(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
2
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
3
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
4
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
5
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
6
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
7
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
8
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
9
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
10
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
11
|
CCCCC1=N[C@@H]2[C@@H](c3c(c(ncn3)OC)S2)C4=C1CCC4
|
|
|
12
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
13
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
14
|
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
|
|
|
15
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
16
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
17
|
c1ccnc(c1)N2[C@@H](N3CCC[C@@H]3C2=O)c4cccnc4
|
|
|
18
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
19
|
Cc1cn(c(n1)c2cccnc2)c3ccc(cc3)S(=O)(=O)C
|
|
|
20
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
21
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
22
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
|
23
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
24
|
Cc1c(non1)NCn2cnc3c2c(=O)n(c(=O)n3C)C
|
|
|
25
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
26
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
27
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
|
28
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
29
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
30
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
31
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
32
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
33
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
34
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
35
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
36
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
|
37
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
38
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
39
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
40
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
41
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
|
42
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
43
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
|
44
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
45
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
46
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
47
|
C1CCC2C(C1)N/C(=C/C=CC(=O)C(=C3)C(=O)[O-])/S2
|
|
|
48
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
49
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
50
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
51
|
Cc1c(c2nc(c3c(n2n1)OCC3)C(=O)[O-])c4ccccc4
|
|
|
52
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
53
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
54
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
|
55
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
56
|
c1ccc2c(c1)Nc3cc(cnc3S2)C(=O)[O-]
|
|
|
57
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
58
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
59
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
|
60
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
61
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
62
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
63
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
64
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
65
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
66
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
67
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
68
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
69
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
70
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
71
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
72
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
73
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
|
74
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
75
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
76
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
77
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
78
|
C[C@@]1([C@@H](c2cc(ccc2OC1(C)C)C#N)Oc3ccccn3)O
|
|
|
79
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
80
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
81
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
82
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
83
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
84
|
Cc1ncc(c(n1)c2ccccc2O)c3cccnc3
|
|
|
85
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
86
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
87
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
88
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
89
|
|
|
|
90
|
CO[C@@]1(CC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
91
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
92
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
93
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
94
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
95
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
96
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
97
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
98
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
99
|
Cn1c(=O)c(c(cn1)[C@@H](C#N)c2[nH]c3ccccc3n2)Cl
|
|
|
100
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
101
|
c1cc(sc1)c2nn(c(=O)n2c3ccncc3)CCC#N
|
|
|
102
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
|
103
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
104
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
105
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
106
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
107
|
Cc1c2cc(cnc2n(n1)C)[N-]S(=O)(=O)c3cccs3
|
|
|
108
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
109
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
|
110
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
|
111
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
112
|
|
|
|
113
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
114
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
115
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
116
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
117
|
C1CCC(CC1)C2C3CCCCC3C4N2C(=O)C[C@@H]4C(=O)[O-]
|
|
|
118
|
|
|
|
119
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
|
120
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
121
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
122
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
123
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
124
|
c1ccc2c(c1)C(=O)N[C@@]2(c3[nH]ccn3)O
|
|
|
125
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
126
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
127
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
|
128
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
129
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
130
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
131
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
132
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
133
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
134
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
135
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
136
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
137
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
138
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
139
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
140
|
|
|
|
141
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
142
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
143
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
144
|
c1cc(nc(c1)F)n2c(c(cn2)n3cncn3)O
|
|
|
145
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
146
|
Cc1c(c(n[nH]1)n2cnc3ccccc3c2=O)c4ccccc4
|
|
|
147
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
148
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
149
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
150
|
c1ccc(c(c1)c2c(c(ns2)Cl)c3[nH]ncn3)Cl
|
|
|
151
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
152
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
153
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
154
|
Cc1c(sc2c1c(nnc2c3ccccc3)N4CCCC4)C#N
|
|
|
155
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
156
|
c1ccc(cc1)n2c(nnc2[O-])c3cccnc3
|
|
|
157
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
158
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
159
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
160
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
|
161
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
162
|
c1cc(oc1)c2nc(nc(=[N+]3CCOCC3)o2)N4CCOCC4
|
|
|
163
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
164
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
165
|
|
|
|
166
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
|
167
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
168
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
169
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
170
|
CCOC(=O)c1nc(nc(n1)C(=O)OCC)C(=O)OCC
|
|
|
171
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
|
172
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
173
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
|
174
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
175
|
CC(=O)/N=c/c(nn(s1)C(=O)C)C(=O)N
|
|
|
176
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
177
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
178
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
179
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
180
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
181
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
182
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
183
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
184
|
COc1ccc(cc1)C2=C(C(=O)N3CCC[C@@H]3C2)c4ccccn4
|
|
|
185
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
186
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
187
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
188
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
189
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
190
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
191
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
192
|
c1c2c(c3c(c1Br)non3)nno2
|
|
|
193
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
194
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
|
195
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
196
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
|
197
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
|
198
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
199
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
200
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
201
|
c1cc(ccc1[C@@H]2c3cc4c(cc3NC5=C2C(=O)OC5)OCO4)F
|
|
|
202
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
203
|
c1ccc(cc1)c2c(nc3c(n2)c(nnc3N)N)c4ccccc4
|
|
|
204
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
205
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
206
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
207
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
208
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
209
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
210
|
CCOC(=O)c1cnc(nc1Sc2nnc(s2)C)SC
|
|
|
211
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
212
|
CC1C2NNNN2C(=O)N(N1)C3CCCCC3
|
|
|
213
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
214
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
|
215
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
216
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
217
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
218
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
219
|
|
|
|
220
|
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
|
|
|
221
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
222
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
223
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
224
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
225
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
226
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
227
|
Cc1c(n(c-2n/c(=[NH+]/c3ccccc3)/ncc2n1)c4ccccc4)C
|
|
|
228
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
229
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
230
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
231
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
232
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
233
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
234
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
235
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
236
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
237
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
238
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
239
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
240
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
241
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
242
|
C[C@@H]1CC2=C([C@@H](Sc3ccccc3N2)c4ccccc4)C(=O)C1
|
|
|
243
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
244
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
|
245
|
c1ccc(cc1)c2c3c(csc3nnc2c4ccccc4)O
|
|
|
246
|
CCc1c(nco1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
|
247
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
248
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
249
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
250
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
251
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
252
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
253
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
254
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
255
|
|
|
|
256
|
|
|
|
257
|
CSc1c([n-]c(n1)c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
258
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
259
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
260
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
261
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
262
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
263
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
|
264
|
c1ccc(cc1)c2c(=O)cc3n(n2)c(=O)c4ccccc4s3
|
|
|
265
|
CC(C)(C)Cn1c(cc2c1nc(nc2)C#N)COc3ccncc3
|
|
|
266
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
|
267
|
Cc1ccc(c2c1cc3c(n2)OCC(=O)N(C3)C4CC4)C
|
|
|
268
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
269
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
270
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
|
271
|
|
|
|
272
|
|
|
|
273
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
274
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
275
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
276
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
277
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
278
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
279
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
280
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
281
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
282
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
283
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
284
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
285
|
CN1c2ccc(cc2-c3n[nH]c(=O)c(=O)n3CC1=O)Cl
|
|
|
286
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
287
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
288
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
289
|
Cc1[nH]c(=O)c2c(n1)c3c(s2)NC(=O)C[C@@H]3c4ccccc4
|
|
|
290
|
CC/C(=C/C1CSC2C1CCCC2)/C3CCNCC3
|
|
|
291
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
292
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
293
|
CC1C2C(NC(NN2)N3CCOCC3)N(N1)C4CCCCC4
|
|
|
294
|
|
|
|
295
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
296
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
|
297
|
CC[C@@H]1c2c(c3ccccc3oc2=O)Oc4c1c(=O)[nH]c(n4)C
|
|
|
298
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
299
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
|
300
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
301
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
302
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
303
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
|
304
|
Cc1c(nc(c(n1)C(=O)NC)NC)CCC(=O)[O-]
|
|
|
305
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
306
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
307
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
308
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
309
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
310
|
Cc1c(nc2ccccc2n1)c3c(c(ns3)N)C#N
|
|
|
311
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
312
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
313
|
c1ccc2c(c1)c(c3c(n2)C[C@@H]4CCCN3C4)C(=O)[O-]
|
|
|
314
|
Cc1cc(nc(n1)N2C=C[C@H]3[C@@H]4C[C@H]([C@@H]2C3=O)C=C4)C
|
|
|
315
|
Cc1cc(nc(n1)[N-]C2=NC(=O)C[C@@H]3N2CCNC3=O)C
|
|
|
316
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
317
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
318
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
|
319
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
320
|
Cc1nc2c(nc(=O)n(c2s1)CC(=O)N)c3cccs3
|
|
|
321
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
322
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
323
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
324
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
325
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
326
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
327
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
328
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
329
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
330
|
CCc1cc2c(cc1O)occ(c2=O)n3ccccc3=O
|
|
|
331
|
Cc1ccccc1CN(C)Cn2cnnc2C#N
|
|
|
332
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
333
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
334
|
c1ccc2c(c1)-c3nc(nn3[C@@H](N2)c4ccc(cc4)Cl)C5CC5
|
|
|
335
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
336
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
337
|
Cc1c(c(on1)C)Cc2ccc(s2)C(=O)[O-]
|
|
|
338
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
339
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
|
340
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
|
341
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
342
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
343
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
344
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
345
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
|
346
|
c1cc(ccc1C2=C(N=CC2)c3ccncc3)F
|
|
|
347
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
348
|
CC(=C1CC[C@@]2([C@@]1([C@@H](C(=O)O2)Cc3ccccn3)C)C)C
|
|
|
349
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
350
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
|
351
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
352
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
353
|
CC(C)n1c2c(cn1)c(nc(n2)c3ccccc3)c4cnn(c4)C
|
|
|
354
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
355
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
|
356
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
357
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
358
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
359
|
c1ccc(cc1)N2Cc3nc(=O)[nH]n3C2=O
|
|
|
360
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
361
|
c1cc2c(cc1C(F)(F)F)Nc3c(nnc(n3)[O-])S2
|
|
|
362
|
Cc1coc(=O)c2c1Sc3ccccc3N[C@@H]2c4ccccc4
|
|
|
363
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
364
|
CC(C)NC1=C2C(=Nc3c(ncnc3S2)OC)CC(C1)(C)C
|
|
|
365
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
|
366
|
|
|
|
367
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
368
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
369
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
370
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
371
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
372
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
373
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
374
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
375
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
376
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
377
|
CSc1c2c([o+]c(n1)c3ccccc3)CCCC2
|
|
|
378
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
379
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
380
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
381
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
|
382
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
383
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
384
|
Cc1ccc(nc1)n2cnnn2
|
|
|
385
|
c1cc(cc(c1)S(=O)(=O)/N=c/2[nH]c(c3c(n2)nc[nH]3)[O-])C#N
|
|
|
386
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
387
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
388
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
389
|
c1ccc(cc1)n2c(noc2=O)c3cccnc3
|
|
|
390
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
391
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
392
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
393
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
|
394
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
395
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
396
|
c1ccnc(c1)CCSc2nncs2
|
|
|
397
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
398
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
399
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
|
400
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
401
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
402
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
403
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
404
|
CC(=O)c1c(n[n-]n1)NC(=O)c2ccccc2
|
|
|
405
|
Cc1ccc(n1c2c(c(c(o2)c3ccco3)c4ccco4)C#N)C
|
|
|
406
|
CN(C)C1NC(=O)C(C(O1)C2CCCCC2)C3CCCCC3
|
|
|
407
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
|
408
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
|
409
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
410
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
|
411
|
C=CC[C@@H]1CC=C[C@H](N1C(=O)c2[nH]ccn2)c3ccccc3
|
|
|
412
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
413
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
414
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
|
415
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
416
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
417
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
418
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
|
419
|
CN1CC(=O)N=C1/N=C(/C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
420
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
421
|
c1cnccc1C2c3c(c(n[nH]c3=O)[O-])Nc4c2c(=O)[nH]nc4[O-]
|
|
|
422
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
|
423
|
c1c[nH]nc1c2nccs2
|
|
|
424
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
425
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
426
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
427
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
428
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
429
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
430
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
431
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
432
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
433
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
434
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
435
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
436
|
Cc1nnc(s1)SCSc2ccccn2
|
|
|
437
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
438
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
439
|
c1c(cn[nH]1)C23CC4CC(C2)CC(C4)C3
|
|
|
440
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
441
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
442
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
|
443
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
444
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
445
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
|
446
|
Cc1cc(=O)sc2c1c(nn2c3ccccc3)C
|
|
|
447
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
448
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
449
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
450
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
451
|
c1cc(ccc1c2csc3n2cnc-4ncnc34)Cl
|
|
|
452
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
|
453
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
454
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
455
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
456
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
457
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
458
|
Cc1[nH]cc([nH+]1)S(=O)(=O)[N-]c2cc(nn2C)c3ccccc3
|
|
|
459
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
|
460
|
Cc1cc(nc(n1)Sc2c(c(nc(c2F)F)F)F)C
|
|
|
461
|
|
|
|
462
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
463
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
464
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
465
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
466
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
467
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
468
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
469
|
|
|
|
470
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
|
471
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
472
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
473
|
Cc1c(c(n[nH]1)O)n2c3ccccc3c(=O)c4c2cccc4
|
|
|
474
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
475
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
|
476
|
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
|
|
|
477
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
478
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
479
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
|
480
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
481
|
Cc1c(c(n(n1)C)[C@@H](C#N)c2cccs2)S(=O)(=O)N(C)C
|
|
|
482
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
483
|
|
|
|
484
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
485
|
COC(=O)Cc1c(c(=O)n(c(=O)o1)c2ccccc2)C(=O)OC
|
|
|
486
|
C[C@@]12C[C@@]3([C@@](c4ccccc4N3)(C)O)O[C@@]1(c5ccccc5N2)C
|
|
|
487
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
488
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
489
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
490
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
491
|
|
|
|
492
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
493
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
494
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
495
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
496
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
497
|
c1ccc(cc1)C2=NCc3nncn3-c4c2cc(cc4)Cl
|
|
|
498
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
|
499
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
500
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
501
|
CN(C)S(=O)(=O)n1cnc(c1c2ccccc2)c3ccccc3
|
|
|
502
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
503
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
504
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
505
|
CSc1nc(nc(=[N+]2CCOCC2)s1)c3ccccc3
|
|
|
506
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
507
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
508
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
509
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
510
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
511
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
512
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
513
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
514
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
515
|
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
|
|
|
516
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
|
517
|
c1ccc-2c(c1)CCc3c2nc4c(n3)c(ncn4)O
|
|
|
518
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
519
|
Cc1ccc-2nc(nc2c3c1[nH]c(=O)[nH]3)N(C)C
|
|
|
520
|
|
|
|
521
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
522
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
523
|
c1cc(sc1)Sc2c(nccn2)C#N
|
|
|
524
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
525
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
526
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
527
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
|
528
|
C[C@@]1(CC(=NN2C3CCCCC3C4C2C1CCC4)C(=O)[O-])C(=O)[O-]
|
|
|
529
|
CCN(CC)c1nc(nc(n1)N(CC)CC)c2[n-]nnn2
|
|
|
530
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
531
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
532
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
533
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
|
534
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
535
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
536
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
537
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
538
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
539
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
540
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
541
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
|
542
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
|
543
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
544
|
[H]/N=c/n2c(c(cnc2nn1c3ccccc3)O)C
|
|
|
545
|
COC1=CC=C2[C@@H](N1)Sc3c(=O)[nH]c(nc3N2)N
|
|
|
546
|
c1ccc(cc1)CN2[C@@H]([C@@H]3[C@H](C2=O)OC4(O3)CCCCC4)O
|
|
|
547
|
c1ccc-2c(c1)CCCc3n2c(nn3)CC#N
|
|
|
548
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
549
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
550
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
551
|
Cc1cc(no1)[C@@H]2CCCN2c3ncccn3
|
|
|
552
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
553
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
554
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
555
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
556
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
557
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
558
|
c1ccc(cc1)c2c(nc(c(=O)n2c3ccccc3)C#N)Cl
|
|
|
559
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
560
|
Cn1c(ncn1)c2csc(n2)c3ccncc3
|
|
|
561
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
562
|
|
|
|
563
|
c1cnn(c1)CCSc2nncs2
|
|
|
564
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
565
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
566
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
567
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
568
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|