(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
2
|
|
|
3
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
4
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
5
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
6
|
|
|
7
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
8
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
9
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
10
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
11
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
12
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
13
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
14
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
15
|
|
|
16
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
17
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
18
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
19
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
20
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
21
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
22
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
23
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
24
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
25
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
26
|
CCO[C@@H]1C=C/C(=C/C#Cc2ccccc2)/O1
|
|
27
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
28
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
29
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
30
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
31
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
32
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
33
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
34
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
35
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
36
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
37
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
38
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
39
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
40
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
41
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
42
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
43
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
44
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
45
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
46
|
|
|
47
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
48
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
49
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
50
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
51
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
52
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
53
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
54
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
55
|
|
|
56
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
57
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
58
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
59
|
CS(=O)(=O)NCCOc1ccccc1
|
|
60
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
61
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
62
|
|
|
63
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
64
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
65
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
66
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
67
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
68
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
69
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
70
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
71
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
72
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
73
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
74
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
75
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
76
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
77
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
78
|
CCOC(=O)C1=C(Oc2ccccc2NC1=O)N
|
|
79
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
80
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
81
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
82
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
83
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
84
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
85
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
86
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
87
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
88
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
89
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
90
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
91
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
92
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
93
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
94
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
95
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
96
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
97
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
98
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
99
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
100
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
101
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
102
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
103
|
Cc1ccccc1NC2=NC(=[NH+]C(N2)(C)C)N
|
|
104
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
105
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
106
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
107
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
108
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
109
|
|
|
110
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
111
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
112
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
113
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
114
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
115
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
116
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
117
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
118
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
119
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
120
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
121
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
122
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
123
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
124
|
CSc1nc2c(cc(s2)c3ccccc3)nn1
|
|
125
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
126
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
127
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
128
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
129
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
130
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
131
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
132
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
133
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
134
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
135
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
136
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
137
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
138
|
|
|
139
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
140
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
141
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
142
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
143
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
144
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
145
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
146
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
147
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
148
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
149
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
150
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
151
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
152
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
153
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
154
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
155
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
156
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
157
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
158
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
159
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
160
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
161
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
162
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
163
|
c1ccc(cc1)CCn2cnnn2
|
|
164
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
165
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
166
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
167
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
168
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
169
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
170
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
171
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
172
|
COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
|
|
173
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
174
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
175
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
176
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
177
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
178
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
179
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
180
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
181
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
182
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
183
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
184
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
185
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
186
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
187
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
188
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
189
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
190
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
191
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
192
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
193
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
194
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
195
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
196
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
197
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
198
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
199
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
200
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
201
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
202
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
203
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
204
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
205
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
206
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
207
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
208
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
209
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
210
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
211
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
212
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
213
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
214
|
|
|
215
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
216
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
217
|
CC(C)(C)OC(=O)N1CCC(CC1)Cc2cnc[nH]2
|
|
218
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
219
|
c1ccc(cc1)CNn2cnnn2
|
|
220
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
221
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
222
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
223
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
224
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
225
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
226
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
227
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
228
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
229
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
230
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
231
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
232
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
233
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
234
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
235
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
236
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
237
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
238
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
239
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
240
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
241
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
242
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
243
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
244
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
245
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
246
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
247
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
248
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
249
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
250
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
251
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
252
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
253
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
254
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
255
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
256
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
257
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
258
|
c1ccc(cc1)CNc2c(non2)O
|
|
259
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
260
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
261
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
262
|
|
|
263
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
264
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
265
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
266
|
Cc1nc(co1)C#Cc2cccnc2
|
|
267
|
|
|
268
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
269
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
270
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
271
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
272
|
c1cc(ccc1C2=CC=NS(=O)(=O)N2)Cl
|
|
273
|
c1ccc(cc1)NCn2cncn2
|
|
274
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
275
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
276
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
277
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
278
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
279
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
280
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
281
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
282
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
283
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
284
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
285
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
286
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
287
|
CC#CC(=O)COC/C(=C/C=C)/C
|
|
288
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
289
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
290
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
291
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
292
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
293
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
294
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
295
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
296
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
297
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
298
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
299
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
300
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
301
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
302
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
303
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
304
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
305
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
306
|
CCO[C@@H]1C[C@@H](C=CO1)c2ccccc2
|
|
307
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
308
|
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
|
|
309
|
c1cc(ccc1/C=c/c(=O)n3c(=O)c(c(nc3s2)O)N)F
|
|
310
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
311
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
312
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
313
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
314
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
315
|
c1ccc(cc1)S[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
316
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
317
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
318
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
319
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
320
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
321
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
322
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
323
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
324
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
325
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
326
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
327
|
|
|
328
|
Cc1nnc(o1)Nc2ccccc2
|
|
329
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
330
|
c1cnn(c1)c2ccc(cc2)c3cnco3
|
|
331
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
332
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
333
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
334
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
335
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
336
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
337
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
338
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
339
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
340
|
CCOc1nnc(o1)[N-]S(=O)(=O)c2ccc(cc2)N
|
|
341
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
342
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
343
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
344
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
345
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
346
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
347
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
348
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
349
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
350
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
351
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
352
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
353
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
354
|
|
|
355
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
356
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
357
|
c1nc(nn1CCC#N)N=N=N
|
|
358
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
359
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
360
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
361
|
Cc1nc(on1)NC(=O)c2ccccc2
|
|
362
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
363
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
364
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
365
|
|
|
366
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
367
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
368
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
369
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
370
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
371
|
Cc1c(sc(n1)NC(=O)C)c2nc(no2)c3ccccc3
|
|
372
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
373
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
374
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
375
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
376
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
377
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
378
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
379
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
380
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
381
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
382
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
383
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
384
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
385
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
386
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
387
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
388
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
389
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
390
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
391
|
|
|
392
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
393
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
394
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
395
|
|
|
396
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
397
|
c1ccc(cc1)COc2c(non2)N
|
|
398
|
CCOC(=O)NC#CNC(=O)OCC
|
|
399
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
400
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
401
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
402
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
403
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
404
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
405
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
406
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
407
|
c1ccc(cc1)CNc2cnccn2
|
|
408
|
c1cc(oc1)c2nc([nH]n2)N
|
|
409
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
410
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
411
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
412
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
413
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
414
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
415
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
416
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
417
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
418
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
419
|
Cc1cc(n(n1)CCc2nnco2)C
|
|
420
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
421
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
422
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
423
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
424
|
Cc1ccn(n1)CC/N=C/[C@@H](C(=O)C2=O)NCCCOC
|
|
425
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
426
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
427
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
428
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
429
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
430
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
431
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
432
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
433
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
434
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
435
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
436
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
437
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
438
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
439
|
c1ccc(cc1)[C@H]2C[C@](N=C(N2)N)(C(F)(F)F)O
|
|
440
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
441
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
442
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
443
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
444
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
445
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
446
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
447
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
448
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
449
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
450
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
451
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
452
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
453
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
454
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
455
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
456
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
457
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
458
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
459
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
460
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
461
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
462
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
463
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
464
|
Cc1cc(cc(c1)NC(=O)c2c(nco2)C)C
|
|
465
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
466
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
467
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
468
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
469
|
c1ccc(cc1)NC(=O)/C=c/c(nc3n2ncn3)O
|
|
470
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
471
|
c1ccnc(c1)SCCn2cccn2
|
|
472
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
473
|
c1ccc(cc1)Nc2ccccn2
|
|
474
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
475
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
476
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
477
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
478
|
CC1=N[C@@H](C(=N[C@@H](C1)c2ccc(cc2)Cl)C#N)C#N
|
|
479
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
480
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
481
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
482
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
483
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
484
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
485
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
486
|
C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N
|
|
487
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
488
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
489
|
CCCNC(=O)Cc1nc[nH]n1
|
|
490
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
491
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
492
|
c1cc(cnc1)CCNCc2cscn2
|
|
493
|
Cc1c(sc(n1)C)c2nnc(o2)N
|
|
494
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
495
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
496
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
497
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
498
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
499
|
Cn1cccc1CNc2[n-]nnn2
|
|
500
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
501
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
502
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
503
|
Cc1ccc(cc1)[C@@H]2C(=NS(=O)(=O)[N-]2)N
|
|
504
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
505
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
506
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
507
|
c1cc(oc1)CNc2nnns2
|
|
508
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
509
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
510
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
511
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
512
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
513
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
514
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
515
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
516
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
517
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
518
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
519
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
520
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
521
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
522
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
523
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
524
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
525
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
526
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
527
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
528
|
Cc1nc(cs1)c2nc(cs2)C(=O)C
|
|
529
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
530
|
COC(=O)C[C@@H]1Cn2c(nc(n2)C(F)(F)F)N=C1[O-]
|
|
531
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
532
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
533
|
CC1C(N(C(C1C#C)C)C)/C=C/C(=C/C(=O)OC)/C
|
|
534
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
535
|
|
|
536
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
537
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
538
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
539
|
c1cc(cc(c1)S(=O)(=O)/N=c/2[nH]c(c3c(n2)nc[nH]3)[O-])C#N
|
|
540
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
541
|
CC(=O)Nc1cc(n[nH]1)c2ccc(cc2)F
|
|
542
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
543
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
544
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
545
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
546
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
547
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
548
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
549
|
COCCC/N=C/[C@@H](C(=O)C1=O)NCCO
|
|
550
|
CCC/N=c/c(=N/c2cccnc2)/c(c1O)O
|
|
551
|
CCOc1nnc(s1)CN2CCOCC2
|
|
552
|
CC(=O)OC#CCCCS(=O)(=O)[O-]
|
|
553
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
554
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
555
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
556
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
557
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
558
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
559
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
560
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
561
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
562
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
563
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
564
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
565
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
566
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
567
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
568
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
569
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
570
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
571
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
572
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
573
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
574
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
575
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
576
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
577
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
578
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
579
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
580
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
581
|
Cc1cccc(c1)NC2=NCCO2
|
|
582
|
Cn1c(ccn1)C(=O)Nn2cnnc2
|
|
583
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
584
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
585
|
Cc1cnc(o1)COc2ccccc2
|
|
586
|
Cc1c(cc2c(n1)sc(=O)[nH]2)c3ccncc3
|
|
587
|
c1c([nH]nn1)SCC(=O)N
|
|
588
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
589
|
Cc1nc(cs1)c2ccc[nH]2
|
|
590
|
CCOC(=O)C1C(C2C(S1)N(C(=O)S2)C3CCCCC3)[O-]
|
|
591
|
Cc1c(non1)c2cc3ccccn3c2
|
|
592
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
593
|
CN(C)c1nnc(o1)[C@H]2C=N[NH+]=C2N
|
|
594
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
595
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
596
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
597
|
c1cc(ccc1/N=C(/Nc2[n-]nnn2)O)Cl
|
|
598
|
c1cc2c(cc1c3nccs3)CC=C2
|
|
599
|
c1cn(cn1)c2nc(nc(n2)Cl)N3CCCCC3
|
|
600
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
601
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
602
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
603
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
604
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
605
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
606
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
607
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
608
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
609
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
610
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
611
|
|
|
612
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
613
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
614
|
c1ccc(cc1)COc2c(nccn2)N
|
|
615
|
c1ccc(cc1)Nc2nccs2
|
|
616
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
617
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
618
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
619
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
620
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
621
|
c1ccc(cc1)CNc2cnoc2
|
|
622
|
c1ccc(cc1)n2c(=O)c3cnc4c(c3[nH]2)cc(s4)C(=O)[O-]
|
|
623
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
624
|
CC(=CCC/C(=C/Cn1ccnc1)/C)C
|
|
625
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
626
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
627
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
628
|
c1cc(ncc1C#N)NCc2nccs2
|
|
629
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
630
|
c1ccc(cc1)C2=NC(=O)CN2
|
|
631
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
632
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
633
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
634
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
635
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
636
|
CC(C)(C)c1cc2n(n1)C3=NCCN3C=N2
|
|
637
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
638
|
c1ccc(cc1)Nc2nnns2
|
|
639
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
640
|
CC(C)c1nc([nH]n1)CC#N
|
|
641
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
642
|
c1ccc(cc1)COn2ccnc2
|
|
643
|
Cc1ccc(cc1)NS(=O)(=O)c2ccc(o2)Br
|
|
644
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
645
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
646
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
647
|
Cn1c(ncn1)c2csc(n2)c3ccncc3
|
|
648
|
CCS(=O)(=O)NCCn1cccn1
|
|
649
|
|
|
650
|
CCOc1cc(no1)Oc2ccccc2
|
|
651
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
652
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
653
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
654
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
655
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
656
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
657
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
658
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
659
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
660
|
c1ccc(cc1)C2=CSc3nc(nc(=[NH2+])n3N2)N
|
|
661
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
662
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
663
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
664
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
665
|
CC(=O)Nc1ccc2c(c1)ccs2
|
|
666
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
667
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
668
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
669
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
670
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
671
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
672
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
673
|
|
|
674
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
675
|
CC1NC(CC(=O)O1)C2CCCCC2
|
|
676
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
677
|
Cc1c(nn(c(=O)c1c2nc(c(s2)C(=O)[O-])C)C)C
|
|
678
|
c1cc(sc1)CCNc2ncccn2
|
|
679
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
680
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
681
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
682
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
683
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
684
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
685
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
686
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
687
|
c1ccc2c(c1)OC(=Cc3ccco3)O2
|
|
688
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
689
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
690
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
691
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
692
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
693
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
694
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
695
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
696
|
c1ccc2c(c1)nn(n2)c3cc(n[nH]3)O
|
|
697
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
698
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
699
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
700
|
C1CC(OC1)CNC2=NCCO2
|
|
701
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
702
|
Cc1ccc(cc1)c2cnco2
|
|
703
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
704
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
705
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
706
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
707
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
708
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
709
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
710
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
711
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
712
|
c1cc2c(cc1c3c4ccoc4ccn3)OCCO2
|
|
713
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
714
|
c1ccc(cc1)c2ncc(o2)C3=NCCO3
|
|
715
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
716
|
CCOC(=O)[C@@H]1CCC(=N1)c2ccc[nH]2
|
|
717
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
718
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
719
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
720
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
721
|
COc1ccc(cc1)c2c(c(sn2)C(=O)OC)N
|
|
722
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
723
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
724
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
725
|
c1cc(sc1)c2ccn[nH]2
|
|
726
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
727
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
728
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
729
|
c1cc(cnc1)CNCCc2ccco2
|
|
730
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
731
|
Cc1ccc(cc1)N2Cc3ccccc3C=C2N
|
|
732
|
Cc1[nH]nc(n1)c2ccccc2
|
|
733
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
734
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
735
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
736
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
737
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
738
|
CCOC(=O)c1[nH]nc(n1)N
|
|
739
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
740
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
741
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
742
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
743
|
c1ccc2c(c1)cccc2C[C@@H]3NCC=N3
|
|
744
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
745
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
746
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
747
|
CC(=O)O[C@@H]1CC([C@H](O1)OCc2ccccc2)(F)F
|
|
748
|
Cc1c(non1)NCn2cnc3c2c(=O)n(c(=O)n3C)C
|
|
749
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
750
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
751
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
752
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
753
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
754
|
CCOc1ccc2c(nc(nc2c1)/N=C/NCCC(=N3)[O-])C
|
|
755
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
756
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
757
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
758
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
759
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
760
|
c1c[nH]nc1c2nccs2
|
|
761
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
762
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
763
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
764
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
765
|
[H]/N=c/n(nc(s1)N2CCOCC2)Cc3ccccc3
|
|
766
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
767
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
768
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
769
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
770
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
771
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
772
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
773
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
774
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
775
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
776
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
777
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
778
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
779
|
c1cc(=O)n2n(c1=O)CN(C2)n3cnnc3
|
|
780
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
781
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
782
|
c1ccc(cc1)/C=C/c2ccncn2
|
|
783
|
C1CCC(CC1)Nc2nnns2
|
|
784
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
785
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
786
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
787
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
788
|
Cc1c2c(c(no2)c3ccccc3)nc(n1)C
|
|
789
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
790
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
791
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
792
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
793
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
794
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
795
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
796
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
797
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
798
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
799
|
c1ccc(cc1)C2=CCC(=O)O2
|
|
800
|
c1ccn2cc(nc2c1)CC#N
|
|
801
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
802
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
803
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
804
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
805
|
CCO/C(=C/C1=NC(=O)[C@@](C1)(C(F)(F)F)[O-])/[O-]
|
|
806
|
CCOC(=O)Nc1c(n[nH]n1)Cl
|
|
807
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
808
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
809
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
810
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
811
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
812
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
813
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
814
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
815
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
816
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
817
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
818
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
819
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
820
|
|
|
821
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
822
|
CCOc1ccc(nn1)Sc2cc(nc(n2)SCC)C
|
|
823
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
824
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
825
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
826
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
827
|
Cc1cnc(o1)Cn2cccn2
|
|
828
|
c1cnccc1c2nnc3n2CCC3
|
|
829
|
Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
|
|
830
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
831
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
832
|
c1cc(oc1)CNc2[n-]nnn2
|
|
833
|
c1ccnc(c1)Nc2cccs2
|
|
834
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
835
|
c1ccc(cc1)Oc2c(non2)N
|
|
836
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
837
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
838
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
839
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
840
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
841
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
842
|
COc1ccc(cc1)/N=c/[nH]c(cc(=O)[nH]2)O
|
|
843
|
c1ccc(cc1)n2nc3ccc4c(c3n2)non4
|
|
844
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
845
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
846
|
c1ccc(cc1)OCc2nnco2
|
|
847
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
848
|
c1ccc(cc1)C#CCS(=O)(=O)[O-]
|
|
849
|
c1ccc(cc1)NCc2ccco2
|
|
850
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
851
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
852
|
CC1=C(CC(=O)N1Cc2ccco2)C(=O)OC
|
|
853
|
COc1cccc(n1)[C@H]2CCC(=O)NC2
|
|
854
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
855
|
|
|
856
|
c1ccc(cc1)c2cc(c(o2)n3cccc3)C#N
|
|
857
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
858
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
859
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
860
|
|
|
861
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
862
|
COC(=O)C1=Nn2c3ccccc3nc2CC1
|
|
863
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
864
|
CCOC(=O)N1CCC(=CC1)c2c(nn(c2N)C)C
|
|
865
|
C[C@@H]1CN/C(=C/C(=O)CC(C)C)/C(=O)N1
|
|
866
|
Cc1nc(cs1)c2ccc3c(c2)CCN3
|
|
867
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
868
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
869
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
870
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
871
|
Cc1ccc(cc1)c2cc(=O)cc(s2)Cl
|
|
872
|
c1ccc2c(c1)n(c(=O)o2)Cc3ccon3
|
|
873
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
874
|
|
|
875
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
876
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
877
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
878
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
879
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
880
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
881
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
882
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
883
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2[nH]nc3
|
|
884
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
885
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
886
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
887
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
888
|
|
|
889
|
Cc1nc(nc(n1)N)c2ccccc2
|
|
890
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
891
|
CCN(CC)CC#CC1=CCCC1
|
|
892
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
893
|
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
|
|
894
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
895
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
896
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
897
|
COC(=O)C#CC1=CCCCC1
|
|
898
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
899
|
|
|
900
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
901
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
902
|
Cc1csc(n1)c2cn[nH]c2N
|
|
903
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
904
|
c1cc(cc(c1)OCc2cscn2)N
|
|
905
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
906
|
c1nncn1/N=N/n2cnnc2
|
|
907
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
908
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
909
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
910
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
911
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
912
|
C1CCC(CC1)SC[C@@]2(CCCC=C2)O
|
|
913
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
914
|
Cn1c2ccccc2nc1Nc3c(=O)[nH]c(=O)[nH]n3
|
|
915
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
916
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
917
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
918
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
919
|
CN(C)c1nc([nH]/c(=NS(=O)(=O)c2ccc(cc2)Cl)/n1)N
|
|
920
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
921
|
C=CCn1cc(ccc1=O)c2ccco2
|
|
922
|
C1CCC(CC1)CC2CCC[NH]2
|
|
923
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
924
|
c1ccc(cc1)NCc2cscn2
|
|
925
|
C1CCC(C(C1)NC2[NH+]C(C(N2O)[O-])N)F
|
|
926
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
927
|
COC1=C(COC1=O)CC2CCCCC2
|
|
928
|
CNC(=O)N[C@@H]1CCCC=C1
|
|
929
|
COC1=COC(=C(O1)O)C2CCC(CC2)F
|
|
930
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
931
|
Cn1cc(cn1)c2nnc(o2)SC
|
|
932
|
c1ccc(cc1)c2cc(=O)c2=O
|
|
933
|
CCOC(=O)Nc1nc2ccn(c2s1)C
|
|
934
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
935
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
936
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
937
|
c1cc(ccc1C(=O)N2CC=C(N=CC2)C(F)(F)F)Cl
|
|
938
|
CC#CCCCCCCC#CC
|
|
939
|
C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
|
|
940
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
941
|
c1ccc(cc1)c2cc3cnsc3o2
|
|
942
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
943
|
c1ccc(cc1)SCn2cncn2
|
|
944
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
945
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
946
|
c1c(c(=O)[nH]c(=O)n1O[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)F
|
|
947
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
948
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
949
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
950
|
C=CCNC(=O)c1ccco1
|
|
951
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
952
|
|
|
953
|
Cc1cccc(c1)/N=C/2CNC(=NC2=O)[O-]
|
|
954
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
955
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
956
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
957
|
C1CC(C(CC1O)C2=NCCC2)O
|
|
958
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
959
|
|
|
960
|
Cc1[nH]cc([nH+]1)S(=O)(=O)[N-]c2cc(nn2C)c3ccccc3
|
|
961
|
CCOC(=O)CN1CCC(=CC1)C
|
|
962
|
Cn1c2c(cn1)[C@@H](CC(=N2)O)C3=Cc4ccccc4OC3
|
|
963
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
964
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
965
|
c1cc(ccc1Cn2c(=O)oc(n2)c3ccoc3)C#N
|
|
966
|
CC(C)(C)c1c/c(=N/S(=O)(=O)N(C)C)/cc[nH]1
|
|
967
|
Cc1ccc(nc1C)c2ccoc2
|
|
968
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
969
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
970
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
971
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
972
|
c1ccc(cc1)/C=C/c2csnn2
|
|
973
|
CCC(=O)C#Cc1ccccc1
|
|
974
|
CCOC(=O)CC/C=C/C#C
|
|
975
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
976
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
977
|
c1nc([nH]n1)c2c(non2)N
|
|
978
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
979
|
c1ccc(cc1)N2Cn3c(=O)ccc(=O)n3C2
|
|
980
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
981
|
CCOC(=O)N=[S@@](=O)(c1ccccc1)N
|
|
982
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
983
|
Cc1nc(sn1)C2=CCCN(C2)C
|
|
984
|
CC(=O)NCCc1coc2c1ccnc2
|
|
985
|
C=CCOCCOCCC#N
|
|
986
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
987
|
CCCCC#C/C=C/COC(=O)C
|
|
988
|
CCCCN/C(=CC1=NCCC1)/C
|
|
989
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
990
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
991
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
992
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
993
|
c1ccc(cc1)[C@@H]2COC(=O)CN2
|
|
994
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
995
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
996
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
997
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
998
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
999
|
c1ccc(cc1)Nn2cncn2
|
|
1000
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
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