(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cnc(nc1c2nccs2)N
|
|
|
2
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
3
|
CC(=O)NC1NCNC(N1)N
|
|
|
4
|
c1c[nH]nc1c2nccs2
|
|
|
5
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
6
|
C([C@@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O
|
|
|
7
|
C=CCNC1CCNC(N1)N
|
|
|
8
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
9
|
C(C#N)c1nc(nc(n1)N)N
|
|
|
10
|
c1cnc(cn1)c2nnc(o2)N
|
|
|
11
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
|
12
|
c1nncn1c2[n-]c(nn2)N
|
|
|
13
|
C1NC([NH]N1)NC2=NCCO2
|
|
|
14
|
CCCCCCC1CN[NH]N1
|
|
|
15
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
16
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
17
|
C(c1c(non1)N)c2c(non2)N
|
|
|
18
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
19
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
|
20
|
c1cc(oc1)c2nc(on2)CO
|
|
|
21
|
CCOc1nc(nc(n1)N)C
|
|
|
22
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
23
|
c1(c(non1)N)c2nnc(o2)N
|
|
|
24
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
25
|
Cc1c2c(nc(n1)N)OCC2
|
|
|
26
|
CNc1c2c(nc(n1)N)non2
|
|
|
27
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
28
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
29
|
C=CCNc1nc(ns1)N
|
|
|
30
|
CC1CCC(N1N2C(NNN2)N)C
|
|
|
31
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
32
|
CN(C)C(=O)Nc1n[n-]nn1
|
|
|
33
|
Cc1[nH]nc(n1)c2ccccc2
|
|
|
34
|
c1ccc(cc1)COc2c(non2)N
|
|
|
35
|
c1nc(c2c(n1)[nH]c(n2)[O-])N
|
|
|
36
|
CCC(=O)Nc1c(non1)N
|
|
|
37
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
38
|
c1[nH]nc(n1)I
|
|
|
39
|
CCSc1ncnc(n1)N
|
|
|
40
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
41
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|
|
|
42
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
43
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
44
|
C=CCOC1CCNC(N1)N
|
|
|
45
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
46
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
47
|
c1cc(sc1)C(=O)n2cnnc2N
|
|
|
48
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
49
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
50
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
|
51
|
C1NC(C2N1CCC(=O)N2)C(=O)N
|
|
|
52
|
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)N)O)O)O
|
|
|
53
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
54
|
c1ncn(n1)Cn2cncn2
|
|
|
55
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
|
56
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
57
|
c1c([nH]nn1)SCC(=O)N
|
|
|
58
|
Cc1c(nc([nH]1)C=C)C(=O)C
|
|
|
59
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
60
|
c1cc(sc1)c2[nH]ccn2
|
|
|
61
|
Cc1nc(nc(n1)N)c2ccccc2
|
|
|
62
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
63
|
c1ccn(c1)c2c(non2)N
|
|
|
64
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
|
65
|
C=CCNc1cn[nH]c(=O)n1
|
|
|
66
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
|
67
|
c1(nc(sn1)Br)N
|
|
|
68
|
c1cc(nnc1n2cncn2)[O-]
|
|
|
69
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
70
|
COc1c2cn[nH]c2ncn1
|
|
|
71
|
C[C@@H]1NC(=C2C(=N1)NC[NH]2)C(=O)N
|
|
|
72
|
CS(=O)(=O)Nc1[n-]cnn1
|
|
|
73
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
74
|
c1cnoc1c2nnc(o2)N
|
|
|
75
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
76
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
77
|
c1cn2c(=O)cc([nH]c2n1)[O-]
|
|
|
78
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
79
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
|
80
|
CCC(=O)Nc1ncccn1
|
|
|
81
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
82
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
|
83
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
84
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
85
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
86
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
|
87
|
c1cc(oc1)CNc2[n-]nnn2
|
|
|
88
|
c1c(snn1)c2csnn2
|
|
|
89
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
90
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
91
|
CCOCC12COCN1COC2
|
|
|
92
|
c1cc(sc1)c2c(non2)N
|
|
|
93
|
CCNC(=O)c1csnn1
|
|
|
94
|
C/C(=N/c1nc(nn1C(=O)N)N)/O
|
|
|
95
|
|
|
|
96
|
CC1=C([C@@H](C1)C(=O)N)C(=O)N
|
|
|
97
|
Cc1cc(no1)c2nnc(o2)N
|
|
|
98
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
99
|
c1cc2cc(sc2nc1)CO
|
|
|
100
|
c1ccc(cc1)NCC(=O)[O-]
|
|
|
101
|
c1c2c(nc(n1)N)CCCC2=O
|
|
|
102
|
C1COC(=CO1)c2nnc(o2)N
|
|
|
103
|
c1c[nH]nc1C(=O)NC2CC2
|
|
|
104
|
Cc1cc(=O)[nH]c(n1)C2CC2
|
|
|
105
|
c1ccc(cc1)C(=O)c2c(non2)N
|
|
|
106
|
c1cc2c([nH]nc2Cl)nc1
|
|
|
107
|
C1CCN(C(=O)C1)[C@@H]2C[C@@H]([C@@H](O2)CO)O
|
|
|
108
|
c1ccc(cc1)CNc2c(non2)O
|
|
|
109
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
|
110
|
c1cn[nH]c1NC(=O)CC#N
|
|
|
111
|
c1nnc2n1NC(=O)CS2
|
|
|
112
|
c1cc2c(nc1)NCCC(=O)N2
|
|
|
113
|
c1c(cnc2c1oc(=O)[nH]2)Br
|
|
|
114
|
c1nc(c(n1CCO)N)C#N
|
|
|
115
|
CC1(OC(=C(O1)C(=O)N)C(=O)N)C
|
|
|
116
|
c1c(c2ncnc(n2n1)[O-])C#N
|
|
|
117
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
118
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
119
|
|
|
|
120
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
121
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
122
|
Cc1nc(on1)c2c(non2)N
|
|
|
123
|
c1ccn(c1)Nc2ccncc2
|
|
|
124
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
|
125
|
c1nnn(n1)C[C@@H]2CCOCO2
|
|
|
126
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
127
|
c1nc([nH]n1)c2c(non2)N
|
|
|
128
|
CN(C)[C@@H](C#N)c1ccco1
|
|
|
129
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
130
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
131
|
C1CCC(CC1)C2C(=O)OC(=O)[NH]N2
|
|
|
132
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
133
|
c1cnnc(n1)c2nccnn2
|
|
|
134
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
135
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
136
|
Cc1csc(n1)c2nnc(o2)N
|
|
|
137
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
138
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
|
139
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
140
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
141
|
CC1=C(CCO1)C(=O)NCCO
|
|
|
142
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
143
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
144
|
CCC(=O)Nc1nnn(n1)C
|
|
|
145
|
Cn1c2c([nH]c1=O)nncn2
|
|
|
146
|
c1ccc(cc1)N2CCC(=O)NCC2
|
|
|
147
|
c1cn(cn1)c2cc(=O)[nH]c(n2)N
|
|
|
148
|
C1CNNCC1CCC(=O)[O-]
|
|
|
149
|
c1([n-]nnn1)Nc2[n-]nnn2
|
|
|
150
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
|
151
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
152
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
|
153
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
154
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
|
155
|
CS(=O)(=O)Oc1ccccn1
|
|
|
156
|
C=CCNC(=O)c1ccco1
|
|
|
157
|
CS(=O)(=O)Nc1ncccn1
|
|
|
158
|
c1c[nH]nc1C2CCCCC2
|
|
|
159
|
C1CC1NC(=O)C2(CC2)C#N
|
|
|
160
|
c1(c(sc(=O)s1)C(=O)N)C(=O)N
|
|
|
161
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
162
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
|
163
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
164
|
c1ccc(cc1)C2=NCC(=O)O2
|
|
|
165
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
166
|
c1ccc2c(c1)c3c(c(=O)o2)n[nH]n3
|
|
|
167
|
C=C1C=C(C(=O)Nc2ccccc2N1)O
|
|
|
168
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
169
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
170
|
Cc1c(oc(n1)SCC(=O)[O-])C
|
|
|
171
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
172
|
CN(C)S(=O)(=O)n1cccn1
|
|
|
173
|
c1ccc2c(c1)-n3ccnc3CO2
|
|
|
174
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
175
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
|
176
|
c1c(nnn1CC(=O)[O-])CO
|
|
|
177
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
178
|
COc1c2cc[nH]c2[nH]c(=O)n1
|
|
|
179
|
C1C[C@@H](OC1)c2nnc(o2)N
|
|
|
180
|
c1cn2c(c1CO)[C@@H](CC2)O
|
|
|
181
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
182
|
c1c2c(nc(n1)N)CCOC2
|
|
|
183
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
184
|
c1cnn(c1)Cn2cc(cn2)N
|
|
|
185
|
c1ccc(cc1)Cc2cnns2
|
|
|
186
|
C1C[C@@H](Cc2c1snn2)C(=O)[O-]
|
|
|
187
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
|
188
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
189
|
CC(C)(C)c1ccc(=O)[nH]n1
|
|
|
190
|
c1cc(oc1)Cn2c(ccn2)N
|
|
|
191
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
192
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
|
193
|
[H]/N=c/c(c(n(s1)CC=C)N)C#N
|
|
|
194
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
195
|
COC(=O)N1CCCNC(=O)C1
|
|
|
196
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
197
|
CC(=O)NCC1CNCCN1
|
|
|
198
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
199
|
c1cc(oc1C(=O)[O-])S(=O)(=O)[O-]
|
|
|
200
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
201
|
Cc1nc(sn1)C2=CCCN(C2)C
|
|
|
202
|
c1coc2c1c(=O)[nH]nc2[O-]
|
|
|
203
|
CCOC(=O)N1CCNC(=O)C1
|
|
|
204
|
|
|
|
205
|
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)NC(=O)C)O
|
|
|
206
|
C1CCC2(C1)NC(CO2)(CO)CO
|
|
|
207
|
C[C@@H]1[C@@H]([C@H]([C@@H](C(=N1)CO)O)O)O
|
|
|
208
|
CSc1nnc2n1[nH]cn2
|
|
|
209
|
CC(C)(C)c1cnnc(n1)N
|
|
|
210
|
Cn1cc(cn1)c2ccncn2
|
|
|
211
|
c1c(cn[nH]1)CS(=O)(=O)N
|
|
|
212
|
c1cc2c(cc1F)O[C@@H](S2)N
|
|
|
213
|
CNCCC/C1=CC(=O)N(C)C
|
|
|
214
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
215
|
c1(c(nnc(n1)Cl)Cl)Cl
|
|
|
216
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
|
217
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
218
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
219
|
CCOC(=O)c1nccnn1
|
|
|
220
|
CC(=O)Oc1c(ccs1)N
|
|
|
221
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
222
|
C#Cc1c(cc(cn1)Cl)N
|
|
|
223
|
C1CC(C1)c2nc(no2)CO
|
|
|
224
|
c1ccc2c(c1)nc3c(noc3n2)[O-]
|
|
|
225
|
c1csc2c1ncnc2N
|
|
|
226
|
c1c(cn[nH]1)I
|
|
|
227
|
c1cc(sc1)c2ccncn2
|
|
|
228
|
C1NC([NH]N1)CCCS(=O)(=O)[O-]
|
|
|
229
|
CCOC(=O)Cn1nnnn1
|
|
|
230
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
231
|
C1CCC2C(C1)OC(=C(O2)C(=O)[O-])C(=O)[O-]
|
|
|
232
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
233
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
|
234
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
235
|
Cn1c(=O)[nH]c(n1)Br
|
|
|
236
|
Cc1cc(no1)n2c(c[nH]c2=O)C
|
|
|
237
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
238
|
CCC(=O)Oc1csnn1
|
|
|
239
|
c1cnc2c(n1)cc(s2)C(=O)[O-]
|
|
|
240
|
|
|
|
241
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
242
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
243
|
c1ccc2c(c1)c3c([nH]2)C=NCC3
|
|
|
244
|
C1Cc2c(non2)C(=O)NC1
|
|
|
245
|
Cn1c(nnn1)SCC#C
|
|
|
246
|
CCOC(=O)C1CC(=O)OC(=O)[NH]1
|
|
|
247
|
c1ccnc(c1)Nc2cccs2
|
|
|
248
|
c1cc(oc1)CNc2nnns2
|
|
|
249
|
CCOC(=O)c1c(onn1)C
|
|
|
250
|
c1cc(sc1)c2ccn[nH]2
|
|
|
251
|
c1cc2c(nc1)[C@H](C(=O)O2)C#N
|
|
|
252
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
|
253
|
C1CCN(C1)C2CC[NH2+]CC2
|
|
|
254
|
Cc1c(non1)NCn2cnnn2
|
|
|
255
|
Cc1c(nc([nH]1)c2[nH]c(c(n2)C)C)C
|
|
|
256
|
c1nnc(s1)NCCC#N
|
|
|
257
|
C1CCC(CC1)Nc2nnns2
|
|
|
258
|
c1cc(oc1)c2cc(on2)N
|
|
|
259
|
c1ccc(cc1)Nc2nccs2
|
|
|
260
|
CC1NC(ON1)C2CNCCN2
|
|
|
261
|
COc1cc(n[nH]c1=O)Cl
|
|
|
262
|
c1cnn(c1)CN2CCCC2
|
|
|
263
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
264
|
c1csc2c1[nH]c(=O)oc2=O
|
|
|
265
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
266
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
267
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
268
|
Cc1c2c(n(n1)C)SCC(=O)N2
|
|
|
269
|
c1csc2c1NC(=O)CCC2
|
|
|
270
|
c1ccc-2c(c1)CSc3c2nc(nc3)N
|
|
|
271
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
|
272
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
273
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
274
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
|
275
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
276
|
Cc1c(noc1N2CCOC2=O)C
|
|
|
277
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
278
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
|
279
|
c1c(=O)nc2n(n1)C(=O)CS2
|
|
|
280
|
c1cc(c(nc1)n2cncn2)N
|
|
|
281
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
282
|
c1cnccc1CSc2nncs2
|
|
|
283
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
284
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
|
285
|
C1C=C[C@@H]2[C@@H]1[C@@H]3C[C@H]2[C@@H](C3)O
|
|
|
286
|
c1csc(n1)n2cnnn2
|
|
|
287
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
288
|
CC(C)C(=O)Nc1nc[nH]n1
|
|
|
289
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
290
|
c1nnc(s1)SCC#N
|
|
|
291
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
|
292
|
CC(=O)c1cc2cc[nH]c2nc1
|
|
|
293
|
c1cc(sc1)c2ccon2
|
|
|
294
|
CS(=O)(=O)NCc1ccco1
|
|
|
295
|
c1ccc(cc1)Cc2nnco2
|
|
|
296
|
Cc1nc(cs1)c2ccnc(n2)N
|
|
|
297
|
C(CS(=O)(=O)N)NC(=O)N
|
|
|
298
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
|
299
|
CC1=CC(=O)N=[S@@](=O)(O1)O
|
|
|
300
|
c1con2c1nc(c2)C(=O)[O-]
|
|
|
301
|
c1cn[nH]c1c2ccsc2
|
|
|
302
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
303
|
c1cc(oc1)c2nsc(=O)o2
|
|
|
304
|
C1CCc2c([nH]nc2O)CC1
|
|
|
305
|
Cc1nc(no1)c2ncon2
|
|
|
306
|
c1cc(nc2c1NC(=O)C2)F
|
|
|
307
|
c1cocc1c2nc([nH]n2)N
|
|
|
308
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
|
309
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
310
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
|
311
|
Cn1c2c(c(=O)[nH]c1=O)non2
|
|
|
312
|
CN(C)c1nnnn1c2ncccn2
|
|
|
313
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
|
314
|
COC(=O)CCc1c[nH]cn1
|
|
|
315
|
c1nnc2n1NC(=O)CCS2
|
|
|
316
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
317
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
|
318
|
CSc1c(c([nH]n1)N)C#N
|
|
|
319
|
c1ccc(cc1)CNn2cnnn2
|
|
|
320
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
321
|
c1cc(oc(=O)c1)c2cccnc2
|
|
|
322
|
Cc1c(c(n[nH]1)C)NC(=O)C
|
|
|
323
|
C1CCN(CC1)c2[n-]nnn2
|
|
|
324
|
c1nncn1NC(=O)CC#N
|
|
|
325
|
c1ccc(cc1)Oc2c(non2)N
|
|
|
326
|
Cc1cc2n(n1)CCC(=O)N2
|
|
|
327
|
COC(=O)[C@@H](c1ccco1)N
|
|
|
328
|
COC(=O)C1=C(CCCC1)N
|
|
|
329
|
COC(=O)NS(=O)(=O)OC
|
|
|
330
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
|
331
|
Cc1cc(c(nn1)N)C(=O)N
|
|
|
332
|
CN1CNC(=O)c2c1n[nH]n2
|
|
|
333
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
|
334
|
Cc1cc([nH]n1)OCCC#N
|
|
|
335
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
336
|
CCOC(=O)c1cccnn1
|
|
|
337
|
Cn1c2c(cn1)nc3c(c2Cl)CCCC3
|
|
|
338
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
|
339
|
C1CC(CCC=C1)CCC(=O)N
|
|
|
340
|
c1c2cn[nH]c2cnc1Cl
|
|
|
341
|
c1cc2c(nc1)onc2Cl
|
|
|
342
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
343
|
Cc1c(csn1)C(=O)NC
|
|
|
344
|
|
|
|
345
|
CCC(=O)Cc1cnccn1
|
|
|
346
|
CCOC=C(c1nnco1)c2nnco2
|
|
|
347
|
CSc1nc(c(s1)C#N)N
|
|
|
348
|
c1cc(cnc1)NCc2csnn2
|
|
|
349
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
|
350
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
|
351
|
|
|
|
352
|
c1nc(nn1CC(F)(F)F)N
|
|
|
353
|
c1nc(no1)c2c(non2)N
|
|
|
354
|
CCCOn1c(nnn1)c2ccccc2
|
|
|
355
|
c1cc(cnc1)CS(=O)(=O)N
|
|
|
356
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
|
357
|
C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](N2S(=O)(=O)N1)O)O)O)O
|
|
|
358
|
COc1c2c([nH]n1)nncn2
|
|
|
359
|
|
|
|
360
|
c1ccnc(c1)[S@@](=O)c2cncs2
|
|
|
361
|
CC(=C)c1nc(co1)C(=O)[O-]
|
|
|
362
|
CC1NNC2N1CC[NH]C2=O
|
|
|
363
|
C/C(=C/C(=O)[O-])/C(F)(F)F
|
|
|
364
|
Cc1nc2c(ncnc2o1)N
|
|
|
365
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
|
366
|
c1nc(nn1CC(=O)N)C#N
|
|
|
367
|
C(CF)NC(=O)NCCF
|
|
|
368
|
C1COC(N1)NC2CCCCC2
|
|
|
369
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
370
|
CS(=O)(=O)Nc1ccccn1
|
|
|
371
|
|
|
|
372
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
373
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
|
374
|
c1c(=O)[nH]c2c(n1)CCCC2
|
|
|
375
|
c1csc(n1)C(=O)CC#N
|
|
|
376
|
CCC(=O)Oc1csc(n1)C
|
|
|
377
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
378
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
379
|
CC1=Cc2ccccc2C=C[C@@H]1O
|
|
|
380
|
C1CCC(C1)(C#N)NCCO
|
|
|
381
|
CC(C)(C#Cc1nnn(n1)C)O
|
|
|
382
|
CCOC(=O)C[C@@H](CF)O
|
|
|
383
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
384
|
c1(nnc(s1)S(=O)(=O)[NH-])N
|
|
|
385
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
386
|
CC(C)(C#CBr)O
|
|
|
387
|
CN(C)S(=O)(=O)[N-]c1nc(nc(n1)Cl)Cl
|
|
|
388
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
389
|
Cc1cc2c(cco2)c(=O)o1
|
|
|
390
|
c1ccc(cc1)C(=O)c2ncco2
|
|
|
391
|
c1cc(sc1)c2nnco2
|
|
|
392
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
|
393
|
C1[C@@H](N2C=CC=NC2=NC1=O)C(=O)[O-]
|
|
|
394
|
CC(C)(C(=O)[O-])n1cncn1
|
|
|
395
|
|
|
|
396
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
|
397
|
C(CS(=O)(=O)[O-])C1[N-]NNN1
|
|
|
398
|
c1ccnc(c1)SCc2ccco2
|
|
|
399
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
|
400
|
CC1=CC(=O)Nc2ccccc2N1
|
|
|
401
|
c1cc(sc1)Cc2[n-]nnn2
|
|
|
402
|
COC(=O)c1csc2c1nns2
|
|
|
403
|
Cc1[nH]cc(n1)Br
|
|
|
404
|
c1c2c(=O)[nH]c(nc2n[nH]1)[O-]
|
|
|
405
|
C1C2NC(=O)NC1NC(=O)N2
|
|
|
406
|
c1cc(oc1)c2cc(=O)n3cnnc3s2
|
|
|
407
|
c1(nnc(o1)[O-])C(F)(F)F
|
|
|
408
|
CCOC1NC(C(NN1)F)[O-]
|
|
|
409
|
c1ccc(cc1)Cn2cncn2
|
|
|
410
|
Cc1c(cco1)c2nnc(o2)N
|
|
|
411
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
412
|
C[C@H]([C@@H]1[C@@H](NC1=O)CC(=O)OC)O
|
|
|
413
|
c1ncn(n1)Sn2cncn2
|
|
|
414
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
|
415
|
Cc1nc(nc(n1)Cl)Cl
|
|
|
416
|
CS(=O)(=O)c1cc([nH]c1)Br
|
|
|
417
|
C1(=O)[NH]C(=O)N2N1[C@@H](NC2=O)O
|
|
|
418
|
c1ncn(n1)NCNn2cncn2
|
|
|
419
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
|
420
|
Cc1csc(n1)c2c(non2)N
|
|
|
421
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
|
422
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
423
|
c1ccc2c(c1)NCCC(=O)N2
|
|
|
424
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
|
425
|
c1ccc(cc1)Cn2ccnn2
|
|
|
426
|
|
|
|
427
|
c1cnc(cn1)NC2=NCCN2
|
|
|
428
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
429
|
c1cnn(c1)c2nncn2N
|
|
|
430
|
c1ncn(n1)CCn2cncn2
|
|
|
431
|
C#CCn1cnc2c1cccc2
|
|
|
432
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
433
|
CC1(OC[C@H]([C@@H](CO1)O)O)C
|
|
|
434
|
C([C@@H](CO)O)N1C(=O)[NH+]C(S1)N
|
|
|
435
|
CC1=N[C@H](C(=O)C1)c2ccccc2
|
|
|
436
|
Cc1nc(no1)CSc2ccccc2
|
|
|
437
|
C=CC[C@@H]1CCCCC(=O)N1
|
|
|
438
|
c1cc(oc1)C(=O)c2cccs2
|
|
|
439
|
Cc1ccc(cc1)c2cnon2
|
|
|
440
|
CCCSc1c(nns1)C
|
|
|
441
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
442
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
443
|
c1cc(oc1)CNc2nccs2
|
|
|
444
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
445
|
Cn1ccnc1NCC2CC2
|
|
|
446
|
C1=CC2=CC(=O)O[C@@H]2[C@@H]([C@@H]1O)O
|
|
|
447
|
c1cc(sc1)C(=O)n2cccn2
|
|
|
448
|
C(CO)C#CI
|
|
|
449
|
c1c(nc(cn1)Cl)n2cncn2
|
|
|
450
|
Cc1cc2nc(nc(n2n1)N)N
|
|
|
451
|
CCOC(=O)[C@@H]1COC(=N1)C
|
|
|
452
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
|
453
|
c1cc(oc1)c2csc(n2)CC#N
|
|
|
454
|
c1c(nc(o1)N)C(F)(F)F
|
|
|
455
|
Cc1nc2cc([nH]c2s1)C(=O)[O-]
|
|
|
456
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
457
|
CNC1NNNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
458
|
CCCCCS(=O)(=O)N
|
|
|
459
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
|
460
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
|
461
|
COC(=O)Cc1cccnn1
|
|
|
462
|
CCCCO[C@@H](C)n1cnnc1
|
|
|
463
|
c1cc(oc1)C(=O)c2nccs2
|
|
|
464
|
C1CCN(C1)c2c(non2)[O-]
|
|
|
465
|
Cn1c(=O)n2cnc(c2nn1)C#N
|
|
|
466
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
467
|
Cn1c(nnn1)Sc2ccncc2S(=O)(=O)N
|
|
|
468
|
CC(=O)Nc1ccc(o1)C(=O)[O-]
|
|
|
469
|
c1ccc(cc1)n2cnc(n2)[O-]
|
|
|
470
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
|
471
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
|
472
|
|
|
|
473
|
C1CN2C(CN1)CNC2CL
|
|
|
474
|
c1cnc(cn1)I
|
|
|
475
|
CC(=O)c1ccc2nnnn2c1
|
|
|
476
|
c1c2c(n[nH]c1=O)CCCC2
|
|
|
477
|
CO[C@@H]1C=C[C@@](O1)(CO)OC
|
|
|
478
|
C1C2C(NCN1)SC=C(N2)O
|
|
|
479
|
c1cc(sc1)S(=O)(=O)n2cccn2
|
|
|
480
|
CC(=O)Nc1ccccc1NC(=O)C
|
|
|
481
|
Cn1cccc1CNc2[n-]nnn2
|
|
|
482
|
c1cc([nH]c1)C(=O)c2ccco2
|
|
|
483
|
CCOC(=O)C=C1NCCN1
|
|
|
484
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
|
485
|
c1cc(cc(c1)N)c2cocn2
|
|
|
486
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
|
487
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
|
488
|
Cc1c(n2c(ncn2)nn1)[O-]
|
|
|
489
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
|
490
|
c1csc2c1CN(CC2)C(=O)N
|
|
|
491
|
CC1=CC(=O)Nc2ccccc2S1
|
|
|
492
|
c1csc2c1c(n[nH]c2=O)N
|
|
|
493
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
|
494
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
|
495
|
CN(C)C(=O)Sc1cccnc1
|
|
|
496
|
CC(C)(C)Nc1[n-]c(c(n1)C#N)C#N
|
|
|
497
|
c1csc(c1Cl)c2c[nH]c(c2C#N)N
|
|
|
498
|
C[C@@H](c1cccnc1)C(=O)[O-]
|
|
|
499
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
|
500
|
c1cc(c(nc1)c2ccco2)N
|
|
|
501
|
c1ccc(cc1)Oc2ccccn2
|
|
|
502
|
CC(=O)c1csc(n1)c2ccno2
|
|
|
503
|
|
|
|
504
|
COc1c2c(ncn1)SCC(=N2)N
|
|
|
505
|
C[C@@H]([C@H]1[C@@H](NC1=O)OC(=O)C)O
|
|
|
506
|
CCCN1CCC(C1)C(=O)C
|
|
|
507
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
|
508
|
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
|
|
|
509
|
c1ccc2c(c1)nn(n2)CC#N
|
|
|
510
|
c1ccc2c(c1)NS(=O)(=O)N2
|
|
|
511
|
CC1=CC(=NS(=O)(=O)N1)C
|
|
|
512
|
CCOC(=O)C1=NC(=O)N=C1Cn2ccnc2
|
|
|
513
|
COC(=O)NCNC(=O)OC
|
|
|
514
|
c1cc(cnc1)[C@@]2(CCC=C2)O
|
|
|
515
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
516
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
517
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
|
518
|
CNC(=O)NCNC(=O)NC
|
|
|
519
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
|
520
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
|
521
|
c1cc2cn[nH]c2c(c1)S(=O)(=O)[O-]
|
|
|
522
|
c1(nnnn1O)c2nnnn2O
|
|
|
523
|
|
|
|
524
|
Cc1cnc(o1)Cn2cccn2
|
|
|
525
|
Cc1c(=O)n2c(nn1)N(CCC2)C
|
|
|
526
|
c1ccc(cc1)NCn2cncn2
|
|
|
527
|
C1CCc2c(nc(nn2)N)C1
|
|
|
528
|
CO/C(=N/c1nncs1)/[O-]
|
|
|
529
|
C1[C@@H](C1(Cl)Cl)C(=O)[O-]
|
|
|
530
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
|
531
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
|
532
|
Cc1ccoc1NC(=O)OC
|
|
|
533
|
c1ccc(cc1)CCn2cnnn2
|
|
|
534
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
|
535
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
536
|
Cc1c(non1)N2CCOCC2
|
|
|
537
|
C(CNCC(F)(F)F)C#N
|
|
|
538
|
CNc1c2c(nccn2)ncn1
|
|
|
539
|
C1Cn2c(nnc2SC1)N
|
|
|
540
|
CCOC(=O)Cc1coc(n1)C
|
|
|
541
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
|
542
|
Cn1cnnc1Cc2ccccc2
|
|
|
543
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
|
544
|
C1C[C@@]2(C=C[C@@]3(O2)CCCO3)OC1
|
|
|
545
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
546
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
547
|
CC1([C@@H](C=NC(=O)N1)c2ccccc2)C
|
|
|
548
|
|
|
|
549
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
550
|
c1ccc(cc1)c2cnccn2
|
|
|
551
|
c1cc([nH]c1)C(=O)c2ccc[nH]2
|
|
|
552
|
|
|
|
553
|
C=CCNC(=O)n1ccnc1
|
|
|
554
|
C[C@@]1([C@@H]2CCCN2C(=O)O1)CO
|
|
|
555
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
|
556
|
C1C2C(NC(=O)[NH]1)OCCN2
|
|
|
557
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
|
558
|
CC(C)(C#CBr)N(C)C
|
|
|
559
|
c1ccc(cc1)Cn2cnnn2
|
|
|
560
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
561
|
C1CCC(CC1)[C@@H]2CCC(=O)N2
|
|
|
562
|
CC1NC(CC(=O)O1)C2CCCCC2
|
|
|
563
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
564
|
CC1=CO[C@@](CC1)(C)C(=O)[O-]
|
|
|
565
|
CS(=O)(=O)[N-]c1nncs1
|
|
|
566
|
CC(=O)NCCn1cccn1
|
|
|
567
|
CC1(c2cccnc2NC1=O)C
|
|
|
568
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
569
|
Cc1cc(no1)NS(=O)(=O)C
|
|
|
570
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
|
571
|
c1c(non1)c2c(non2)N
|
|
|
572
|
CCCc1nc2c(o1)cccn2
|