Menu
Virtual screening for IDP 3OUG - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
2
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
3
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
4
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
5
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
6
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
7
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
8
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
9
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
10
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
11
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
12
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
13
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
14
|
Cc1cc2nc(nc(=O)n2o1)Oc3ccccc3
|
|
|
15
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
16
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
17
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
18
|
Cc1c(c(on1)C)c2nc(no2)CN3CCOCC3
|
|
|
19
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
20
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
21
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
22
|
Cc1c2c(nc(c(n2)c3ccc(nc3)OC)[O-])nc(n1)SC
|
|
|
23
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
|
24
|
c1cc(nnc1n2cncn2)[O-]
|
|
|
25
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
|
26
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
27
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
28
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
29
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
|
30
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
31
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
32
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
33
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
34
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
35
|
c1cnnc(n1)c2nccnn2
|
|
|
36
|
CC(=O)NCC1CNCCN1
|
|
|
37
|
CC1C2C(NNC1NC(=O)C)C[C@@H](C2)C(=C)C
|
|
|
38
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
39
|
Cc1cc(=O)n2n1c3ccccc3nn2
|
|
|
40
|
|
|
|
41
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
42
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
43
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
44
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
45
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
46
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
47
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
48
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
|
49
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
50
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
51
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
52
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
|
53
|
c1cnc(cn1)c2nnc(o2)N
|
|
|
54
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
55
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
56
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
57
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
|
58
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
59
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
60
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
61
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
62
|
|
|
|
63
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
64
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
65
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
66
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
67
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
68
|
C1CNCC2C1NC(C(C2)C3=CCCCC3)N
|
|
|
69
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
70
|
c1c(=O)nc2n(n1)C(=O)CS2
|
|
|
71
|
CN(C)c1nnnn1c2ncccn2
|
|
|
72
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
73
|
|
|
|
74
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
75
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
76
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
77
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
|
78
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
79
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
80
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
81
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
82
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
83
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
84
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
|
85
|
c1cc(ccc1c2csc3n2cnc-4ncnc34)Cl
|
|
|
86
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
87
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
88
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
89
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
90
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
91
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
|
92
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
93
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
94
|
|
|
|
95
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
96
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
97
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
98
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
99
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
100
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
101
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
102
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
|
103
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
104
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
105
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
|
106
|
c1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl
|
|
|
107
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
108
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
109
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
110
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
111
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
112
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
113
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
114
|
c1ccc(cc1)S(=O)(=O)CC2=Nc3cccn3C2=O
|
|
|
115
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
116
|
Cn1cc(ccc1=O)c2nnc(o2)c3cc4c(s3)CCC4
|
|
|
117
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
118
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
119
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
|
120
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
121
|
|
|
|
122
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
123
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
|
124
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
125
|
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
|
|
|
126
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
127
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
128
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
129
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
130
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
131
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
132
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
133
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
|
134
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
135
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
136
|
Cn1cnc2c(c1=O)noc2C(=O)c3ccccc3
|
|
|
137
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
138
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
139
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
140
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
141
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
|
142
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
143
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
144
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
145
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
146
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
147
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
148
|
CCn1cc2c(n1)c(=O)n(nn2)C3CCCCC3
|
|
|
149
|
Cc1ccc(c(c1)n2c3c(nn2)[C@@](CS3)(c4ccccc4)O)C
|
|
|
150
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
|
151
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
152
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
153
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
|
154
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
155
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
156
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
157
|
COC(=O)CC1(C(=O)NC(=O)N=C1[O-])CC(=O)OC
|
|
|
158
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
159
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
160
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
|
161
|
CCC(=O)Cc1cnccn1
|
|
|
162
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
163
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
164
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
165
|
c1c(c(n2c(n1)ncn2)[O-])n3cncn3
|
|
|
166
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
167
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
168
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
169
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
170
|
c1cc(sc1)CCNc2ncccn2
|
|
|
171
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
172
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
173
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
174
|
Cc1c(nn2c(=O)c(nnc2n1)C)[O-]
|
|
|
175
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
|
176
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
177
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
178
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
179
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
180
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
181
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
182
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
183
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
184
|
Cc1nc(c(nn1)[O-])Cc2ccccc2
|
|
|
185
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
186
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
187
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
188
|
CSc1nnc(c(=O)n1N)/C=C/c2cccs2
|
|
|
189
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
|
190
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
191
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
192
|
c1ccc2c(c1)Nc3c(cc(nn3)Cl)S2
|
|
|
193
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
194
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
195
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
196
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
197
|
Cc1c(=O)nc([nH]n1)c2cccs2
|
|
|
198
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
199
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
200
|
c1ccc(cc1)c2c3c(c(nn2)c4ccccc4)non3
|
|
|
201
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
202
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
203
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
|
204
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
205
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
|
206
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
207
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
208
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
209
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
210
|
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
|
|
|
211
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
212
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
213
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
214
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
215
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
216
|
|
|
|
217
|
c1ccn(c1)c2ccc(nn2)Cl
|
|
|
218
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
219
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
220
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
221
|
Cc1cc(no1)CSc2nncs2
|
|
|
222
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
223
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
224
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
225
|
Cc1nnc(s1)SC2=C(Nc3ccccc3NC2=O)C
|
|
|
226
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
227
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
228
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
229
|
|
|
|
230
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
231
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
|
232
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
233
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
|
234
|
c1ccc2c(c1)-c3c(c(=O)n([nH]3)c4ccccn4)CS2
|
|
|
235
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
236
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
237
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
238
|
CC(=O)NC1CCC2C(C1)NCNN2
|
|
|
239
|
CNc1nnc(s1)c2cnccn2
|
|
|
240
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
241
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
242
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
243
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
244
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
245
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
|
246
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
247
|
c1ccc2c(c1)[C@@H]3Cc4cccnc4[C@]2(C3)O
|
|
|
248
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
249
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
|
250
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
251
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
|
252
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
253
|
CCc1nnc(c2n1c(nn2)c3ccc(cc3)F)[O-]
|
|
|
254
|
c1ccc-2c(c1)Cc3c2nncc3
|
|
|
255
|
c1cc2c3c(c(ncn3)n4cccn4)sc2nc1
|
|
|
256
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
257
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
258
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
259
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
260
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
261
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
262
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
263
|
Cc1c(cc2cc[nH]c2n1)C#N
|
|
|
264
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
265
|
|
|
|
266
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
267
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
|
268
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
269
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
270
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
|
271
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
272
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
273
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
|
274
|
c1cc(ccc1c2nnnn2c3cnccn3)Cl
|
|
|
275
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
|
276
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
277
|
c1ccc2c(c1)c3ccc(nc3[nH]2)N
|
|
|
278
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
|
279
|
CC1(Cc2c(nc(c(n2)N)C(=O)OC)CO1)C
|
|
|
280
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|
|
|
281
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
282
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
283
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
284
|
C1COC(N1)NC2CCCCC2
|
|
|
285
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@@H]4C=C[C@H]3[C@@H]5[C@@H]4C=C5
|
|
|
286
|
CCN(CC)C1C(NNC2N1NC3C2CCCN3)C
|
|
|
287
|
Cc1c(=O)n2c(=O)cc(sc2nn1)C(=O)OC
|
|
|
288
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
289
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
290
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
291
|
c1c[nH]nc1c2nccs2
|
|
|
292
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
293
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
294
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
295
|
C1Cc2c3c(nnc4c3c(nn2)CCC4)C1
|
|
|
296
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
297
|
c1ccc(cc1)Oc2nc3cnccn3c(=O)n2
|
|
|
298
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
299
|
COc1ccc(cc1)c2nnc3n2NCS3
|
|
|
300
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
301
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
302
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
303
|
c1cnc2c(n1)C(=O)NCN2
|
|
|
304
|
C[C@@H](c1ccc(cc1)CC(C)C)/C(=N/S(=O)(=O)C)/[O-]
|
|
|
305
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
306
|
Cc1csc(n1)C[C@@](c2nccn2C)(C(F)(F)F)O
|
|
|
307
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
|
308
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
309
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
310
|
CC1=C(C[S@@](=O)N(C1)c2nc(sn2)SC)C
|
|
|
311
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
|
312
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
313
|
Cc1nnc(s1)N2CCOC2=O
|
|
|
314
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
315
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
316
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
|
317
|
CS(=O)(=O)NCc1ccccn1
|
|
|
318
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
319
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
320
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
321
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
|
322
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
323
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
324
|
c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
|
|
|
325
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
326
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
|
327
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
328
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
|
329
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
330
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
|
331
|
c1ccc2c(c1)nc3c(n2)nc[n-]3
|
|
|
332
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
333
|
c1cc2c(c3c1non3)nns2
|
|
|
334
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
|
335
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
336
|
C#Cc1ccc2c(c1)nccn2
|
|
|
337
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
338
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
339
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
|
340
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
341
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
342
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
|
343
|
Cc1csc2n1c-3nc4ccccc4c3nn2
|
|
|
344
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
345
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
346
|
CSc1nnc(nn1)SC
|
|
|
347
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
348
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
349
|
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)[O-])F
|
|
|
350
|
|
|
|
351
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
|
352
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
353
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
354
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
355
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
|
356
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
|
357
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
358
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
359
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
360
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
361
|
c1ccc2c(c1)nc3c(n2)Sc4c(cccn4)O3
|
|
|
362
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
|
363
|
|
|
|
364
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
|
365
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
366
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
367
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
|
368
|
CC1CC2N(N1)C(=O)C3CC4CCCCC4CC3O2
|
|
|
369
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
|
370
|
Cc1nc(no1)Cn2cccc(c2=O)C(F)(F)F
|
|
|
371
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
372
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
373
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
374
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
375
|
c1(c(nnc(n1)Cl)Cl)Cl
|
|
|
376
|
Cc1c(=O)n2c(nn1)N(CC2)C
|
|
|
377
|
COCCn1c(=O)c2c(nn1)scn2
|
|
|
378
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
379
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
380
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
381
|
c1ccc(cc1)c2nncnn2
|
|
|
382
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
383
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
|
384
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
385
|
c1ccc(cc1)Nc2ccccn2
|
|
|
386
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
|
387
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
388
|
CSC1NNC(S1)C2CCCS2
|
|
|
389
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
|
390
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
391
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
392
|
Cc1ccc(nc1)n2cnnn2
|
|
|
393
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
394
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
395
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
|
396
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
|
397
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
|
398
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
399
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
400
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
401
|
CC(C)N1C(=O)C2NN3C(C(=O)N(C3=O)C(C)C)NN2C1=O
|
|
|
402
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
403
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
404
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
405
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
406
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
|
407
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
408
|
c1cnn(c1)CCSc2nncs2
|
|
|
409
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
410
|
|
|
|
411
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
412
|
c1cc2c(nc1)n(c(=O)o2)CCN3CCOCC3
|
|
|
413
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
|
414
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
|
415
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
|
416
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
417
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
418
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
|
419
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
|
420
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
|
421
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)S2
|
|
|
422
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
423
|
Cc1c(c2c3nnc(n3cnc2o1)C)C(=O)[O-]
|
|
|
424
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
425
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
|
426
|
Cc1c(sc(n1)C)c2cc(n3c(n2)c(cn3)c4ccccc4)[O-]
|
|
|
427
|
Cn1c(=O)n2cnc(c2nn1)C#N
|
|
|
428
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
|
429
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
430
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
431
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
432
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
433
|
c1ccc(cc1)c2cnccn2
|
|
|
434
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
435
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
|
436
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
437
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
|
438
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
439
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
440
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
|
441
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
442
|
CC(=O)NCc1ccccn1
|
|
|
443
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
|
444
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
445
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
446
|
COC1NC2CCCCC2NN1
|
|
|
447
|
c1ncn(n1)C(=O)NC2CCCCC2
|
|
|
448
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
449
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
450
|
C1CCC2C(C1)C3C([NH]2)C(=O)C(CS3)C#N
|
|
|
451
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
452
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
453
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
|
454
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
|
455
|
c1cnc(nc1c2nccs2)N
|
|
|
456
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
457
|
c1cc2c(nc1)nc(s2)Cl
|
|
|
458
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
459
|
C/C=C/1C(=O)[NH]/C(=C/C2CCCCC2)/C(=O)[NH]1
|
|
|
460
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
|
461
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
462
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
463
|
C[C@@H]1Nc2ccccc2-c3c(nc(nn3)SC)O1
|
|
|
464
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
465
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
|
466
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
467
|
Cc1c(nnc(c1C#N)NCc2ccoc2)C
|
|
|
468
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
469
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
470
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
471
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
472
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
473
|
Cc1cc(n(n1)c2nc(c(nn2)C)[O-])C
|
|
|
474
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
475
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
476
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
|
477
|
CC1NC(ON1)C2CNCCN2
|
|
|
478
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
479
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
|
480
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
481
|
Cc1nnc(s1)c2ccccc2
|
|
|
482
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
|
483
|
c1cnn2c1nnc(c2[O-])C#N
|
|
|
484
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
485
|
c1ccc(cc1)CCc2csnn2
|
|
|
486
|
c1ccnc(c1)SCc2ccco2
|
|
|
487
|
c1ccc(cc1)Sn2c3ccccc3nn2
|
|
|
488
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
|
489
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
490
|
c1ccc2c(c1)c(=O)n(s2)c3nccs3
|
|
|
491
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
492
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
493
|
|
|
|
494
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
495
|
c1ccc(cc1)[C@@H]2CNC3=C2C(=O)Nc4ccccc4N3
|
|
|
496
|
|
|
|
497
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
|
498
|
c1nc(nc2n1c3c(n2)CCC3)N
|
|
|
499
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
500
|
Cc1c2c([nH]n1)C(=O)N([C@H]2c3ccccc3)c4ccccn4
|
|
|
501
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
502
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
503
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
|
504
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
505
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
|
506
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
507
|
CC1(CC(=CNC(=O)C1)c2ccccc2)C
|
|
|
508
|
c1ccc(cc1)c2nccnn2
|
|
|
509
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
510
|
CC1C2NNNN2C(=O)N(N1)C3CCCCC3
|
|
|
511
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
512
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
513
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
514
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
515
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
516
|
c1cc2c(nc1)nc(o2)N3CCCC3
|
|
|
517
|
CCN(CC)C(=O)/C=C(/CCCC#N)Sc1ccccc1
|
|
|
518
|
Cc1c(c(c2ncnn2n1)[O-])Cl
|
|
|
519
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
|
520
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
521
|
Cc1nnc(s1)SCSc2ccccn2
|
|
|
522
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
523
|
CSc1nnc(s1)CN2CCSc3c2cccc3
|
|
|
524
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
525
|
CCOc1nnc(s1)CN2CCOCC2
|
|
|
526
|
CCn1cnc2c3c(sc2c1=O)SCC(=O)N3
|
|
|
527
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
|
528
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
529
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
530
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
531
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
532
|
CNC1C2C(C3CCCCC3S2)NNN1
|
|
|
533
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
534
|
Cc1c(nnc(n1)SC)C
|
|
|
535
|
|
|
|
536
|
c1ccc(cc1)c2nnc3n2CCCS3
|
|
|
537
|
CC1(Cc2c(n3c(c2C#N)nc(cn3)c4ccccc4)CO1)C
|
|
|
538
|
CN(C)C(=O)NCCN1CCCCCc2c1cccc2
|
|
|
539
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
540
|
CCOC(=O)N1CCC(=CC1)c2c(nn(c2N)C)C
|
|
|
541
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
542
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
543
|
|
|
|
544
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
|
545
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
|
546
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
547
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
548
|
c1cc(ccc1/C=c/c(=O)n3c(=O)c(c(nc3s2)O)N)F
|
|
|
549
|
c1ccc(cc1)c2c3c(c(nn2)[O-])nc[nH]3
|
|
|
550
|
Cc1cn(nn1)c2ccccc2
|
|
|
551
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
552
|
CC(=O)OC1C2C(C(NN1)[O-])SCCS2
|
|
|
553
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
554
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
555
|
Cc1ccc(cc1)S(=O)(=O)[C@@H](C#N)c2c(nccn2)Cl
|
|
|
556
|
|
|
|
557
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
558
|
|
|
|
559
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
560
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
|
561
|
CC(C)C(=O)Nc1nc[nH]n1
|
|
|
562
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
563
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
564
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
565
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
566
|
CC(=O)N1C[C@@H]2CC[C@@]([C@@H]2C1)(c3cccc(c3)OC)O
|
|
|
567
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
568
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
569
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
|
570
|
c1ccc(cc1)[C@@H]2C(=O)Oc3cccnc3S2
|
|
|
571
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|