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Virtual screening for IDP 3RYK - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
2
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
3
|
|
|
|
4
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
5
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
6
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
7
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
8
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
9
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
10
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
11
|
|
|
|
12
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
13
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
14
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
15
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
16
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
|
17
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
18
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
19
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
20
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
|
21
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
22
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
23
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
24
|
C1CCC2C(C1)C3C([NH]2)C(=O)CCS3
|
|
|
25
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
26
|
|
|
|
27
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
28
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
29
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
30
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
31
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
32
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
33
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
|
34
|
Cn1ccc(n1)C#CCN2CCOCC2
|
|
|
35
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
36
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
37
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
38
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
39
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
40
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
41
|
C1CCC(CC1)NC(=O)NC2=CC=CN=CO2
|
|
|
42
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
43
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
|
44
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
45
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
46
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
47
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
48
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
49
|
CCOC(=O)CN1CCC(=CC1)C
|
|
|
50
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
51
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
52
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
53
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
|
54
|
c1ccc2c(c1)c3c([nH]2)CCC3
|
|
|
55
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
56
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
57
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
|
58
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
59
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
60
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
61
|
c1ccc(cc1)/C=C/C#Cc2ccccc2
|
|
|
62
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
63
|
CC(C)NC(=O)CSc1nnns1
|
|
|
64
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
65
|
|
|
|
66
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
67
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
68
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
69
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
|
70
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
71
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
72
|
c1ccc(cc1)n2cc3c(n2)Nc4ccccc4O3
|
|
|
73
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
74
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
75
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
|
76
|
|
|
|
77
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
78
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
79
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
80
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
|
81
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
|
82
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
83
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
|
84
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
85
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
86
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
87
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
88
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
89
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
90
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
91
|
c1ccc2c(c1)c3c([nH]2)C=NCC3
|
|
|
92
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
|
93
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
|
94
|
CCOc1nnc(s1)CN2CCOCC2
|
|
|
95
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
|
96
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
97
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
|
98
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
99
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
100
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
101
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
|
102
|
c1cc(oc1/C=C/2C(=NC(=O)N2)[O-])N3CCCC3
|
|
|
103
|
c1cnccc1c2n[nH]c(=O)s2
|
|
|
104
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
105
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
106
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
107
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
|
108
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
109
|
c1c2c([nH]c(=O)c1C#N)CCOC2
|
|
|
110
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
|
111
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
|
112
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccccn2
|
|
|
113
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
114
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
|
115
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
|
116
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
117
|
C1CCC2C(C1)-C3C(CN[NH]3)CCO2
|
|
|
118
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
119
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
120
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
121
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
|
122
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
123
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
124
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
125
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
126
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
127
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
128
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
129
|
CCOC(=O)c1nc2c(s1)NCCCC2
|
|
|
130
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
|
131
|
c1cnc(cn1)NC2=NCCN2
|
|
|
132
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
|
133
|
c1ccc2c(c1)CN3CCCC3=[NH+]2
|
|
|
134
|
|
|
|
135
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
136
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
137
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
138
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
139
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
140
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
141
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
142
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
143
|
|
|
|
144
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
145
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
146
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
147
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
148
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
149
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
|
150
|
Cn1nc(nn1)c2ccc(c(c2)N)O
|
|
|
151
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
152
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
153
|
c1ccc(cc1)CCOn2ccnc2
|
|
|
154
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
155
|
c1cc(sc1)c2[nH]ccn2
|
|
|
156
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
157
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
158
|
c1ccn(c1)C2CCN(CC2)CCC#N
|
|
|
159
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
160
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
161
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
162
|
c1ccc2c(c1)-c3c(c[nH]n3)CO2
|
|
|
163
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
|
164
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
165
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
166
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
167
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
168
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
|
169
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
170
|
c1ccnc(c1)CCSc2nncs2
|
|
|
171
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
|
172
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
173
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
|
174
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
175
|
Cc1[nH]cc(n1)c2ccccc2
|
|
|
176
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
177
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
178
|
c1cn[nH]c1c2ccsc2
|
|
|
179
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
|
180
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
181
|
Cc1c(c[nH]n1)c2nc(sn2)Nc3ccccc3
|
|
|
182
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
183
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
184
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
185
|
c1ccc(cc1)NC(=O)c2nnc(s2)C(F)(F)F
|
|
|
186
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
187
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
|
188
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
189
|
c1ccc2c(c1)c3c([nH]2)CCOC3
|
|
|
190
|
c1cc2=CC=CNc2c3c1=CC=CN3
|
|
|
191
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
192
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
193
|
Cn1c(=O)c2c(cn1)S(=O)(=O)c3ccccc3N2
|
|
|
194
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
195
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
196
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
197
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
198
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
199
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
|
200
|
CC1(C=CN(C=C1)CCC(=O)OC)C
|
|
|
201
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
202
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
|
203
|
C/C=C/[C@@H]1OC[C@H](O1)c2ccccc2
|
|
|
204
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
205
|
CCOC(=O)c1cc2c3ccccc3oc2s1
|
|
|
206
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
207
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
208
|
CNc1c/c(=N/S(=O)(=O)c2ccc(cc2)N)/[nH]c(n1)NC
|
|
|
209
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
210
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
|
211
|
CC(C)(C)OC(=O)N1CC2=C(C1)CC(C2)C(=O)[O-]
|
|
|
212
|
CCOC(=O)c1coc(n1)c2ccc(cc2)O
|
|
|
213
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
214
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
215
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
|
216
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
217
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
218
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
|
219
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
220
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
221
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
|
222
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
223
|
c1cnccc1n2cc(cn2)N
|
|
|
224
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
225
|
CCCCC#CC#CCN(C)C
|
|
|
226
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
227
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
228
|
C1CC2C(NC1)SC3CNNCC3N2
|
|
|
229
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
230
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
231
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
232
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
|
233
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
234
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
235
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
236
|
c1cc(nnc1n2cncn2)[O-]
|
|
|
237
|
C1CCC(CC1)C2CCNS2
|
|
|
238
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
239
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
|
240
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
|
241
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
242
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
243
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
244
|
Cn1cc(ccc1=O)c2nnc(o2)c3cc4c(s3)CCC4
|
|
|
245
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
246
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
247
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
248
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
249
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
|
250
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
251
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
252
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
|
253
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
|
|
|
254
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
255
|
Cncc([nH]/c1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
|
256
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
257
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
258
|
c1cnn(c1)CN2CCCC2
|
|
|
259
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
260
|
CN(C)CC#Cc1cc(cnc1)C#N
|
|
|
261
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
|
262
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
263
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
264
|
|
|
|
265
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
|
266
|
c1cnccc1[C@@H]2CCC=CC2
|
|
|
267
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
268
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
269
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
270
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
271
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
272
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
273
|
CSc1nnc2n1[nH]cn2
|
|
|
274
|
CC(C)NC(=O)N[C@H]1COCCO1
|
|
|
275
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
276
|
|
|
|
277
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
|
278
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
279
|
CC(=O)OC/C=C/c1cccnc1
|
|
|
280
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
281
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
|
282
|
C1CCC(CC1)C2NCC3N2NCN3C4CCCCC4
|
|
|
283
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
284
|
CS(=O)(=O)NCc1ccccn1
|
|
|
285
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
286
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
|
287
|
C1CCN(C1)C2CC[NH2+]CC2
|
|
|
288
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
|
289
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
290
|
c1ccc(cc1)c2ccncn2
|
|
|
291
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
292
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
293
|
c1cc(cc2c1cc[nH]2)Cl
|
|
|
294
|
Cc1cnc(o1)Cn2cccn2
|
|
|
295
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
296
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
297
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
298
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
299
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
300
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
301
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
302
|
CCCCC#C/C=C/COC(=O)C
|
|
|
303
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
|
304
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
305
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
306
|
c12c(non1)N[C@@H]3[C@@H](N2)NC(=O)N3
|
|
|
307
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
|
308
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
309
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
|
310
|
COC(=O)CC1=C(NC(=NC1)N2CCCC2)O
|
|
|
311
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
312
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
313
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
|
314
|
Cc1c(c([nH]c1C)/C=C/C(=C(C=N2)C)C)C
|
|
|
315
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
316
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
|
317
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
318
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
319
|
c1c[nH]c2c1cc3c(c2)OCO3
|
|
|
320
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
|
321
|
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
|
|
|
322
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
323
|
c1ccc2c(c1)Cc3ccccc3N2
|
|
|
324
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
325
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
326
|
c1ccc2ccc(=O)ccc2c1
|
|
|
327
|
C=CC#CCN1CCOCC1
|
|
|
328
|
Cc1[nH]c2cc(ccc2n1)F
|
|
|
329
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
|
330
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
|
331
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
332
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
333
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
334
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
335
|
c1c[nH]c2c1c(=O)c(c[nH]2)F
|
|
|
336
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
337
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
338
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
339
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
340
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
341
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
342
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
343
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
|
344
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
345
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
346
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
347
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
348
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
349
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
|
350
|
C1CCC(CC1)[C@@H]2CCC(=O)N2
|
|
|
351
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
352
|
Cc1cc2c(o1)ccc3c2non3
|
|
|
353
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
354
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
|
355
|
CCc1cnc([nH]1)NC(=O)OC(C)(C)C
|
|
|
356
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
357
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
358
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
359
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
360
|
CC1CN(C2C1-C3C(CN[NH]3)CC2)C
|
|
|
361
|
|
|
|
362
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
363
|
CC(=CCC/C(=C/Cn1ccnc1)/C)C
|
|
|
364
|
c1nc([nH]n1)/N=C(/NC(C(F)(F)F)C(F)(F)F)[O-]
|
|
|
365
|
CC1NCC2N1C=CN([C@@H]2O)C(=O)C
|
|
|
366
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
367
|
C#CCSc1nn2cnnc2o1
|
|
|
368
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
|
369
|
|
|
|
370
|
Cc1ccc2c(c1)Nc3c(c(=O)c3=O)N2
|
|
|
371
|
c1ccc(cc1)NC2=NN/C(=Nc3ccccc3)/[C@H]2Cl
|
|
|
372
|
c1cc(ncc1C#N)NCc2nccs2
|
|
|
373
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
374
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
375
|
CCCc1nc([nH]n1)c2ccccc2O
|
|
|
376
|
CN1C(=C/C(=C/2N=NC(=[NH2+])O2)/NC1=O)[O-]
|
|
|
377
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
378
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
379
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
|
380
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
|
381
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
|
382
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
383
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
384
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
|
385
|
C1CCC(CC1)NSC2CCCCC2
|
|
|
386
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
|
387
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
388
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
389
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
390
|
c1cnn(c1)Cc2cnc(s2)Cl
|
|
|
391
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
392
|
c1cc(sc1)c2ccn[nH]2
|
|
|
393
|
|
|
|
394
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
|
395
|
c1ccc2=c3ccccc3=c2c1
|
|
|
396
|
C/C=C/C[C@@]1(C(=N1)C2CCCCC2)C
|
|
|
397
|
c1ccc(cc1)NCCn2cccc2
|
|
|
398
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
|
399
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
400
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
401
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
402
|
CCC(=O)N/C=C/c1ccccc1
|
|
|
403
|
c1ccc(cc1)Nc2ccccn2
|
|
|
404
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
|
405
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
406
|
Cc1nnc(o1)Nc2ccccc2
|
|
|
407
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
408
|
c1ccc2c(c1)Nc3c(nns3)C(=O)N2
|
|
|
409
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
410
|
c1ccc(cc1)[C@@H]2CC(=O)NC2
|
|
|
411
|
Cc1ncc-2n1Cc3c2cccc3
|
|
|
412
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
413
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
414
|
c1ccc(cc1)C2=N[C@@H]3N(C2)c4ccc(cc4S3)C(=O)[O-]
|
|
|
415
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
416
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
|
417
|
CCCN(CCC)CC#CC1=CC=CCC1
|
|
|
418
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
419
|
|
|
|
420
|
CCOC(=O)c1c(c2c(snc2s1)C)N
|
|
|
421
|
|
|
|
422
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
423
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
|
424
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
425
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
426
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
427
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
428
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
429
|
Cc1ccc(cc1)NS(=O)(=O)c2ccc(o2)Br
|
|
|
430
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
|
431
|
C1CNc2c(c(=O)c2=O)NC1
|
|
|
432
|
c1cc(sc1)c2ccncn2
|
|
|
433
|
c1cnccc1c2nnn(n2)CC#N
|
|
|
434
|
c1cnn2c1[C@@H](n3c(ccn3)[C@@H]2O)O
|
|
|
435
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
|
436
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
437
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
|
438
|
CC1NC(ON1)C2CNCCN2
|
|
|
439
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
|
440
|
Cn1cc(cn1)c2ccncc2
|
|
|
441
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
|
442
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
|
443
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
|
444
|
CCOC(=O)C1CC(=O)OC(=O)[NH]1
|
|
|
445
|
c1cc2c(cc1F)c3c(cn2)nco3
|
|
|
446
|
C1CNC2=NC(=O)CCN2C1
|
|
|
447
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
448
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
|
449
|
c1coc2c1-c3c(cnc(n3)N)CC2
|
|
|
450
|
Cnccs/c1=NC(=O)Nc2ccccc2
|
|
|
451
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
452
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
453
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
454
|
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)Nc3nccs3
|
|
|
455
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4s3
|
|
|
456
|
|
|
|
457
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
458
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
459
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
460
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
461
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
462
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
463
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
464
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
465
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
466
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
467
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
468
|
c1ccc2c(c1)NC(=O)CCO2
|
|
|
469
|
Cc1cc(co1)C(=O)n2ccnc2
|
|
|
470
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
471
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
472
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
473
|
c1ccc(cc1)Cn2cncn2
|
|
|
474
|
CC(=O)NCC1CNCCN1
|
|
|
475
|
C1CCC2C(C1)CC[C@@H]3[C@@H]2NC3=O
|
|
|
476
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
477
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
478
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
479
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
480
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
481
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
482
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
|
483
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
484
|
c1cc2c(cc1O)CC(=O)O2
|
|
|
485
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
|
486
|
|
|
|
487
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
|
488
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
|
489
|
Cc1c2c([nH]n1)NC3=C([C@@H]2C)C(=O)OC3
|
|
|
490
|
C1CCC2C(C1)CC3=NC(=O)N=C23
|
|
|
491
|
c1cnnc2c1c(c(s2)C(=O)N)N
|
|
|
492
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
493
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
|
494
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
|
495
|
C1CCC2C(C1)-C3C(CN[NH]3)CCS2
|
|
|
496
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
497
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
|
498
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
|
499
|
Cc1nnc(o1)c2ccc(c(c2)N)O
|
|
|
500
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
501
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
502
|
c1cc([nH]c1)C(=O)c2ccco2
|
|
|
503
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
504
|
Cc1c(nc([nH]1)C=C)C(=O)C
|
|
|
505
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
|
506
|
|
|
|
507
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
508
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
509
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
510
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
511
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
512
|
C=CCOC1CCNC(N1)N
|
|
|
513
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
514
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
515
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
516
|
c1cc2c(c(c1)F)CC(=O)N2
|
|
|
517
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
518
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
519
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
|
520
|
COc1ccc2c(c1)C[C@@H]2O
|
|
|
521
|
CC(=O)O/C=C/c1ccccc1
|
|
|
522
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
523
|
c1ccc(cc1)OCCn2ccnc2
|
|
|
524
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
525
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
526
|
c1ccnc(c1)[S@@](=O)c2cncs2
|
|
|
527
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
|
528
|
CC1=COC(=O)c2ccccc2N1
|
|
|
529
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
530
|
CNC(=O)Oc1ccccc1
|
|
|
531
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
532
|
CCCCC#C[C@@H]1CCCO1
|
|
|
533
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
534
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
535
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
536
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
537
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
538
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
539
|
CC(C)([C@@H](Cc1ccc2c(c1O)COC2)O)O
|
|
|
540
|
Cc1c2ccn(c(=O)c2n(n1)C)CC(=O)NC3CC3
|
|
|
541
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
542
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
543
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
|
544
|
Cc1nc-2n(n1)CC(=Nc3c2cccc3)O
|
|
|
545
|
c1ccn(c1)C(=O)[C@@H]2CC(=O)OC2
|
|
|
546
|
c1ccc2c(c1)c3c(o2)CNCC3
|
|
|
547
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
548
|
c1ccc(cc1)NCC(=O)[O-]
|
|
|
549
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
550
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
|
551
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
552
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
|
553
|
Cc1cn2c(n1)-c3ccccc3C2
|
|
|
554
|
c1c(=O)[nH]c2c(n1)CCCC2
|
|
|
555
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
556
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
|
557
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
558
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
559
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
|
560
|
c1c2c(cc3c1OCO3)nn[nH]2
|
|
|
561
|
CC1=NN2c3ccccc3NC2=NC(=O)C1
|
|
|
562
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
563
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
564
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
|
565
|
|
|
|
566
|
CNc1nc(ns1)C23CC4CC(C2)CC(C4)C3
|
|
|
567
|
c1ccc(cc1)C(=O)Nn2cccc2
|
|
|
568
|