(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
2
|
c1cc(cnc1)CCNCc2cscn2
|
|
3
|
c1ccc(cc1)CNn2cnnn2
|
|
4
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
5
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
6
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
7
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
8
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
9
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
10
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
11
|
c1cc(cnc1)CNCCc2ccco2
|
|
12
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
13
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
14
|
CCc1c(nn2c1N/C(=C/3C=C([NH+]=N3)C4CC4)/C=C2O)C
|
|
15
|
CCOC(=O)N/C=CNC(=O)OCC
|
|
16
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
17
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
18
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
19
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
20
|
c1cc(oc1)CNc2[n-]nnn2
|
|
21
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
22
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
23
|
c1ccc(cc1)Nc2nnns2
|
|
24
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
25
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
26
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
27
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
28
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
29
|
|
|
30
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
31
|
c1ccc(cc1)Nc2nncs2
|
|
32
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
33
|
c1cc(oc1/C=C/2C(=NC(=O)N2)[O-])N3CCCC3
|
|
34
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
35
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
36
|
C[C@@H](n1ccnc1)OCc2ccc(cc2)F
|
|
37
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
38
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
39
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
40
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
41
|
c1cc(oc1)CNn2cnnc2
|
|
42
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
43
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
44
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
45
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
46
|
c1cc(sc1)c2[nH]ccn2
|
|
47
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
48
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
49
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
50
|
c1ccc(cc1)C2=NC(=O)CN2
|
|
51
|
CC(=O)OC1C2C3C2C4C3C41
|
|
52
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
53
|
CNc1nnc(s1)Sc2nnc(s2)NC
|
|
54
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
55
|
C=CCNC(=O)c1ccco1
|
|
56
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
57
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
58
|
C(CC#CC(=O)N)CC#CC(=O)N
|
|
59
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
60
|
CCOC(=O)N=[S@@](=O)(c1ccccc1)N
|
|
61
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
62
|
CC#CCC/C=C(/C)CCO
|
|
63
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
64
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
65
|
c1ccc(cc1)C2=NC(=O)[C@@]([N-]2)(C(F)(F)F)Nc3nccs3
|
|
66
|
CCN(CC)CC#CC1=CCCC1
|
|
67
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
68
|
Cc1c(non1)C(=O)[C@@H]2[C@H]3[C@@H]2C(=O)O[C@@H]3CO
|
|
69
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
70
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
71
|
c1cc(sc1)c2ccn[nH]2
|
|
72
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
73
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
74
|
C1[C@@H](NCC1(F)F)C(=O)N
|
|
75
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
76
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
77
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
78
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
79
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
80
|
c1ccc(cc1)C2=NC(=O)CCC2
|
|
81
|
Cc1ccc(cc1)Nc2[nH+]c(=O)cc(s2)C
|
|
82
|
c1ccc(cc1)COn2ccnc2
|
|
83
|
c1cn[nH]c1c2ccsc2
|
|
84
|
c1ccc(cc1)CCn2cnnn2
|
|
85
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
86
|
c1ccc2c(c1)N[C@@H]3C[C@H](N2)O[C@@H]3[C@H](CO)O
|
|
87
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
88
|
|
|
89
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
90
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
91
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
92
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
93
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
94
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
95
|
CCC1(C(=O)NC(=Nc2cccc(c2)OC)NC1=O)CC
|
|
96
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
97
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
98
|
CS(=O)(=O)NC[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
99
|
|
|
100
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
101
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
102
|
CCCCC#CC#CCN(C)C
|
|
103
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
104
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
105
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
106
|
|
|
107
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
108
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
109
|
Cc1cc(n(n1)CCc2nnco2)C
|
|
110
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
111
|
CNC(=O)OCC(F)(F)F
|
|
112
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
113
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
114
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
115
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
116
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
117
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
118
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
119
|
CCCCCCC1CN[NH]N1
|
|
120
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
121
|
C[C@@H]1CC[C@@H](C1)NC2=NCCO2
|
|
122
|
C(CCCC#N)CCCC#N
|
|
123
|
CCCN(CCC)CC#CC1=CC=CCC1
|
|
124
|
CS(=O)(=O)NCc1ccco1
|
|
125
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
126
|
C1C[C@@H](OC1)c2nnc(o2)N
|
|
127
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
128
|
c1ccc(cc1)CNc2cnoc2
|
|
129
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
130
|
CC(C)(C)OC(=O)N1CCC(CC1)Cc2cnc[nH]2
|
|
131
|
Cc1nnc(o1)Nc2ccccc2
|
|
132
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
133
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
134
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
135
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
136
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
137
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
138
|
CC(=O)O[C@@H]1CC([C@H](O1)OCc2ccccc2)(F)F
|
|
139
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
140
|
C1=CC=CC(C=C1)NC(=O)N
|
|
141
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
142
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
143
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
144
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
145
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
146
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
147
|
CC1(CC(=CNC(=O)C1)c2ccccc2)C
|
|
148
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
149
|
c1cnoc1c2ccsc2
|
|
150
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
151
|
C1NC2C(C(N1)N)NC(=O)C2
|
|
152
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
153
|
c1cc(oc1)CNc2nnns2
|
|
154
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
155
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
156
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
157
|
CCOC(=O)Cc1[nH]ncn1
|
|
158
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
159
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
160
|
CS(=O)(=O)NCc1ccccn1
|
|
161
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
162
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
163
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
164
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
165
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
166
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
167
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
168
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
169
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
170
|
c1ccc(cc1)c2[nH+]c(=O)cc(s2)[O-]
|
|
171
|
c1ccc2c(c1)NS(=O)(=O)N2
|
|
172
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
173
|
CC(=O)OC/C=C/c1cccnc1
|
|
174
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
175
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
176
|
CS(=O)(=O)NCCOc1ccccc1
|
|
177
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
178
|
c1cc(oc1C#CC(=O)[O-])Br
|
|
179
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
180
|
CN1CCC[C@@H](S1(=O)=O)CC2CCCCC2
|
|
181
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
182
|
Cc1cccc(c1)/N=C/2CNC(=NC2=O)[O-]
|
|
183
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
184
|
CNC(=O)N[C@@H]1CCCC=C1
|
|
185
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
186
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
187
|
CC(=O)Oc1c(ccs1)N
|
|
188
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
189
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
190
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
191
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
192
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
193
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
194
|
c1ccc(cc1)COc2c(nccn2)N
|
|
195
|
Cc1[nH]c2cc(ccc2n1)F
|
|
196
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
197
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
198
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
199
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
200
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
201
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
202
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
203
|
c1ccnc(c1)Nc2cccs2
|
|
204
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
205
|
c1ccc(cc1)c2cc(cc(=O)o2)[O-]
|
|
206
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
207
|
CC#CCCCCCCC#CC
|
|
208
|
c1coc2c1[nH]c(c2)C(=O)[O-]
|
|
209
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
210
|
c1ccc(cc1)CN2CCNS2(=O)=O
|
|
211
|
CCCCO[C@@H](C)n1cnnc1
|
|
212
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
213
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
214
|
c1con2c1nc(c2)C(=O)[O-]
|
|
215
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
216
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
217
|
CC(C)(C#CC(=O)[O-])C#CC(=O)[O-]
|
|
218
|
C1CC([NH]C1)C(=O)OCC#N
|
|
219
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
220
|
CC(=O)NCC1CNCCN1
|
|
221
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
222
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
223
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
224
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
225
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
226
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
227
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
228
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
229
|
CC1CC2CC3CCCNN3C2NN1
|
|
230
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
231
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
232
|
c1c[nH]c2c1ncc(n2)Cl
|
|
233
|
c1ccc(cc1)NC2=NCCCO2
|
|
234
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
235
|
C1C[C@@H](OC1)COCCC#N
|
|
236
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
237
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
238
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
239
|
CNC(=O)Oc1ccccc1
|
|
240
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
241
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
242
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
243
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
244
|
CC(=O)N[C@@H]1[C@@H]2CN3[C@H]1[C@H](O2)CC3
|
|
245
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
246
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
247
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
248
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
249
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
250
|
c1cc(sc1)c2nnco2
|
|
251
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
252
|
c1c[nH]nc1C(=O)NC2CC2
|
|
253
|
c1ccc(cc1)n2cnc(n2)[O-]
|
|
254
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
255
|
c1cc(sc1)c2ccno2
|
|
256
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
257
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
258
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
259
|
c1ccc(cc1)c2cncnc2
|
|
260
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
261
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
262
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
263
|
CC1NC(ON1)C2CCCS2
|
|
264
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
265
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
266
|
c1ccc(cc1)OCCS(=O)(=O)[O-]
|
|
267
|
|
|
268
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
269
|
c1ccc(cc1)/C=C/[C@@H](O)S(=O)(=O)[O-]
|
|
270
|
CN1C(=C/C(=C/2N=NC(=[NH2+])O2)/NC1=O)[O-]
|
|
271
|
CCCCc1[nH]cc([nH+]1)CO
|
|
272
|
c1cc2cc(sc2nc1)CO
|
|
273
|
CCC(=O)Cc1cnccn1
|
|
274
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
275
|
c1cc(oc1)c2cc(on2)N
|
|
276
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
277
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
278
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
279
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
280
|
CSc1c([n-]c(n1)c2ccccc2)S(=O)(=O)c3ccccc3
|
|
281
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
282
|
Cc1ccccc1SCCN2CCOC2=O
|
|
283
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
284
|
CC1C(CNO1)/C=C/C2CCON2
|
|
285
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
286
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
287
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
288
|
Cc1cc(no1)N[C@@]2(C(=O)N=C([N-]2)c3ccccc3)C(F)(F)F
|
|
289
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
290
|
Cc1nnc(s1)NC2=NCCO2
|
|
291
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
292
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
293
|
CN1C/C(=Cc2sccc2)/C(/C(=C/c3sccc3)/C1)O
|
|
294
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
295
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
296
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
297
|
C1CCN(CC1)C2NC(=O)C(NS2)N
|
|
298
|
c1ccn(c1)Nc2ccncc2
|
|
299
|
c1cnn(c1)Cc2cnc(s2)Cl
|
|
300
|
c1ccnc(c1)CCSc2nncs2
|
|
301
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
302
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
303
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
304
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
305
|
C[C@@]1(C(=Nc2ccccc2O1)O)C(=O)Nc3ccon3
|
|
306
|
C(CF)NC(=O)NCCF
|
|
307
|
CC1(OC(=CC(=O)O1)c2ccccc2)C
|
|
308
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
309
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
310
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
311
|
c1c([nH]nn1)SCC(=O)N
|
|
312
|
c1ccc(cc1)COc2c(non2)N
|
|
313
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
314
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
315
|
Cc1nc(c(n1C)O[C@@H]2CCCCO2)SCc3ccccc3
|
|
316
|
CC(=O)c1c(n[n-]n1)NC(=O)c2ccccc2
|
|
317
|
Cc1cc2nc(nc(=O)n2o1)Oc3ccccc3
|
|
318
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
319
|
c1ccc(cc1)Nc2ccccn2
|
|
320
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
321
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
322
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
323
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
324
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
325
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
326
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
327
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
328
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
329
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
330
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
331
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
332
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
333
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
334
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
335
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
336
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
337
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
338
|
c1ccc(cc1)CN2CC3(CC[C@@H]2C#N)OCCO3
|
|
339
|
c1cnnc2c1c(c(s2)C(=O)N)N
|
|
340
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
341
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
342
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
343
|
c1cc(n[nH]c1=O)NC2CC2
|
|
344
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
345
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
346
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
347
|
Cc1nc(cs1)c2ccc[nH]2
|
|
348
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
349
|
|
|
350
|
c1cc(oc1)COCCC#N
|
|
351
|
Cc1c(csn1)C(=O)NC
|
|
352
|
c1ccc(cc1)/C=C/S(=O)(=O)[O-]
|
|
353
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
354
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
355
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
356
|
c1ccnc(c1)NC(=O)c2[n-]nnn2
|
|
357
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
358
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
359
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
360
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
361
|
C1CCC(CC1)[C@@H]2CC(=O)OC2
|
|
362
|
CC1NC(CC(=O)O1)C2CCCCC2
|
|
363
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
364
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
365
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)s2
|
|
366
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
367
|
c1ccc(cc1)OCc2nnco2
|
|
368
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
369
|
Cn1c2c(cn1)nc([nH]2)c3ccccc3
|
|
370
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
371
|
CCOC(=O)Cn1nnnn1
|
|
372
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
373
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
374
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
375
|
COC(=O)c1ccc(=O)oc1
|
|
376
|
c1nnn(n1)C[C@@H]2CCOCO2
|
|
377
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
378
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
379
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
380
|
c1cc(sc1)c2ccon2
|
|
381
|
CC(C)C(=O)Nc1nc[nH]n1
|
|
382
|
C(CS(=O)(=O)N)NC(=O)N
|
|
383
|
C1CCC(CC1)SC[C@@]2(CCCC=C2)O
|
|
384
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
385
|
Cc1c(c(n[nH]1)n2ccnc2)N
|
|
386
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
387
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
388
|
c1ccc(cc1)C2=CCC(=O)O2
|
|
389
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
390
|
c1cc(cc(c1)N)c2cocn2
|
|
391
|
c1c2cc(oc2ncc1F)CO
|
|
392
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
393
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
394
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
395
|
CC[C@@H](C#CC(F)(F)F)O
|
|
396
|
c1cn[nH]c1NC(=O)CC#N
|
|
397
|
C1CCC(CC1)CC2=NCCNC2=O
|
|
398
|
|
|
399
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
400
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
401
|
Cn1cccc1CNc2[n-]nnn2
|
|
402
|
c1nncn1NC(=O)CC#N
|
|
403
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
404
|
C1CCC(CC1)/C=C/2[C@@H]3CCCC[C@@H]3C(=O)O2
|
|
405
|
c1ccn(c1)C2CCN(CC2)CCC#N
|
|
406
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
407
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
408
|
c1ccc(cc1)CCOn2ccnc2
|
|
409
|
C1CCC(CC1)CON2CCCC2C#N
|
|
410
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
411
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
412
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
413
|
COc1cc(=O)nc(o1)c2ccco2
|
|
414
|
Cc1c(nnn1c2nccs2)C(=O)[O-]
|
|
415
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
416
|
c1ccc(cc1)CNc2c(non2)O
|
|
417
|
CCn1c(c(nn1)C(=O)N)N
|
|
418
|
c1cc(sc1)c2[n-]nnn2
|
|
419
|
CCC(=O)C#Cc1ccccc1
|
|
420
|
CN(C)C1=[NH+]C=CC(=CC1)c2ccccc2
|
|
421
|
CS(=O)(=O)NCc1cccs1
|
|
422
|
C1CC2C(NC1)SC3CNNCC3N2
|
|
423
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
424
|
CCOc1cc(no1)Oc2ccccc2
|
|
425
|
c1cc(sc1)C2=CC[C@@H](C(=O)N2)C#N
|
|
426
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
427
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
428
|
c1ncn(n1)NCNn2cncn2
|
|
429
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
430
|
Cc1c(non1)c2cc3ccccn3c2
|
|
431
|
c1nncn1/N=N/n2cnnc2
|
|
432
|
CC(=O)c1ccc2nnnn2c1
|
|
433
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
434
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
435
|
COC(=O)CCc1c[nH]cn1
|
|
436
|
C1CC(C1)c2nc(no2)CO
|
|
437
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
438
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
439
|
c1cc(oc1)/C=C/2CCC(=O)O2
|
|
440
|
c1ccc(cc1)Sc2ccccn2
|
|
441
|
c1cc(sc1)[C@@H]2[C@@H](C(=NC(=O)N2)[O-])C#N
|
|
442
|
CC(C)C(=C=C(C)OC(=O)C)C
|
|
443
|
c1cc(sc1)CCc2c(cco2)C(=O)[O-]
|
|
444
|
c1ccnc(c1)SCCn2cccn2
|
|
445
|
c1ccnc(c1)c2csc(n2)[O-]
|
|
446
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
447
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
448
|
C(COCC(F)(F)F)C#N
|
|
449
|
c1ccc2c(c1)Nc3c(cc(nn3)Cl)S2
|
|
450
|
|
|
451
|
c1ccc(cc1)CCS(=O)(=O)[O-]
|
|
452
|
|
|
453
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
454
|
Cc1cccc(c1)NC2=NCCO2
|
|
455
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
456
|
CC1(OC[C@@H](O1)CC(=O)N)C
|
|
457
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
458
|
c1ccc(cc1)SCn2cncn2
|
|
459
|
CCSc1nncn1Cc2ccco2
|
|
460
|
C1CCC(C1)C(=O)Nc2[n-]nnn2
|
|
461
|
c1c(c(n[nH]1)n2cnnc2)N
|
|
462
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
463
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
464
|
c1cc(cc2c1cc[nH]2)Cl
|
|
465
|
CCCC(=O)OCOC(=O)/C=C(C)/N
|
|
466
|
c1cc2c(nc1)SCCN2
|
|
467
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
468
|
C1CCC(C1)c2nnc(o2)N
|
|
469
|
c1ccc(cc1)C=N2=CC=CC=C2
|
|
470
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
471
|
c1cc(cnc1)NCc2csnn2
|
|
472
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
473
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
474
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
475
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
476
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
477
|
c1ccc(cc1)OCCn2ccnc2
|
|
478
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
479
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
480
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
481
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
482
|
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
|
|
483
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
484
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
485
|
c1ccc(cc1)c2nccnn2
|
|
486
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
487
|
CC1CC(C/C(=[NH+]/C2CCCCC2)/O1)O
|
|
488
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
489
|
c1ccc(cc1)S[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
490
|
c1ccc(cc1)Nn2cncn2
|
|
491
|
Cc1ccc(cc1)c2cnon2
|
|
492
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
493
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
494
|
CCOC(=O)c1nccnn1
|
|
495
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
496
|
c1nncn1c2[n-]c(nn2)N
|
|
497
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
498
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
499
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
500
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
501
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
502
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
503
|
CCOC(=O)NC#CNC(=O)OCC
|
|
504
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
505
|
|
|
506
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
507
|
c1ccc(cc1)C2=CC=CC(C2(O)O)(O)O
|
|
508
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
509
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
510
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
511
|
C1NC([NH]N1)CCCS(=O)(=O)[O-]
|
|
512
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
513
|
Cc1cc(cc(=O)o1)N2CCCCC2
|
|
514
|
|
|
515
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
516
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
517
|
COC(=O)C1=C(CCCC1)N
|
|
518
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
519
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
520
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
521
|
CCC(=O)Nc1ncccn1
|
|
522
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
523
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
524
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
525
|
[H]/N=c/n(ccs1)Cc2ccccc2
|
|
526
|
Cc1nc(on1)c2c(non2)N
|
|
527
|
|
|
528
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
529
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
530
|
c1ccc(cc1)/C=C/2NC(=O)C(=O)O2
|
|
531
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
532
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
533
|
c1cnccc1c2cc3c(o2)CCNC3=O
|
|
534
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
535
|
c1nc([nH]n1)/N=C(/NC(C(F)(F)F)C(F)(F)F)[O-]
|
|
536
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
537
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
538
|
c1cc(oc1)c2cc(no2)CO
|
|
539
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
540
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
541
|
c1c[nH]c2c1sc(c2)C(=O)[O-]
|
|
542
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
543
|
c1cnn(c1)CCSc2nncs2
|
|
544
|
C[C@H]1[C@H]2C(=NC1=O)[N-]c3ccccc3S2
|
|
545
|
CCO[C@@H]1C(S(=O)(=O)N=C(O1)C2CCCCC2)(C)C
|
|
546
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
547
|
COC(=O)Nc1cn2ccccc2n1
|
|
548
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
549
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
550
|
CCC(=O)Oc1csnn1
|
|
551
|
Cc1cnc(o1)Cn2cccn2
|
|
552
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
553
|
c1ccc(cc1)C(=O)N2CCC3=CC(=O)O[C@@H]3C2
|
|
554
|
C1CCC(CC1)c2[n-]nnn2
|
|
555
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
556
|
COC(=O)C#Cc1ccccn1
|
|
557
|
CCOC(=O)C[C@@H](CF)O
|
|
558
|
Cc1c(cc2cc[nH]c2n1)C#N
|
|
559
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
560
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
561
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
562
|
c1ccc(cc1)Cc2nnco2
|
|
563
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
564
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
565
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
566
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
567
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
568
|
c1ccc(cc1)C2=CC[C@@](C=C2)(C#N)F
|
|
569
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
570
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
571
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
572
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
573
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
574
|
c1ccc(cc1)C2=NCC(=O)O2
|
|
575
|
c1ccn2c(c1)nc3c2cc(s3)C(=O)[O-]
|
|
576
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
577
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
578
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
579
|
c1ccc(cc1)CC2=CC(=O)[C@H](C=N2)[O-]
|
|
580
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
581
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
582
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
583
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
584
|
Cc1ccc(n1NC(=O)C)C
|
|
585
|
Cc1nccc(n1)Sc2ccccc2
|
|
586
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
587
|
c1cc2c(nc1)OCC(=O)N2
|
|
588
|
CC(=C)c1nc(co1)C(=O)[O-]
|
|
589
|
C1C[C@@H](OC1)C(=O)NC2CC2
|
|
590
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
591
|
Cc1ccc(o1)/C=C(C)/CO
|
|
592
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
593
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
594
|
c1c(nn2c1OCCC2)CO
|
|
595
|
|
|
596
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
597
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
598
|
Cc1nnnn1C2CCCCC2
|
|
599
|
c1c(c(=O)[nH]c(=O)n1O[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)F
|
|
600
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
601
|
CCC(=O)OC/C=C/C=C/C
|
|
602
|
Cc1c(c(sn1)C(=O)[O-])N
|
|
603
|
c1ccc(cc1)NCC(=O)[O-]
|
|
604
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
605
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
606
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
607
|
CCC[C@@H](C)[C@]1(C(=O)N/C(=Nc2ccc(cc2)F)/N=C1[O-])CC
|
|
608
|
CC1=C(OS(=O)(=O)N=C1[O-])C2CCCCC2
|
|
609
|
CCC(=O)Nc1c(non1)N
|
|
610
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
611
|
CCCCC#CC(=O)OCC
|
|
612
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
613
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
614
|
C1=C([C@H]2C(=NC1=O)C(=C(S2)SCC#N)C#N)[O-]
|
|
615
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
616
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
617
|
c1cc(oc1)c2csc(n2)CC#N
|
|
618
|
c1ccc(cc1)CNc2cnccn2
|
|
619
|
CC(=O)OC#CCCCS(=O)(=O)[O-]
|
|
620
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
621
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
622
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
623
|
CCNC(=O)C#CC(=O)NCC
|
|
624
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
625
|
c1ncn(n1)CCn2cncn2
|
|
626
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
627
|
C[C@@H]1C(=NC(=NC1=O)c2ccccc2)C(=O)[O-]
|
|
628
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
629
|
c1ccc-2c(c1)Cc3c2nncc3
|
|
630
|
c1ccc(cc1)N2CCOC2=O
|
|
631
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
632
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
633
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
634
|
c1(c(sc(=O)s1)C(=O)N)C(=O)N
|
|
635
|
CC(C)NC(=O)CSc1nnns1
|
|
636
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
637
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
638
|
CC1(C(=O)N(C(=N1)O)CC(=O)[O-])C
|
|
639
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
640
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
641
|
CC(=O)N(C)c1cccnc1
|
|
642
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
643
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
644
|
COC(=O)c1ccc(o1)C#N
|
|
645
|
Cc1[nH]nc(n1)c2ccccc2
|
|
646
|
CCSc1[nH]c(c(n1)C)CC(C)C
|
|
647
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
648
|
c1ccc(cc1)C2=C(C(=O)N3[C@@H]2CCC3)O
|
|
649
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
650
|
CN1CC(CN1)NS(=O)(=O)C2CCCS2
|
|
651
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
652
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
653
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
654
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
655
|
Cn1c(=O)cc([nH]1)c2ccccc2
|
|
656
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
657
|
CC1NC(ON1)C2CCCO2
|
|
658
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
659
|
COC(=O)Cc1cccnn1
|
|
660
|
|
|
661
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
662
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
663
|
|
|
664
|
|
|
665
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
666
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
667
|
c1c[nH]nc1C2CCCCC2
|
|
668
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
669
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
670
|
CCO[C@@H]1C[C@@H](C=CO1)c2ccccc2
|
|
671
|
C[C@@H]1COC(=N1)c2cccs2
|
|
672
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
673
|
CC(=O)c1csc(n1)c2ccno2
|
|
674
|
c1cc(sc1)c2cnco2
|
|
675
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
676
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
677
|
|
|
678
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
679
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
680
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
681
|
c1cc(ncc1C#N)NCc2nccs2
|
|
682
|
CCOC(=O)Nc1csnn1
|
|
683
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
684
|
|
|
685
|
c1ccc(cc1)N2Cn3c(=O)ccc(=O)n3C2
|
|
686
|
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])c2ccco2
|
|
687
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
688
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
689
|
Cc1cc(=O)oc2c1sc3c2cccc3
|
|
690
|
C1CCC(CC1)CC2=NCOC2=O
|
|
691
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
692
|
CC(C)NC(=O)N[C@H]1COCCO1
|
|
693
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
694
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
695
|
C1NC([NH]N1)NC2=NCCO2
|
|
696
|
c1ccc(cc1)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
697
|
c1cc(cnc1)c2nc3c4c(ncn3n2)CCC4
|
|
698
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
699
|
CCCCCC#COC(=O)OC
|
|
700
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
701
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
702
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
703
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
704
|
C1CC(CCC=C1)CCC(=O)N
|
|
705
|
CC(=O)OCc1ccccc1
|
|
706
|
CC(=O)Nn1cnc2c1cccc2
|
|
707
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
708
|
CCCCn1ccc(=N)cc1
|
|
709
|
COC1=C(COC1=O)CC2CCCCC2
|
|
710
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
711
|
Cn1c(=O)n(oc1=O)c2ccccc2
|
|
712
|
CCOC(=O)CCc1cn2cc(nc(c2n1)OC)Br
|
|
713
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
714
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
715
|
c1ccc(cc1)n2c3c(c(ncn3)[O-])nn2
|
|
716
|
c1ccc(cc1)NCS(=O)(=O)[O-]
|
|
717
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
718
|
c1ccc(cc1)N2CCC(=O)C2
|
|
719
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
720
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
721
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
722
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
723
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
724
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
725
|
CCOC(=O)C=NN=C/C1=N/NSC2CCC(CC2)C
|
|
726
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
727
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
728
|
c1cc(oc1)c2nc([nH]n2)N
|
|
729
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
730
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
731
|
CC(=O)NC1=N[C@@H](CC(=O)N1)c2ccc(cc2)OC
|
|
732
|
Cc1cc(oc1)c2ccccc2
|
|
733
|
c1ccc(cc1)/C=C/c2csnn2
|
|
734
|
c1ccc(cc1)/[NH+]=c/2
c(ss2)N
|
|
735
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
736
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
737
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
738
|
Cc1ccc(cc1)c2cnco2
|
|
739
|
CC(=O)NCc1ccccn1
|
|
740
|
c1ccc(cc1)NCc2cccs2
|
|
741
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
742
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
743
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
744
|
C/C=C/C[C@@]1(C(=N1)C2CCCCC2)C
|
|
745
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
746
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
747
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
748
|
C1CCC(CC1)Nc2nnns2
|
|
749
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
750
|
c1ccc(cc1)Cn2cnnn2
|
|
751
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
752
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
753
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
754
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
755
|
Cc1cc(no1)c2nnc(o2)N
|
|
756
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
757
|
c1ccc(cc1)[C@@H]2[C@@H](C(=O)N=C(N2)N3CCOCC3)C#N
|
|
758
|
Cc1c(nn(n1)c2ccccc2)C(=O)n3cccc3
|
|
759
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
760
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
761
|
c1cc2c(cc1Cl)N3CCS(=O)(=O)N=C3O2
|
|
762
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
763
|
C1CCC(CC1)CC2CCC[NH]2
|
|
764
|
CCOC1=CC(=O)N(C1)CC#C
|
|
765
|
CC1(OC[C@@H](O1)[C@@H](C#C)O)C
|
|
766
|
CC1(OC[C@@H](O1)/C=C/CO)C
|
|
767
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
768
|
c1cc(ccc1N)Oc2nccs2
|
|
769
|
|
|
770
|
CCOC(=O)Cc1coc(n1)C
|
|
771
|
CCO/C=C/[C@@](CNC(=O)C1CC1)(C(F)(F)F)O
|
|
772
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
773
|
[H]/N=c/nc(ss1)Oc2ccccc2
|
|
774
|
CC(=CCC/C(=C/CO)/C)C
|
|
775
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
776
|
c1cnccc1CSc2nncs2
|
|
777
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
778
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
779
|
Cc1cc(=O)c2c(o1)-c3ccccc3CC2
|
|
780
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
781
|
COC1=NS(=O)(=O)C=C(O1)C2CCCCC2
|
|
782
|
CC#CC#Cc1cccc(=O)o1
|
|
783
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
784
|
CCC/C=C/COC(=O)N(C)C
|
|
785
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
786
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
787
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
788
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
789
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
790
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
791
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
792
|
c1ccc(cc1)C2=CC(=O)OC2
|
|
793
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
794
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
795
|
Cc1cc(c(=O)n(c1)Cc2cccc(c2)F)NS(=O)(=O)C
|
|
796
|
c1cc2c(cc1Cn3cnnc3)OCO2
|
|
797
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
798
|
CC(=CCC/C(=C/Cn1ccnc1)/C)C
|
|
799
|
c1ccc(cc1)NCn2cncn2
|
|
800
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
801
|
|
|
802
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
803
|
CCOC(=O)/C=C/1CC(=O)Nc2c(non2)N1
|
|
804
|
C1CCC(CC1)NSC2CCCCC2
|
|
805
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
806
|
c1cc(nc2c1NC(=O)C2)F
|
|
807
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
808
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
809
|
COc1ccccc1C/C=C/c2cccs2
|
|
810
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
811
|
COc1ccc(cc1)c2nnc3n2NCS3
|
|
812
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
813
|
CCOC(=O)[C@H]1[C@H]2[C@@H]1OC=C2
|
|
814
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
815
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
816
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
817
|
C1CCN(C1)c2c(non2)[O-]
|
|
818
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
819
|
CN1C(NCN1)CCC2CCCCC2
|
|
820
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
821
|
|
|
822
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
823
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
824
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
825
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
826
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
827
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
828
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
829
|
CC(C)(C)OC(=O)N1CC2=C(C1)CC(C2)C(=O)[O-]
|
|
830
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
831
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|
|
832
|
c1cnoc1c2nnc(o2)N
|
|
833
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
834
|
c1ccc(cc1)NCCn2cccc2
|
|
835
|
COC(=O)NCNC(=O)OC
|
|
836
|
CCNC(=O)Oc1c2ccccc2on1
|
|
837
|
CC(=O)C(=C1Nc2ccccc2N1)C#N
|
|
838
|
c1ccc(cc1)CN2[C@@H]([C@@H]3[C@H](C2=O)OC4(O3)CCCCC4)O
|
|
839
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
840
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
841
|
c1ccn(c1)c2c(non2)N
|
|
842
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
843
|
CCC(=O)Nc1nnn(n1)C
|
|
844
|
CCOc1ccc(nn1)Sc2cc(nc(n2)SCC)C
|
|
845
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
846
|
c1ccc(cc1)Oc2ccsc2
|
|
847
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
848
|
COC1=CC(=O)O[C@@H](C1)C2CCCO2
|
|
849
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
850
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
851
|
c1ccc(cc1)[C@H]2[C@H]([C@H]3[C@@H](O2)CC(=O)O3)O
|
|
852
|
c1ccc(cc1)n2c(=O)ccs2
|
|
853
|
c1nc(nn1CCC#N)N=N=N
|
|
854
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
855
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
856
|
CCc1nnc(s1)/N=C(/[C@@H](C2CCCC2)NC(=O)C)[O-]
|
|
857
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
858
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
859
|
|
|
860
|
c1cc(oc1)/C=C/c2ccco2
|
|
861
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
862
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
863
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
864
|
|
|
865
|
c1ccc(cc1)NCc2ccco2
|
|
866
|
Cc1cc(no1)C(F)(F)F
|
|
867
|
CCCN1CCC(C1)C(=O)C
|
|
868
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
869
|
c1cc(oc(=O)c1)c2cccnc2
|
|
870
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
871
|
Cc1nc(no1)c2cccs2
|
|
872
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
873
|
CCc1c(nco1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
874
|
COc1cc(ncn1)N2CCNC(=O)C2
|
|
875
|
CC1=NN2c3ccccc3NC2=NC(=O)C1
|
|
876
|
CCOC(=O)N1CCNC(=O)C1
|
|
877
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
878
|
CS(=O)(=O)Nc1ncccn1
|
|
879
|
c1cc(oc1)c2nc(on2)CO
|
|
880
|
c1cc(ccc1Oc2nc(ns2)Cl)F
|
|
881
|
CC(=O)O/C=C/CC(=O)OC
|
|
882
|
Cc1nnc(o1)CSc2ccccn2
|
|
883
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
884
|
c1ccc(cc1)[C@@H]2C(=N2)c3ccccc3
|
|
885
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
886
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
887
|
c1ccc(cc1)CNc2ncco2
|
|
888
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
889
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
890
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
891
|
CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-]
|
|
892
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
893
|
C(CNCC(F)(F)F)C#N
|
|
894
|
C#CCOc1ccc(cc1)F
|
|
895
|
CCS(=O)(=O)NCCn1cccn1
|
|
896
|
c1nc(nn1CC(=O)N)C#N
|
|
897
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
898
|
C1CCO[C@@H](C1)OC2=CCC=CC2
|
|
899
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
900
|
CCC/C=C/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1
|
|
901
|
c1cc(cnc1)C(=O)c2ccco2
|
|
902
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
903
|
C1COC(=CO1)c2nnc(o2)N
|
|
904
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
905
|
c1cnc(cn1)NC2=NCCN2
|
|
906
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2c(cc(n2)C)C
|
|
907
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
908
|
C=CCOCCOCCC#N
|
|
909
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
910
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
911
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
912
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
913
|
C[C@@H](C(=O)N1CCCS1(=O)=O)Oc2ccc(cc2)C#N
|
|
914
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
915
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
916
|
CC1(C(=NC(=O)O1)c2ccc(cc2)F)C
|
|
917
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
918
|
CC1CCC(CC1)N=S=O
|
|
919
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
920
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
921
|
Cc1nccn1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3
|
|
922
|
C1CC(OC1)CNC2=NCCO2
|
|
923
|
Cc1cc(no1)CSc2nncs2
|
|
924
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
925
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
926
|
CCOC(=O)CCC1NC(C(C2N1NNN2)C)C(=O)OCC
|
|
927
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
928
|
CC1=CC(=O)O[C@@H]1Cc2ccncc2
|
|
929
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
930
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
931
|
c1ccc(cc1)S[C@@H]2[C@@H]3C=CC[C@@H]3C2=O
|
|
932
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
933
|
c1c(noc1N)C2CCCC2
|
|
934
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
935
|
CC12C(NC(=O)N1)NC(=O)N2
|
|
936
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
937
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
938
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
939
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
940
|
CC1C2NNNN2C(=O)N(N1)C3CCCCC3
|
|
941
|
Cc1nc2c(ncnc2o1)N
|
|
942
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
943
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
944
|
c1ccc(cc1)SCN2CCOCC2
|
|
945
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
946
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
947
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
948
|
c1ccc(cc1)Sn2c3ccccc3nn2
|
|
949
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
950
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
951
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
952
|
C#CCSc1nn2cnnc2o1
|
|
953
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
954
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
955
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
956
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
957
|
CC1(C=CN(C=C1)C(=O)NC)C
|
|
958
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
959
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
960
|
c1csc2c1sc(c2)C(=O)[O-]
|
|
961
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
962
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
963
|
c1ccc(cc1)NC(=O)[C@H]2C(=O)COC2=O
|
|
964
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
965
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
966
|
C[C@@H](c1cccs1)NC2=NC(=O)CN2C
|
|
967
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
968
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
969
|
CCC(CC)COC=C(CC)CC
|
|
970
|
CC(=O)O/C=C/c1ccccc1
|
|
971
|
CC(C)(C)OC(=O)n1cc2c(c1)C(=O)OCC2
|
|
972
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
973
|
[H]/N=C/1NC(N(S1)CC2CCCCC2)C3CCCCC3
|
|
974
|
CC(=O)Nc1nc(sn1)Cl
|
|
975
|
c1ccc(cc1)c2cncs2
|
|
976
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
977
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
978
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
979
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
980
|
c1ccc(cc1)S(=O)(=O)C2=Cc3ccccc3C2
|
|
981
|
c12c(non1)N[C@@H]3[C@@H](N2)NC(=O)N3
|
|
982
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
983
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
984
|
C(C(F)(F)F)OSOCC(F)(F)F
|
|
985
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
986
|
c1ccc(cc1)[C@@H]2COC(=O)CN2
|
|
987
|
C1CC2(CC2)[C@@H]3[C@@H]1NC(=O)C3
|
|
988
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
989
|
|
|
990
|
Cn1cccc1CCn2ccnc2
|
|
991
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
992
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
993
|
c1ccc(cc1)C2OCCO2
|
|
994
|
C/C(=C/1CCOC1=O)/Nc2[n-]nc(n2)C(F)(F)F
|
|
995
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
996
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
997
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
998
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
999
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
1000
|
CCCc1nncn1NC(=O)OCC
|
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