(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
|
2
|
|
|
|
3
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
4
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
5
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
6
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
7
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
8
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
9
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
10
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
11
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
12
|
CC(=O)Nc1nc2ccc(cc2s1)c3nc4ccccc4o3
|
|
|
13
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
14
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
15
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
16
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
17
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
18
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
19
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
20
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
21
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
22
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
23
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
24
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
25
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
26
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
27
|
CCCSc1ncc(cn1)CN[C@@H](CC)c2ncnn2C
|
|
|
28
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
29
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
30
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
31
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
32
|
|
|
|
33
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
34
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
35
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
36
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
37
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
38
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
39
|
c1ccc2c(c1)nc(s2)n3cnc(n3)C#N
|
|
|
40
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
41
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
42
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
43
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
44
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
45
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
46
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
47
|
|
|
|
48
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
49
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
|
50
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
51
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
52
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
53
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
54
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
55
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
56
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
57
|
|
|
|
58
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
59
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
60
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
61
|
CCOC(=O)Nc1c2c(ccn2C)n/c(=[NH+]C(=O)OCC)/s1
|
|
|
62
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
63
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
64
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
|
65
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
|
66
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
|
67
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
|
68
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
69
|
c1ccc(cc1)c2c(=O)cc3n(n2)c(=O)c4ccccc4s3
|
|
|
70
|
Cc1ccc(cc1)c2nnc(o2)c3c(cnc(n3)SC)Cl
|
|
|
71
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
72
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
|
73
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
74
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
75
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
76
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
77
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
78
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
79
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
80
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
81
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
82
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
83
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
84
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
85
|
c1ccc2c(c1)c(=O)cc(o2)n3ccc(n3)C(F)(F)F
|
|
|
86
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
87
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
|
88
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
89
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
90
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
91
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
92
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
93
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
94
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
95
|
c1cnnc(n1)c2nccnn2
|
|
|
96
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
97
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
98
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
99
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
100
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
|
101
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
102
|
CSc1nc2c(cc(s2)c3ccccc3)nn1
|
|
|
103
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
104
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
105
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
106
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
107
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
108
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
109
|
Cc1ccc(cc1)c2nn3c4c(nc5c(n4)non5)nc3s2
|
|
|
110
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
111
|
|
|
|
112
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
113
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
114
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
115
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
116
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
117
|
|
|
|
118
|
CC1NC(ON1)C2CCC3C(C2)SCN3
|
|
|
119
|
c1cc(ccc1c2ncc(s2)c3ccc(c(n3)[O-])C#N)Cl
|
|
|
120
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
121
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
|
122
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
123
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
124
|
c1ccc(cc1)n2c(=O)c(c(cn2)n3cc(nn3)CO)Cl
|
|
|
125
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
|
126
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
|
127
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
128
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
129
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
130
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
131
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
132
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
133
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
134
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
135
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
136
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
137
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
138
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
139
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
140
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
141
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
142
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
143
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
144
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
145
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
146
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
147
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
148
|
c1ccc(cc1)c2ncc(o2)c3ncco3
|
|
|
149
|
C1COCCN1C2=NN3C(=CC(=C4C=CC(=O)C=C4)N3)S2
|
|
|
150
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
151
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
152
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
153
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
154
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
155
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
|
156
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
157
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
158
|
c1ccc(cc1)c2nc(sn2)c3ccc(nn3)Cl
|
|
|
159
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
160
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
161
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
162
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
163
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
164
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
165
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
|
166
|
|
|
|
167
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
168
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
169
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
170
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
171
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
|
172
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
173
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
174
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
175
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
176
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
177
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
178
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
179
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
180
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
181
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
|
182
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
183
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
184
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
185
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
186
|
Cn1cc(cn1)c2c(c(=O)c3ccccc3o2)[O-]
|
|
|
187
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
188
|
|
|
|
189
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
190
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
|
191
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
192
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
193
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
194
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
195
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
196
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
197
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
198
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
199
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
200
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
201
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
202
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
|
203
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
204
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(OC(=C3C(=O)[O-])CO)O)O
|
|
|
205
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
206
|
c1cc2c(cc1C(F)(F)F)Nc3c(nnc(n3)[O-])S2
|
|
|
207
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
208
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
209
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
210
|
c1ccnc(c1)c2cn(cn2)c3cccc(c3)C#N
|
|
|
211
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
212
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
213
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
214
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
|
215
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
216
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
217
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
218
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
219
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
220
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
221
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
|
222
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
223
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
224
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
|
225
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
226
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
227
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
228
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
229
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
230
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
231
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
232
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
233
|
c1ccc-2c(c1)Cc3c2nc4ncnn4c3
|
|
|
234
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
235
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
236
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
237
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
|
238
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
239
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
240
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
241
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
|
242
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
243
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
244
|
|
|
|
245
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
246
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
247
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
248
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
249
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
250
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
251
|
CCOC(=O)c1ccc(cc1)n2c(=O)oc(n2)C
|
|
|
252
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
253
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
254
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
|
255
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
|
256
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
257
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
258
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
259
|
CC1(c2cc3ccccc3[o+]c2C=C4C1=Cc5ccccc5O4)C
|
|
|
260
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
261
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
262
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
263
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
264
|
Cc1cc(=O)n2c(n1)sc(n2)n3cnc(n3)C#N
|
|
|
265
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
266
|
CC(=O)c1c(nn(n1)c2ccc(cc2)F)Nc3ccc(nc3)OC
|
|
|
267
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)no2
|
|
|
268
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
|
269
|
COC(=O)c1cc2c(s1)CN(C2)c3ccccc3Cl
|
|
|
270
|
c1ccc-2c(c1)CCc3c2nc4c(n3)c(ncn4)O
|
|
|
271
|
C1CCC2C(C1)N/C(=C/C=CC(=O)C(=C3)C(=O)[O-])/S2
|
|
|
272
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
273
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
274
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
275
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
276
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
277
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
278
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
279
|
c1ccc2c(c1)c3ccc(cc3o2)n4ncnn4
|
|
|
280
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
281
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
282
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
283
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
284
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
285
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
|
286
|
|
|
|
287
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
288
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
289
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
290
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
291
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
292
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
293
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
294
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
295
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
296
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
297
|
C1CCC(CC1)C[C@@H]2C(=O)OCC(=N2)C3CCCS3
|
|
|
298
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
299
|
COC(=O)C[C@@H]1Cn2c(nc(n2)C(F)(F)F)N=C1[O-]
|
|
|
300
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
301
|
COc1ccc(cc1)n2c(=O)c(c3c(n2)NC(=O)C3)C#N
|
|
|
302
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
303
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
304
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
305
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
306
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
307
|
c1ccc(cc1)n2ncc(n2)c3[n-]nnn3
|
|
|
308
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
309
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
310
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
311
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
|
312
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
|
313
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
314
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
|
315
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
|
316
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
317
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
|
318
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
319
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
320
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
321
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
322
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
323
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
|
324
|
c1cc(ccc1c2c(c3cc(c(nc3o2)Cl)C#N)N)F
|
|
|
325
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
326
|
CCOC(=O)[C@@H]1C=N[C@@H]2C=C3C(=CN2C1=O)CCCCN3C
|
|
|
327
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
328
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
329
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
330
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
|
331
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
332
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
|
333
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
334
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
335
|
c1cc(ccc1c2cc(n(n2)C(=O)c3c(n[n-]n3)Cl)N)Cl
|
|
|
336
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
|
337
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
|
338
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
339
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
340
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
341
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
342
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
|
343
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
344
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
345
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
346
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
347
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
348
|
|
|
|
349
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
350
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
351
|
|
|
|
352
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
353
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
354
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
355
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
356
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
|
357
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
358
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
359
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
360
|
c1ccc(cc1)c2ccn3c(c2)ncc3c4cnsc4
|
|
|
361
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
362
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
363
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
364
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
365
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
366
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
367
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
368
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
369
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
370
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
371
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
372
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
373
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
|
374
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
375
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
376
|
CC1=c2c(=CC(=C3C=CC(=O)C=C3)N1)c4ccccc4oc2=O
|
|
|
377
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
|
378
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
379
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
380
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
381
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
382
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
383
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
384
|
CC1CCC2C(C1)NC(C(=O)O2)C3CCCCC3
|
|
|
385
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
|
386
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
387
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
388
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
389
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
390
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
|
391
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
392
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
393
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
|
394
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
|
395
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
396
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
|
397
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
|
398
|
CC(C)N1CNc2nc(nn2C1)C(F)(F)F
|
|
|
399
|
|
|
|
400
|
CC1(Cc2c(nc(c(n2)N)C(=O)OC)CO1)C
|
|
|
401
|
C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CCC4=CC(=CC=C3C4)OC
|
|
|
402
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
403
|
c1ccc2c(c1)c(c-3n[nH+]c4c(nc23)non4)O
|
|
|
404
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
405
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
406
|
CCc1nnc(o1)COC(=O)cc([n-]s/c2=NC)C
|
|
|
407
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
408
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
409
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
410
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
411
|
c1cc(ccc1/N=C(/Nc2[n-]nnn2)O)Cl
|
|
|
412
|
c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
|
|
|
413
|
Cn1c(=O)n2cc(ccc2n1)S(=O)(=O)N3CCCCC3
|
|
|
414
|
C[C@@]12CCC3=C([C@@H]1CC[C@@H]2O)CC4CNN(C4C3)C5CCCCC5
|
|
|
415
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
|
416
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
417
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
418
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
|
419
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
420
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
421
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
422
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
423
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
424
|
|
|
|
425
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
426
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
427
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
|
428
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
429
|
CCN(CC)c1ccc2cc3c([o+]c2c1)CCCCC3
|
|
|
430
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
431
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
432
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
433
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
434
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
435
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
436
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
437
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
438
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
439
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
440
|
c1cc(ncc1C#N)Sc2nccs2
|
|
|
441
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
442
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
443
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
444
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
445
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
|
446
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
|
447
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
448
|
Cc1c(=O)n2c(nn1)sc(n2)c3ccco3
|
|
|
449
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
450
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
451
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
452
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
453
|
COC1CCC(CC1)/C=C/C2=C(CCCO2)C(=O)[O-]
|
|
|
454
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
455
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
456
|
c1ccc(cc1)CNn2cnnn2
|
|
|
457
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
458
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
|
459
|
Cc1nc(no1)CSc2ccccc2
|
|
|
460
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
461
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
462
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
463
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
464
|
C[C@@]1(C(=Nc2ccccc2O1)O)C(=O)Nc3ccon3
|
|
|
465
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
466
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
467
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
|
468
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
469
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
470
|
c1cc(ccc1OC=CNN/C2=C/3C=CC(=O)C=C3[O-])F
|
|
|
471
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
|
472
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
473
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
474
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
475
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
476
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
477
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
478
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
479
|
Cc1nc(no1)c2ncon2
|
|
|
480
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
|
481
|
|
|
|
482
|
COC(=O)Nc1cn2ccccc2n1
|
|
|
483
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
|
484
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
485
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
486
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
|
487
|
c1ccc2c(c1)Nc3cc(cnc3S2)C(=O)[O-]
|
|
|
488
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
489
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
|
490
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
491
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
492
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
493
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
494
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
495
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
496
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
|
497
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
|
498
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
|
499
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
500
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
|
501
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
502
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
|
503
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
504
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
505
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
|
506
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
507
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
508
|
c1ccc(cc1)c2nc(on2)c3c(c4ccccc4s3)O
|
|
|
509
|
Cc1ccc(cc1)/C=C/2C(=O)C(=C(N2)C)C(=O)OC
|
|
|
510
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
511
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
512
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
513
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
514
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
515
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
|
516
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
517
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
|
518
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
|
519
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
|
520
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
521
|
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
|
|
|
522
|
Cn1c2nnc(n2nn1)c3ccccc3
|
|
|
523
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
524
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
525
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
526
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
|
527
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
528
|
|
|
|
529
|
Cc1c(c(sn1)c2ccc(cc2O)OC)c3csc(n3)C
|
|
|
530
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
531
|
Cc1cn2c(n1)Nc3c(c4c(s3)CCCC4)C2
|
|
|
532
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
533
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
534
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
535
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
|
536
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
|
537
|
CN1C(NCN1)CCC2CCCCC2
|
|
|
538
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
|
539
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
540
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
541
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
542
|
CC1(OC(=CC(=O)O1)CC(=O)c2ccco2)C
|
|
|
543
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
|
544
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
545
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
546
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
547
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
548
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
549
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
550
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
551
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
552
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
553
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
554
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
555
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
556
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
557
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
558
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
|
559
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
560
|
CCOC(=O)CCc1cn2cc(nc(c2n1)OC)Br
|
|
|
561
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
562
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
563
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
564
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
565
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
|
566
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
567
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
|
568
|
|
|
|
569
|