C)(C)OC(=O)N1CCn2c(nnc2C(=O)[O-])C1
|
|
|
60
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
61
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
|
62
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
63
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
64
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
65
|
C1CN2C=Nc3c(c(no3)C(=O)[O-])C2=N1
|
|
|
66
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
|
67
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
68
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
69
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
70
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
71
|
|
|
|
72
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
73
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
74
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
|
75
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
76
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
77
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
78
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
79
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
80
|
Cc1c(=O)n2c(nn1)SC[C@@H]2CSc3ccccc3
|
|
|
81
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
82
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
83
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
84
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
|
85
|
CN1CC2CCCCC2C1C3NC(NC(N3)F)N
|
|
|
86
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
|
87
|
CC(=O)c1c(n[n-]n1)NC(=O)c2ccccc2
|
|
|
88
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
89
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
90
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
91
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
92
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
93
|
c1cc(sc1)c2cc(nc3c2c(c(o3)C(=O)[O-])N)C(F)(F)F
|
|
|
94
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
95
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
|
96
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
97
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
98
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
99
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
100
|
Cn1cc(cn1)NC(=O)c2cncn2c3ccccc3
|
|
|
101
|
C[C@@]1(CCC=C1CC(=O)[O-])c2ccccc2
|
|
|
102
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
103
|
CC(C)c1nnc(o1)c2cc3c(nn(c3s2)C)C(F)(F)F
|
|
|
104
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
105
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
|
106
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
107
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
108
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
|
109
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
110
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
111
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
112
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
113
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
114
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
115
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
116
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
117
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
118
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
119
|
CC1([C@@](c2ccccc2O1)(c3ccc4ccccc4n3)O)C
|
|
|
120
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
121
|
Cc1nc2ccccc2c(=O)n1c3nc[nH]n3
|
|
|
122
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
123
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
124
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
125
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
126
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
127
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
128
|
COC(=O)c1c2c(nnc(n2nc1C(=O)OC)[O-])c3ccccc3
|
|
|
129
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
130
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
131
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
132
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
133
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
|
134
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
135
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
136
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
137
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
138
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
|
139
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
|
140
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
141
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
142
|
Cc1cc(=O)n2c(c1c3ccccc3)SC[C@@H]2C(=O)[O-]
|
|
|
143
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
144
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
145
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
146
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
147
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
148
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
149
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
150
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
151
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
152
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
153
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
154
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
155
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
|
156
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
157
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
158
|
c1c2c(nc3c1c(=O)n(cn3)CC(=O)[O-])CCC2
|
|
|
159
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
160
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
161
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
162
|
Cc1c(c(on1)C)Cc2ccc(s2)C(=O)[O-]
|
|
|
163
|
|
|
|
164
|
CCCSc1[n-]s/c(=N/C(=O)CN2CCCC2)/n1
|
|
|
165
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
166
|
CCC1=C([C@@H](C(=O)N=C1C)N)OC2C[C@@H](C[C@@H](C2)C)C
|
|
|
167
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
|
168
|
Cc1nnn(n1)Cc2nnnn2C
|
|
|
169
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
170
|
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
|
|
|
171
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
172
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
173
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
174
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
175
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
176
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
177
|
Cn1c(nnn1)Sc2ccncc2S(=O)(=O)N
|
|
|
178
|
CC1([C@@H]2CC[C@]1(c3c2nc(c(n3)C#N)C#N)C(=O)[O-])C
|
|
|
179
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
180
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
181
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
182
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
183
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
184
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
185
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
186
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
187
|
CC(C)(C)OC(=O)N1[C@@H](CO[C@H]2[C@@H]1C2(F)F)C(=O)[O-]
|
|
|
188
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
189
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
190
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
|
191
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
192
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
193
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
194
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
195
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
196
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
197
|
|
|
|
198
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
199
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
200
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
201
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
202
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
203
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
204
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
205
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
206
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
|
207
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
208
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
209
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
210
|
|
|
|
211
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
212
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
213
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
214
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
215
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
|
216
|
Cc1cc(c(c(=O)n1c2nnns2)C(=O)C)[O-]
|
|
|
217
|
CCOC=C(c1nnco1)c2nnco2
|
|
|
218
|
CCOc1ccc2c(nc(nc2c1)/N=C/NCCC(=N3)[O-])C
|
|
|
219
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
220
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
221
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
222
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
223
|
C1CNNCC1CCC(=O)[O-]
|
|
|
224
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
225
|
Cc1ccc(n1c2c(ccs2)c3cc([nH]n3)N)C
|
|
|
226
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
227
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
228
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
229
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
230
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
231
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
|
232
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
233
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
234
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
235
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
236
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
237
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
|
238
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
239
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
|
240
|
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
|
|
|
241
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
242
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
243
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
|
244
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
245
|
CN1C(=O)C(C(CN1)SC2NC3CCCCC3S2)CL
|
|
|
246
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
247
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
248
|
c1ccc2c(c1)C(=O)N[C@@]2(c3[nH]ccn3)O
|
|
|
249
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
|
250
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
251
|
CCOC(=O)/N=c/c(nc(cn1C)C2OCCO2)C#N
|
|
|
252
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
253
|
|
|
|
254
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
255
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
256
|
c1ccc(cc1)[C@@H]2c3cc4c(cnc5n4ncn5)c(=O)n3C(=O)N2
|
|
|
257
|
CC1C(N2C(NCN2)NN1)N(C)C3CCCCC3
|
|
|
258
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
259
|
c1cc(ccc1N)S(=O)(=O)Nc2nc3c(c(n2)[O-])CCCC3
|
|
|
260
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
261
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
262
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
263
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
264
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
265
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
266
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
|
267
|
COC(=O)C1=C(Oc2c(=O)cc(oc2[C@@H]1c3ccccc3)CO)N
|
|
|
268
|
CC[C@@]1(CN(CC=C1)C(=O)OC2CCCCC2)CC(=O)N(C)C
|
|
|
269
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
270
|
CC1NC2C(NCNC2NN1)N
|
|
|
271
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
|
272
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
273
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
274
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
275
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
|
276
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
277
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
278
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
279
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
|
280
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
281
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
|
282
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
283
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
|
284
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
285
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
286
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
287
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
288
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
289
|
Cc1c(non1)NCn2cnnn2
|
|
|
290
|
c12c(non1)N=C3C(=Nc4c(non4)N3)N2
|
|
|
291
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
|
292
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
293
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
|
294
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
|
295
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
296
|
C1Cc2c3c(nnc4c3c(nn2)CCC4)C1
|
|
|
297
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
298
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
|
299
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
300
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
301
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
302
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
|
303
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
304
|
CN1CCN=C(C=C1c2ccccc2O)C(=O)[O-]
|
|
|
305
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
306
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
307
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
308
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
309
|
c1ccc2c(c1)C(=O)c3cccc4c3C2=NNS4(=O)=O
|
|
|
310
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
311
|
CCOC(=O)c1c(cccc1OC)/C=C/c2c(ncs2)Cl
|
|
|
312
|
c1cc(sc1)CCc2c(cco2)C(=O)[O-]
|
|
|
313
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
314
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
315
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
316
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
317
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
318
|
Cc1cc2nc(nc(=O)n2o1)Oc3ccccc3
|
|
|
319
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
320
|
C1C2C(NC(N1)[O-])SNN2
|
|
|
321
|
Cn1c(cc(=O)n(c1=O)C)c2nnc(o2)N
|
|
|
322
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
|
323
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
324
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
|
325
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
326
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
327
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
328
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
329
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
330
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
331
|
|
|
|
332
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
333
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
334
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
335
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
336
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
337
|
c1nc2c(n3c(c2c(=O)n1CCC#N)CCC3)C#N
|
|
|
338
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
339
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
340
|
c1cnc(nc1c2nccs2)N
|
|
|
341
|
|
|
|
342
|
C[C@@]12CC(=O)NC1=Nc3ccccc3S2
|
|
|
343
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
|
344
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
345
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
346
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
347
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
348
|
CCCC(=O)/[NH+]=c/cc(c-2c(oc3ccccc3c2n1)O)C
|
|
|
349
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
|
350
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
351
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
352
|
CCOC(=O)CCC1NC(C(C2N1NNN2)C)C(=O)OCC
|
|
|
353
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
|
354
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
355
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
|
356
|
CCOc1nnc(s1)Cn2c(=O)c(c(c(n2)C)C)C#N
|
|
|
357
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
358
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
359
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
|
360
|
|
|
|
361
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
362
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
363
|
Cc1c(c(noc1=O)C)c2ccc(c(c2)C(=O)[O-])Cl
|
|
|
364
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
365
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
366
|
CCOC(=O)Cn1nnnn1
|
|
|
367
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
368
|
COC1NC2CCCCC2NN1
|
|
|
369
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
370
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
371
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
372
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
373
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
374
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
375
|
COC(=O)CC1(C(=O)NC(=O)N=C1[O-])CC(=O)OC
|
|
|
376
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
377
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
378
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
379
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
380
|
Cc1cc(=O)c(c(o1)Nc2nnns2)C(=O)C
|
|
|
381
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
382
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
383
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
384
|
C1CCC2C(C1)-C3CNCNC3N=C(N2)N4CCCCC4
|
|
|
385
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
|
386
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
|
387
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
388
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
389
|
CC1=CC(=O)Nc2cncnc2N1
|
|
|
390
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
391
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
392
|
CN(C)c1c2c(ncn1)Sc3c(c(ncn3)OC)C=N2
|
|
|
393
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
394
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
395
|
c1cc(oc1)[C@@H](c2c(n3c(s2)ncn3)[O-])N4CCOCC4
|
|
|
396
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
397
|
Cc1csc(n1)[C@@H](C#N)C2=NS(=O)(=O)c3c2cccc3
|
|
|
398
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
399
|
c1ccc2c(c1)Nc3cc(=O)[nH]nc3N2
|
|
|
400
|
COC(=O)Nc1cc(c[nH]1)C(=O)c2ccc(cc2Cl)Cl
|
|
|
401
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
|
402
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
|
403
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
404
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
405
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
|
406
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
407
|
CC1=Nc2c(cccn2)NC(=O)C1
|
|
|
408
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
|
409
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
410
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
411
|
|
|
|
412
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
413
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
414
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
|
415
|
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
|
|
|
416
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
417
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
418
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
419
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
420
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
421
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
422
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
423
|
|
|
|
424
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
425
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
426
|
CC1NC(NO1)C2CN3C(C2C(C)C)C(=O)NC[NH]3
|
|
|
427
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
428
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
429
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
430
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
|
431
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
432
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
|
433
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
434
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
435
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
436
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
437
|
|
|
|
438
|
CCc1c([nH]c(=O)c(c1Cc2cc(cc(c2)C)C)n3cccc3)C
|
|
|
439
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
440
|
c1nc([nH]n1)c2c(non2)N
|
|
|
441
|
C1CCC2C(C1)C(N3C2SCC3)C4NC(NC(N4)F)F
|
|
|
442
|
Cc1csc(n1)Sc2nc(ns2)Cl
|
|
|
443
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
|
444
|
c1cc(cc(c1)S(=O)(=O)/N=c/2[nH]c(c3c(n2)nc[nH]3)[O-])C#N
|
|
|
445
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
446
|
Cc1c(nnn1c2cc(cnc2C#N)C(F)(F)F)C(=O)C
|
|
|
447
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
|
448
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
449
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
450
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
451
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]3C(=O)[O-]
|
|
|
452
|
COCCn1c(nnn1)[C@@H](c2ccncc2)N3CCCC3
|
|
|
453
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
454
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
455
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
456
|
|
|
|
457
|
CCc1ccc(s1)c2c3c(ncnc3on2)NC
|
|
|
458
|
CC(=O)N1c2cc3c(cc2N(c4c1non4)C(=O)C)nccn3
|
|
|
459
|
|
|
|
460
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
461
|
c1ccc2c(c1)ncn2c3c(snn3)C(=O)N
|
|
|
462
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
463
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
464
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
465
|
Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
|
|
|
466
|
CC1=Cc2c(c(c(c(c2C#N)N)C(=O)OC)C(=O)OC)C1
|
|
|
467
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
468
|
CCOC(=O)CCc1cn2cc(nc(c2n1)OC)Br
|
|
|
469
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
|
470
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
471
|
|
|
|
472
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
473
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
474
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
475
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
476
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
477
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
478
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
479
|
c1ccc(cc1)n2c(nnn2)n3c4ccccc4nn3
|
|
|
480
|
c1cc2c(nc1)Sc3cccnc3S2
|
|
|
481
|
Cc1ccc(cc1)S(=O)(=O)N2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
|
482
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
483
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
|
484
|
CC(C)N1C(=O)C2NN3C(C(=O)N(C3=O)C(C)C)NN2C1=O
|
|
|
485
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
486
|
Cc1cc(co1)C(=O)n2ccnc2
|
|
|
487
|
Cc1c(non1)C(=O)[C@@H]2[C@H]3[C@@H]2C(=O)O[C@@H]3CO
|
|
|
488
|
Cn1c(c(c(=O)n(c1=O)C)C#N)n2c3ccccc3nn2
|
|
|
489
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
490
|
CN(C)c1nc([nH]/c(=NS(=O)(=O)c2ccc(cc2)Cl)/n1)N
|
|
|
491
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
|
492
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
493
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
|
494
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
495
|
CC(=O)/N=c/c(nn(s1)C(=O)C)C(=O)N
|
|
|
496
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
497
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
498
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
499
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
500
|
Cc1c(c([nH]n1)N)[C@@](c2nccn2C)(C(F)(F)F)O
|
|
|
501
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
502
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
503
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
504
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
505
|
|
|
|
506
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
507
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
508
|
|
|
|
509
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
510
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
511
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
512
|
Cc1c(=O)n2c(csc2nn1)c3ccccc3
|
|
|
513
|
Cc1c2c(n(n1)c3ccccc3)sc(n2)C
|
|
|
514
|
c1ccc(cc1)S(=O)(=O)NCc2nccs2
|
|
|
515
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
516
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
517
|
CC1=C(C(=O)OC1(C)C)c2[n-]nnn2
|
|
|
518
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
|
519
|
Cn1c(nnn1)Sc2cccc(c2C#N)F
|
|
|
520
|
|
|
|
521
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
522
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
523
|
c1ccc2c(c1)CCCN2c3c(cno3)C#N
|
|
|
524
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
|
525
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
526
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
527
|
c1ccc(cc1)n2c(=O)c(c(cn2)n3cc(nn3)CO)Cl
|
|
|
528
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
529
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
530
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
531
|
c1ccc2c(c1)c(c-3n[nH+]c4c(nc23)non4)O
|
|
|
532
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
533
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
534
|
Cc1cc(nc(n1)SN2CCCCC2)C
|
|
|
535
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
536
|
C1CCC(CC1)[C@@H]2[C@@H]3CCCCC=C3C(=C(C2=O)C#N)N
|
|
|
537
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
|
538
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
539
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
540
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
541
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
542
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
543
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
544
|
c1c(c(=O)[nH]c(=O)n1O[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)F
|
|
|
545
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
546
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
547
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
548
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
|
549
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
550
|
Cc1nc2c(o1)CCc3ccccc3[C@@H]2O
|
|
|
551
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
|
552
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
553
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
554
|
CCOC(=O)c1cnc(nc1Sc2nnc(s2)C)SC
|
|
|
555
|
Cc1cc(nc(n1)Sc2c(c(nc(c2F)F)F)F)C
|
|
|
556
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
557
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
|
558
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
559
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
560
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
561
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
|
562
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
563
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
564
|
|
|
|
565
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
566
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
567
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
568
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
|
569
|
Cn1cc(cn1)c2cnccn2
|
|
|
570
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|