(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
2
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
3
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
4
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
5
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
6
|
CC1CC2CC3CCCNN3C2NN1
|
|
7
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
8
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)no2
|
|
9
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
10
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
11
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
12
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
13
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
14
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
15
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
16
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
17
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
18
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
19
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
20
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
21
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
22
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
23
|
CNC1C2C(C3CCCCC3S2)NNN1
|
|
24
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
25
|
|
|
26
|
CN1c2ccccc2Oc3c1cc(nn3)Cl
|
|
27
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
28
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
29
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
30
|
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
|
|
31
|
COC(=O)C[C@@H]1Cn2c(nc(n2)C(F)(F)F)N=C1[O-]
|
|
32
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
33
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
34
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
35
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
36
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
37
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
38
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
39
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
40
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
41
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
42
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
43
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
44
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
45
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
46
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
47
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
48
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
49
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
50
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
51
|
c1ccc(cc1)C(=O)N2CCC3=CC(=O)O[C@@H]3C2
|
|
52
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
53
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
54
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
55
|
Cc1cc(no1)c2c(c(no2)C)CO
|
|
56
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
57
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
58
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
59
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
60
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
61
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
62
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
63
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
64
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
65
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
66
|
CC1(C=CN(C=C1)C(=O)C2=NC=CC2)C
|
|
67
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
68
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
69
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
70
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
71
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
72
|
c1ccc2c(c1)c(=O)n3c(n2)ccc(=O)[nH]3
|
|
73
|
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)Nc3nccs3
|
|
74
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
75
|
|
|
76
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
77
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
78
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
79
|
c1ccc(cc1)c2ncc(o2)C3=NCCO3
|
|
80
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
81
|
c1ccc2c(c1)Nc3c(cc(nn3)Cl)S2
|
|
82
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
83
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
84
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
85
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
86
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
87
|
c1ccnc(c1)/C=C/c2ccco2
|
|
88
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
89
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
90
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
91
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
92
|
|
|
93
|
C1CCC(CC1)N2CC(=C(C2=O)[O-])C(=O)N
|
|
94
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
95
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
96
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
97
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
98
|
CNC(=O)Nc1c2ccccc2nnn1
|
|
99
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
100
|
CC1(Cc2c(nc(c(n2)N)C(=O)OC)CO1)C
|
|
101
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
102
|
|
|
103
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
104
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
105
|
CCNC(=O)Oc1c2ccccc2on1
|
|
106
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
107
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
108
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
109
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
110
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
111
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
112
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
113
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
114
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
115
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
116
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
117
|
Cc1csc2c1n3c(c(nn3)C#N)[nH]c2=O
|
|
118
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
119
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
120
|
CC1=CC(N=c2n1c(=O)/c(=C/C(=O)OC)/[nH]2)(C)C
|
|
121
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
122
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
123
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
124
|
CCOc1cc(no1)Oc2ccccc2
|
|
125
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
126
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
127
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
128
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
129
|
c1ccc(cc1)NC(=O)c2nnc(s2)C(F)(F)F
|
|
130
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
131
|
C1CNCC2C1NC(C(C2)C3=CCCCC3)N
|
|
132
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
133
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
134
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
135
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
136
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
137
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
138
|
Cc1nc(c(nn1)[O-])Cc2ccccc2
|
|
139
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
140
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
141
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
142
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
143
|
|
|
144
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
145
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
146
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
147
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
148
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
149
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
150
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
151
|
CC1CCC2C(C1)NC(C(=O)O2)C3CCCCC3
|
|
152
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
153
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
154
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
155
|
|
|
156
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
157
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
158
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
159
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
160
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
161
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
162
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
163
|
CCCc1nc([nH]n1)c2ccccc2O
|
|
164
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
165
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
166
|
|
|
167
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
168
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
169
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
170
|
|
|
171
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
172
|
CC1=C([C@@](N=C(N1)C(F)(F)F)(C)O)Oc2ccc(cc2)Cl
|
|
173
|
CC(C)(C)c1cc(no1)n2c(=O)c3ccccc3[nH]c2=O
|
|
174
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
175
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
176
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
177
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
178
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
179
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
180
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
181
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
182
|
CN1C(=O)C(C(CN1)SC2NC3CCCCC3S2)CL
|
|
183
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
184
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
185
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
186
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
187
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
188
|
c1ccc(cc1)c2cn3c(n2)scn3
|
|
189
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
190
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
191
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
192
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
193
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
194
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
195
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
196
|
c1ccc2c(c1)Nc3cc(=O)[nH]nc3N2
|
|
197
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
198
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
199
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
200
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
201
|
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)[O-])F
|
|
202
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
203
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
204
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
205
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
206
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
207
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
208
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
209
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
210
|
CC(C)(C)OC(=O)Nc1cc2c(nc1)n(cn2)C
|
|
211
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
212
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
213
|
CCOC(=O)c1c(c2c([nH]1)cccc2F)N
|
|
214
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
215
|
CS(=O)(=O)N[C@@H]1CC(=O)N(C1)c2ccccc2
|
|
216
|
CC(C)(C)c1c2c(no1)-c3ccccc3C2=O
|
|
217
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
218
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
219
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
220
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
221
|
|
|
222
|
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2N(C1=O)CCCO2
|
|
223
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
224
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
225
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
226
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
227
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
228
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
229
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
230
|
C1CCC2C(C1)NC3C(N2)NSN3
|
|
231
|
c1cc(ccc1C(=O)N2CC=C(N=CC2)C(F)(F)F)Cl
|
|
232
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
233
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
234
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
235
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
236
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
237
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
238
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
239
|
Cc1ccc(cc1)c2nnc(o2)c3c(cnc(n3)SC)Cl
|
|
240
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
241
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
242
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
243
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
244
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
245
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
246
|
|
|
247
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
248
|
Cn1cc(cn1)c2nnc(o2)SC
|
|
249
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
250
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
251
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
252
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
253
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
254
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
255
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
256
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
257
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
258
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
259
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
260
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
261
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
262
|
Cc1nc(cs1)C#C[C@@H]2C=CC=NC2=O
|
|
263
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
264
|
C1=N[C@@H]2[C@@H](C(=O)N1)N=CN2[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
|
|
265
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
266
|
c1cc(cnc1)CCNCc2cscn2
|
|
267
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
268
|
COC(=O)C[C@@H]1Cn2c(ncn2)N=C1O
|
|
269
|
c1ccc(cc1)NCc2cscn2
|
|
270
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
271
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
272
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
273
|
c1ccc2c(c1)C(=O)C(C2=O)(c3c([nH]c(=O)[nH]c3=O)[O-])O
|
|
274
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
275
|
Cc1cn(nn1)c2ccccc2
|
|
276
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
277
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
278
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
279
|
|
|
280
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
281
|
C1CCC2C(C1)C(=O)C3C(O2)CC4(CCCCC4)OC3=O
|
|
282
|
CCc1ccc(cc1)N2C(=O)CC(=O)N=C2O
|
|
283
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
284
|
CC(C)([C@@H](Cc1ccc2c(c1O)COC2)O)O
|
|
285
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
286
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
287
|
|
|
288
|
c1ccnc(c1)C#CC2=CCCC2
|
|
289
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
290
|
c1cc(sc1)C(=O)/C=C/2C(=O)NCCN2
|
|
291
|
CCOC(=O)C1=CN/C(=C(/O)OCC)/C1=O
|
|
292
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
293
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
294
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
295
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
296
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
297
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
298
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
299
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
300
|
c1cc(ccc1NC(=O)c2cc(=O)[nH+]c(s2)N)F
|
|
301
|
|
|
302
|
c1ccc(cc1)COc2c(nccn2)N
|
|
303
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
304
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
305
|
c1ccc2c(c1)Cn3c(cnn3)C=N2
|
|
306
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
307
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
308
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
309
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
310
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
311
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
312
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
313
|
c1ccc(cc1)c2ncc(o2)c3ncco3
|
|
314
|
Cn1c(=O)c2c(c3ccccc3[nH]2)nn1
|
|
315
|
Cc1cc(no1)c2nnc(o2)N
|
|
316
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
317
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
318
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
319
|
CNC(=O)Nc1ccc2c(c1)nnn2C
|
|
320
|
|
|
321
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
322
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
323
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
324
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
325
|
c1ccc(cc1)C(=O)c2ccc(=O)oc2
|
|
326
|
c1ccc(cc1)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
327
|
Cc1csc2n1c-3nc4ccccc4c3nn2
|
|
328
|
CCc1cc2c(cc1O)occ(c2=O)n3ccccc3=O
|
|
329
|
C1CCN(CC1)C2NC(=O)C(NS2)N
|
|
330
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
331
|
|
|
332
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
333
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
334
|
C#Cc1cc2ccccc2nc1
|
|
335
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
336
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
337
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
338
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
339
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
340
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
341
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
342
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
343
|
CCOC(=O)c1cnc2c3c1onc3CCC2
|
|
344
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
345
|
CC(C)(C)OC(=O)N1CCC(CC1)Cc2cnc[nH]2
|
|
346
|
CCOc1nnc(s1)CN2CCOCC2
|
|
347
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
348
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
349
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
350
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
351
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
352
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
353
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
354
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
355
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
356
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
357
|
c1cc(cnc1)C(=O)c2ccco2
|
|
358
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
359
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
360
|
|
|
361
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
362
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
363
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
364
|
C1CCC2C(C1)CC3N(C2=O)CCN3
|
|
365
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
366
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
367
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
368
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
369
|
c1c(cnc2c1CCCC2)C#N
|
|
370
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
371
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
372
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
373
|
CC1CC2N(N1)C(=O)C3CC4CCCCC4CC3O2
|
|
374
|
Cn1cc(cn1)c2cc(on2)CO
|
|
375
|
CS(=O)(=O)NCCOc1ccccc1
|
|
376
|
c1cc(cc(c1)OCc2cscn2)N
|
|
377
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
378
|
c1ccc(cc1)COc2c(non2)N
|
|
379
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
380
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
381
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
382
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
383
|
CC(=O)Nc1coc2c1cccc2
|
|
384
|
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
|
|
385
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
386
|
CC1CC(ON1)C(=O)C2CCCCC2
|
|
387
|
CS(=O)(=O)Oc1nnc2n1nc(s2)OS(=O)(=O)C
|
|
388
|
Cc1ccc(nc1)n2cnnn2
|
|
389
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
390
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
391
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
392
|
Cc1cc(no1)[C@@H]2C([C@@H](C2(C)O)c3cc(on3)C)[O-]
|
|
393
|
c1ccc(cc1)Oc2ccccn2
|
|
394
|
c1ccc(cc1)C2=Nc3ccccc3NC=C2
|
|
395
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
396
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
397
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
398
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
399
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
400
|
c1c2c(nc3c1c(=O)n(cn3)CC(=O)[O-])CCC2
|
|
401
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
402
|
Cc1cc(c(c(=O)o1)Sc2ccccc2)[O-]
|
|
403
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
404
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
405
|
c1ccc(cc1)C2=COc3ccccc3O2
|
|
406
|
c1ccc(cc1)CCc2cnccn2
|
|
407
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
408
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
409
|
c1c(=O)[nH]c2c(n1)CCCC2
|
|
410
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
411
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
412
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
413
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
414
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
415
|
CCOc1cc2c(cc1F)nnc(n2)C
|
|
416
|
c1c2n(nc1C(=O)[O-])CCOC2
|
|
417
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
418
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
419
|
COc1nc(nc(n1)OC)C(=O)c2ccccc2
|
|
420
|
C/C=C/c1c2c(on1)C[C@@H](OC2=O)C
|
|
421
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
422
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
423
|
c1cc(ccc1[C@@H](c2c(nc3nnc(n3n2)N)[O-])C(=O)[O-])Cl
|
|
424
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
425
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
426
|
c1ccc2cc3c(cc2c1)NC=C4C(=NC(=O)S4)[N-]3
|
|
427
|
CCOC(=O)/C=C/1C2NNNN2-C3CCCCC3N1
|
|
428
|
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
|
|
429
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
430
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
431
|
c1cc(oc1)c2nnc3n2CCCCC3
|
|
432
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
433
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
434
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
435
|
c1cc(cc(c1)n2c(c(n(c2=O)C3CC3)[O-])[O-])N
|
|
436
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
437
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
438
|
C[C@@]1(C(OC(=O)N1CCc2ccco2)(C)C)O
|
|
439
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
440
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
441
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2cccn2C)[O-]
|
|
442
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
443
|
Cc1nnc(s1)N2CCOC2=O
|
|
444
|
Cc1cc(c(c(=O)o1)SC([C@@H](C(F)(F)F)F)(F)F)[O-]
|
|
445
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
446
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
447
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
448
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
449
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
450
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
451
|
Cc1cccc(n1)n2cc(c(nc2=O)[O-])C#N
|
|
452
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
453
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)CC5
|
|
454
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
455
|
Cc1c(nn(n1)c2ccccc2)C(=O)n3cccc3
|
|
456
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
457
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
458
|
CC1C2C(NNC1NC(=O)C)C[C@@H](C2)C(=C)C
|
|
459
|
CC1=CC(=O)N2CC3CC(CCC3N=C2N1)CL
|
|
460
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
461
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
462
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
463
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
464
|
Cc1c2cc3c(nc2on1)C(=O)OCC3
|
|
465
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
466
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
467
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
468
|
CC1(CO/C(=C/C(=O)c2ccccc2)/N1)C
|
|
469
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
470
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
471
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
472
|
Cc1c2cnc3ccccc3n2nn1
|
|
473
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
474
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
475
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
476
|
CCC(=O)N/C=C/c1ccccc1
|
|
477
|
CCOC(=O)c1cccnn1
|
|
478
|
|
|
479
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
480
|
COc1ccc2c(c1)occ(c2=O)c3ccon3
|
|
481
|
c1ccc2c(c1)N[C@@H]3CC(=N2)[C@@H]4OC[C@H]3O4
|
|
482
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
483
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
484
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
485
|
c1ccc(cc1)CNc2cnccn2
|
|
486
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
487
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
488
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
489
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
490
|
Cc1nnc(s1)c2ccccc2
|
|
491
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
492
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
493
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
494
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
495
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
496
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
497
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
498
|
C1CCC(CC1)CC2=NCCNC2=O
|
|
499
|
CCOC(=O)c1c2n(cn1)C(OC2=O)(C)C
|
|
500
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
501
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
502
|
c1ccc2c(c1)cc3c(n2)OC(=O)N(C3)C4CC4
|
|
503
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
504
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
505
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
|
506
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
507
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
508
|
c1cc2c(cc1N)c3c(o2)CCC3
|
|
509
|
c1ccc2c(c1)CN3CCCC3=[NH+]2
|
|
510
|
c1cnn(c1)Cn2cc(cn2)N
|
|
511
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
512
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
513
|
c1cocc1/C=C/2C(=NC(=O)N2)[O-]
|
|
514
|
CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
|
|
515
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
516
|
|
|
517
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
518
|
c1cc2c(nc1)NC3(N2)CCCCC3
|
|
519
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
520
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
521
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
522
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
523
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
524
|
CCOC(=O)c1cc2c3ccccc3oc2s1
|
|
525
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
526
|
c1cc(oc1/C=C/2C(=NC(=O)N2)[O-])N3CCCC3
|
|
527
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
528
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
529
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
530
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
531
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
532
|
CCCCc1c2c(n[nH]1)CC(CC2=O)(C)C
|
|
533
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
534
|
Cc1c(cco1)c2nc3ccccc3s2
|
|
535
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
536
|
C1CCC(CC1)C2C(=O)OC(=O)[NH]N2
|
|
537
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
538
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
539
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
540
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
541
|
Cc1cc(no1)CSc2ccccn2
|
|
542
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
543
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
544
|
c1ccc(cc1)Cn2c(nnc2Cl)C3CC3
|
|
545
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
546
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
547
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
548
|
|
|
549
|
CC(C)(C)c1c2c(on1)-c3ccccc3C2=O
|
|
550
|
c1cc(sc1)CCNc2ncccn2
|
|
551
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
552
|
Cc1ccc(o1)SCc2ccco2
|
|
553
|
CC1=NC(NC(=O)N1Cc2ccco2)(C(F)(F)F)C(F)(F)F
|
|
554
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
555
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
556
|
c1ccc(cc1)OCc2ccco2
|
|
557
|
Cc1conc1n2c(=O)nc3ccccc3n2
|
|
558
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
559
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
560
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
561
|
C[C@@H]1CN/C(=C/C(=O)CC(C)C)/C(=O)N1
|
|
562
|
c1cc(ncc1C#N)NCc2nccs2
|
|
563
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
564
|
c1ccc2c(c1)C=Nc3c(ncnc3O2)N4CCOCC4
|
|
565
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
566
|
c1ccc-2c(c1)Cc3c2nncc3
|
|
567
|
c1cc(ccc1Oc2nc(ns2)Cl)F
|
|
568
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
569
|
c1ccc(cc1)c2ncc(s2)c3ccno3
|
|
570
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
571
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
572
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
573
|
CC(=O)NCCc1coc2c1ccnc2
|
|
574
|
CCOC(=O)c1ccc(cc1)n2c(=O)oc(n2)C
|
|
575
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
576
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
577
|
c1c[nH]c2c1ncc(n2)Cl
|
|
578
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
579
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
580
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
581
|
Cc1nc2ccccc2c(=O)n1c3nc[nH]n3
|
|
582
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
583
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
584
|
c1(=O)c(=O)sc2nnc(n2[nH]1)C(F)(F)F
|
|
585
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
586
|
|
|
587
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
588
|
c1ccc2c(c1)c-3nncc3co2
|
|
589
|
c1ccc2c(c1)n3c(s2)nnn3
|
|
590
|
Cc1c(c(=O)on1C(=O)N(C)c2ccccn2)C(C)C
|
|
591
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
592
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
593
|
c1cc(nnc1n2cnnn2)Cl
|
|
594
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
595
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
596
|
C1CCC(CC1)C2C(C3C([NH]C2=O)SNN3)[O-]
|
|
597
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
598
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
599
|
c1ccc(cc1)c2cc3cnsc3o2
|
|
600
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
601
|
Cn1cccc1/C=C/2C(=NC(=O)N2)[O-]
|
|
602
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
603
|
COC(=O)Cc1cccnn1
|
|
604
|
Cc1c2ccn(c(=O)c2n(n1)C)CC(=O)NC3CC3
|
|
605
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
606
|
c1ccc(cc1)Oc2nc3ccc(nn3c(=O)n2)Cl
|
|
607
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
608
|
Cc1ccc2c(c1)n3c([nH+]2)NCCC3
|
|
609
|
C(#N)c1c(n2c(c(nnc2n1)C(=O)N)N)C#N
|
|
610
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
611
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
612
|
c1cc(nc(c1)F)n2c(c(cn2)n3cncn3)O
|
|
613
|
Cc1cc(no1)c2ccccc2
|
|
614
|
c1ccc2c(c1)CCc3ccccc3NC2
|
|
615
|
CC1NC(ON1)C2CNCCN2
|
|
616
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
617
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
618
|
CCC(=O)Nc1c(non1)N
|
|
619
|
Cc1ccc(cc1)NS(=O)(=O)c2ccc(o2)Br
|
|
620
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
621
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
622
|
CCCCc1ccc(cc1)On2ccc(=O)cc2
|
|
623
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
624
|
[H]/N=c/n(c(c(s1)C2=c3ccccc3=NC2=O)O)C
|
|
625
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
626
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
627
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
628
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
629
|
CN(C)C(=O)Sc1cnc2ncnn2c1
|
|
630
|
c1ccnc(c1)SCc2ccco2
|
|
631
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
632
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
633
|
|
|
634
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
635
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
636
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
637
|
Cc1cnc(o1)COc2ccccc2
|
|
638
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
639
|
c1cc(ncc1C#N)Sc2nccs2
|
|
640
|
CC(=O)c1cnc2n(c1=O)ncs2
|
|
641
|
|
|
642
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
643
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
644
|
CNc1nc(ns1)c2cccs2
|
|
645
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
646
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
647
|
Cnccs/c1=NC(=O)Nc2ccccc2
|
|
648
|
|
|
649
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
650
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
651
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
652
|
|
|
653
|
c1cc(oc1)/C=c/2c(=O)[nH]/c(=Cc3ccco3)/c(=O)[nH]2
|
|
654
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
655
|
c1ccc(cc1)NCc2ccco2
|
|
656
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
657
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
658
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
659
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
660
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
661
|
c1ccc(cc1)Oc2c(non2)N
|
|
662
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
663
|
Cc1cccc(c1)/N=C/2CNC(=NC2=O)[O-]
|
|
664
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
665
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
666
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
667
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
668
|
Cn1ccnc1Oc2ccc(cc2)Cl
|
|
669
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
670
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
671
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
672
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
673
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
674
|
c1ccn(c1)c2c[nH]c(=O)[nH]c2=O
|
|
675
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
676
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
677
|
C/C(=C/1CCOC1=O)/Nc2[n-]nc(n2)C(F)(F)F
|
|
678
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
679
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
680
|
COC(=O)c1cc2c(cccn2)oc1=O
|
|
681
|
Cc1cccc(c1)n2c3nnc(c(=O)n3nc2[O-])C(C)(C)C
|
|
682
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
683
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
684
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
685
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
686
|
Cc1c2c(on1)C=C(CC2)c3ccccc3
|
|
687
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
688
|
c1ccc2c(c1)CN(C(=C2)N)C3CCCCC3
|
|
689
|
c1ccc(cc1)C(=O)c2ncco2
|
|
690
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
691
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
692
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
693
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
694
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
695
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
696
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
697
|
C/C=C/C[C@@]1(C(=N1)C2CCCCC2)C
|
|
698
|
|
|
699
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
700
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
701
|
CC(C)(C)C1=CC=Nn2cnnc2S1
|
|
702
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
703
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
704
|
Cn1ccc(=NC(=O)c2ccccc2)cc1
|
|
705
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
706
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
707
|
c1cc(oc1)Cn2c3c(nc2Cl)CCC3
|
|
708
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
709
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
710
|
Cc1nc(no1)Cn2cccc(c2=O)C(F)(F)F
|
|
711
|
c1ccc(cc1)c2nnc3n2CCCS3
|
|
712
|
Cc1cnn(c1)C(=O)c2c(noc2C)C
|
|
713
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
714
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
715
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
716
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
717
|
CC(C)C1C(C2CC3C(CC2NN1)C4CCCCC4O3)N
|
|
718
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
719
|
Cc1nc(cs1)c2ccc3c(c2)CCN3
|
|
720
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
721
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
722
|
CN(CCn1cccn1)c2ccccc2
|
|
723
|
C1CCC(CC1)[S@@]2(=NC3C(CCCC3O)C=C2)=O
|
|
724
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
725
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
726
|
CCOC(=O)c1nccnn1
|
|
727
|
CCn1cnc2c3c(sc2c1=O)SCC(=O)N3
|
|
728
|
CC(C)NC(=O)N[C@H]1COCCO1
|
|
729
|
Cc1nc(on1)c2c(non2)N
|
|
730
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
731
|
c1cnccc1c2nnn(n2)CC#N
|
|
732
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
733
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
734
|
c1ccc2c(c1)nc3c(n2)C(=O)C(=C(C3=O)O)[O-]
|
|
735
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
736
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
737
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
738
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
739
|
|
|
740
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
741
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
742
|
C1C2C(CC3C1OCO3)N/C(=C/4C=CC=[NH+]4)/C=C2O
|
|
743
|
Cc1cc(co1)C(=O)n2ccnc2
|
|
744
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
745
|
CS(=O)(=O)N1CCN(CC1)CN2CCOC2=O
|
|
746
|
C/C=C/1C(=O)[NH]/C(=C/C2CCCCC2)/C(=O)[NH]1
|
|
747
|
|
|
748
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
749
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
750
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
751
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
752
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
753
|
CS(=O)(=O)c1cc2ccccc2oc1=O
|
|
754
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
755
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
756
|
CC(=O)c1ccc2nnnn2c1
|
|
757
|
Cc1ccccc1C=C2C(=O)NC(=O)NC2=O
|
|
758
|
Cc1[nH]c2cc(ccc2n1)F
|
|
759
|
C1CC2N(C1)CC3CC4C(CC3N=C2)OCO4
|
|
760
|
CCOC(=O)c1cnc2c(c3c(cn2c1=O)CCO3)C#N
|
|
761
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
762
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
763
|
c1ccc2c(c1)-c3c(snn3)C2=O
|
|
764
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
765
|
c1ccc-2c(c1)Cn3c2nnn3
|
|
766
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
767
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
768
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
769
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(o3)Br
|
|
770
|
c1ccc(cc1)Nc2ccccn2
|
|
771
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
772
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
773
|
Cc1c(non1)NCn2cnc3c2c(=O)n(c(=O)n3C)C
|
|
774
|
C1CCC(CC1)n2c(=O)c3c([nH]c2=O)C=CC3
|
|
775
|
|
|
776
|
CCOC(=O)/C=C/1[C@@](C2CCCCC2O1)(C)O
|
|
777
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
778
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
779
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
780
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
781
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
782
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
783
|
CC(=O)c1cc2c(cco2)nc1
|
|
784
|
Cn1cc(c(=O)n(c1=O)C)S(=O)(=O)Oc2ccccc2
|
|
785
|
c1ccc-2c(c1)-c3c2nc4ccccc4n3
|
|
786
|
CC(=O)N1CCCn2c1nnc2SC
|
|
787
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
788
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
789
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
790
|
c1ccc(cc1)/C=C/c2ccncn2
|
|
791
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
792
|
c1ccc2c(c1)CO[C@@]3(N2)c4ccccc4NC3=O
|
|
793
|
COC(=O)CC1=C(NC(=NC1)N2CCCC2)O
|
|
794
|
C1CCC2C(C1)[C@@H](N3C4CCCCC4C(=O)C3=N2)O
|
|
795
|
Cc1cnc(o1)CSc2ccccc2
|
|
796
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
797
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
798
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
799
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
800
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
801
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
802
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
803
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
804
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
805
|
c1c2cc(oc2ncc1F)CO
|
|
806
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
807
|
c1ccc(cc1)C2=Nc3ccccc3OC2
|
|
808
|
Cc1c(c(=O)cco1)OS(=O)(=O)c2ccccc2
|
|
809
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
810
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
811
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
812
|
Cn1cc(c(c1[C@@H]2CCCO2)C(=O)[O-])c3ccccc3
|
|
813
|
CC(=O)c1ccc-2c(c1)-c3c2cccc3
|
|
814
|
CCc1cnc([nH]1)NC(=O)OC(C)(C)C
|
|
815
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
816
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
817
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
818
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
819
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
820
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
821
|
c1ccc(c(c1)C(=O)c2cnoc2)O
|
|
822
|
CN1CC(=O)N=C1/N=C(/C23CC4CC(C2)CC(C4)C3)[O-]
|
|
823
|
c1ccc-2c(c1)CCc3c2nc4c(n3)c(ncn4)O
|
|
824
|
Cc1ccc(cc1)n2cnnn2
|
|
825
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
826
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
827
|
CN1C=NC2C(NCN2[C@@H]3CC[C@@H](O3)CO)[C@@H]1O
|
|
828
|
c1cc(ccc1C#N)C2=C[C@@H]3C=CSC3=N2
|
|
829
|
COC(=O)n1c(=O)c2ccccc2o1
|
|
830
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
831
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
832
|
CCOC(=O)c1c(c2c(snc2s1)C)N
|
|
833
|
CC1CCC(CC1)[C@@H]2C(=N2)C(=O)OC
|
|
834
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
835
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
836
|
CCOC1(Cc2c1cc3ccccc3n2)OCC
|
|
837
|
c1cc(c(cc1Cl)c2cc([nH]n2)C(F)(F)F)O
|
|
838
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
839
|
c1ccc2c(c1)c(co2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
840
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
841
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
842
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
843
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
844
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
845
|
c1ccc(cc1)N2CC(=NC2=O)N3CCCC3
|
|
846
|
c1cn(cn1)C(=O)n2ccnc2
|
|
847
|
c1cnnc2c1c(c(s2)C(=O)N)N
|
|
848
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
849
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
850
|
c1cc(ccc1C(=O)c2nnc(s2)Cl)Cl
|
|
851
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
852
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
853
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
854
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
855
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
856
|
|
|
857
|
c1ccc2c(c1)Nc3cc(nnc3S2)Cl
|
|
858
|
CCCNC(=O)Cc1nc[nH]n1
|
|
859
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
860
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
861
|
COC(=O)Nc1cn2ccccc2n1
|
|
862
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
863
|
Cc1cc(n(n1)C)NS(=O)(=O)c2c(n(cn2)C)Cl
|
|
864
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
865
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
866
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
867
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
868
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
869
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
870
|
CNc1c2c(c3c(n1)sc(n3)NC)n(cn2)C
|
|
871
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
872
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
873
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
874
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
875
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
876
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
877
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
878
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
879
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
880
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
881
|
CSC1NNC(S1)C2CCCS2
|
|
882
|
Cncc([nH]/c1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
883
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
884
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
885
|
C/C(=N/c1nnc2n1NC(=C)C=C([NH2+]2)[O-])/O
|
|
886
|
|
|
887
|
|
|
888
|
CCOC(=O)CN1CCC(=CC1)C
|
|
889
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
890
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
891
|
CNc1c/c(=N/S(=O)(=O)c2ccc(cc2)N)/[nH]c(n1)NC
|
|
892
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
893
|
C[S@@](=O)c1ccc(nn1)n2cccc2
|
|
894
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
895
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
896
|
C1CCC2C(C1)C(=O)N3CCCC3[C@@H](N2)O
|
|
897
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
898
|
CC1=C(C(=O)OC1(C)C)c2[n-]nnn2
|
|
899
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
900
|
C[C@@H]1C=C[C@@H]([S@@](=O)N1C(=O)CC2CCCCC2)C
|
|
901
|
c1ccc(cc1)NC(=O)n2ccnc2
|
|
902
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
903
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
904
|
c1ccc2c(c1)nc3n2C=CC3
|
|
905
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
906
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
907
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
908
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
909
|
CCn1c(c(nn1)C(=O)N)N
|
|
910
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
911
|
c1ccc2=NC3=[NH+]CCN3C(=c2c1)[O-]
|
|
912
|
c1ccc2c(c1)nc3c(n2)Sc4c(cccn4)O3
|
|
913
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
914
|
C1CN2C(NC1=[NH2+])O[C@@H]3[C@H]2C[C@@H]([C@H]3O)CO
|
|
915
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
916
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
917
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
918
|
COC1NC2CCCCC2NN1
|
|
919
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
920
|
Cc1ccccc1SCCN2CCOC2=O
|
|
921
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
922
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
923
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
924
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
925
|
|
|
926
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
927
|
c1ccc2c(c1)c(c(s2)NC(=O)O)C#N
|
|
928
|
CS(=O)(=O)c1ccc(cc1)c2nnc(s2)[C@@H]3CCC=CC3
|
|
929
|
Cc1cc2nc(nc(=O)n2o1)Oc3ccccc3
|
|
930
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
931
|
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
|
|
932
|
c1c(noc1N)C2CCCC2
|
|
933
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
934
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
935
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
936
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
937
|
c1ccc(cc1)N=c2c(=O)c3ccccc3c2=O
|
|
938
|
c1ccc(cc1)CSc2ccsc2
|
|
939
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
940
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
941
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
942
|
Cc1cnc(s1)Nc2cnc(nc2)SC
|
|
943
|
C[C@@H]1Nc2ccccc2-c3n1c4ccccc4n3
|
|
944
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
945
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
946
|
CCc1c2cc3c(cc2no1)OCCO3
|
|
947
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
948
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
949
|
CC1(C=CN(C=C1)C(=O)NC)C
|
|
950
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
951
|
CSc1nnc2n1[nH]cn2
|
|
952
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
953
|
Cn1cc(cn1)NCc2ccco2
|
|
954
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
955
|
|
|
956
|
c1ccc2c(c1)CCc3ccccc3N2
|
|
957
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
958
|
Cn1c(nnc1SC)c2cc(nc(n2)N(C)C)N(C)C
|
|
959
|
c1ccc(cc1)[C@@H]2C(=N2)c3ccccc3
|
|
960
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
961
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
962
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
963
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
964
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
965
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
966
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccccn2
|
|
967
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
968
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
969
|
c1ccc2c(c1)SC(=Cc3ccco3)S2
|
|
970
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
971
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
972
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
973
|
c1cc(oc1)c2nnc(s2)N
|
|
974
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
975
|
c1ccc(cc1)[C@@H]2C(=O)Oc3cccnc3S2
|
|
976
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
977
|
c1ccc(cc1)S[C@@H]2CCc3c2cccc3
|
|
978
|
Cc1ccc(c(c1)C)c2cc3n(c2)nc(n3N)C
|
|
979
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
980
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
981
|
c1ccc(cc1)N2Cc3ccccc3C2
|
|
982
|
c1ccc2c(c1)C[C@@H]3CC[C@@H](C3=N2)O
|
|
983
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
984
|
Cc1nc(no1)c2ccccc2
|
|
985
|
|
|
986
|
c1nc2c(c(n1)N)N=C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
|
|
987
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
988
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
989
|
c1ccc(cc1)c2c3ccccc3nnn2
|
|
990
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
991
|
Cn1c2ccccc2nc1Nc3c(=O)[nH]c(=O)[nH]n3
|
|
992
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
993
|
c1csc(n1)n2cnnn2
|
|
994
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
995
|
Cnccs/c1=NC(=O)Cc2cccs2
|
|
996
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
997
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
998
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
999
|
c1nc([nH]n1)/N=C(/NC(C(F)(F)F)C(F)(F)F)[O-]
|
|
1000
|
Cc1ccc(cc1)C#Cc2ccco2
|
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