(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
2
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
3
|
|
|
4
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
5
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
6
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
7
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
8
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
9
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
10
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
11
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
12
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
13
|
|
|
14
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
15
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
16
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
17
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
18
|
CN1CC2CCCCC2C1C3NC(NC(N3)F)N
|
|
19
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
20
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
21
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
22
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
23
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
24
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
25
|
COc1ccc(cc1)C2=NCSc3n2ncn3
|
|
26
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
27
|
C1CCC2C(C1)-C3CCCCC3[C@H]4[C@@H]2CC(=O)O[C@@H]4C(=O)[O-]
|
|
28
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
29
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
30
|
Cc1c2c(cc([o+]1)c3ccccc3)CCC2
|
|
31
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
32
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
33
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
34
|
|
|
35
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
36
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
37
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
38
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
39
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
40
|
C[C@@H]1C(=NC(=NC1=O)c2ccccc2)C(=O)[O-]
|
|
41
|
C[C@@]1(CCC=C1CC(=O)[O-])c2ccccc2
|
|
42
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
43
|
Cn1c(=O)c(c(cn1)[C@@H](C#N)c2[nH]c3ccccc3n2)Cl
|
|
44
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
45
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
46
|
Cc1ccccc1CN(C)Cn2cnnc2C#N
|
|
47
|
CN1CCN=C(C=C1c2ccccc2O)C(=O)[O-]
|
|
48
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
49
|
COC(=O)c1cccc2n1ncn2
|
|
50
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
51
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
52
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
53
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
54
|
c1ccc(cc1)S(=O)(=O)[N-]c2ncccn2
|
|
55
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
56
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
57
|
C[C@@]1(CC(=NN2C3CCCCC3C4C2C1CCC4)C(=O)[O-])C(=O)[O-]
|
|
58
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
59
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
60
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
61
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
62
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
63
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
64
|
CCN1CNNC1C2C3CCCCC3SN2
|
|
65
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
66
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
67
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
68
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
69
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
70
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
71
|
c1ccc(cc1)Nn2cncn2
|
|
72
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
73
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
74
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
75
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
76
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
77
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
78
|
Cc1c(sc(n1)C)c2ccnc(n2)N
|
|
79
|
C1CCC2C(C1)C(N3C2SCC3)C4NC(NC(N4)F)F
|
|
80
|
Cc1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3CO
|
|
81
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
82
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
83
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
84
|
CN1C(=O)C(C(CN1)SC2NC3CCCCC3S2)CL
|
|
85
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
86
|
c1ccc(cc1)/[NH+]=c/2cc(nc3n2cccc3)Cl
|
|
87
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
88
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
89
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
90
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
91
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
92
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
93
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
94
|
Cc1cc(n(n1)c2[n-]nnn2)C
|
|
95
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
96
|
Cc1nc(no1)c2cccc(c2)S(=O)(=O)NCC(=O)[O-]
|
|
97
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
98
|
c1ccc(cc1)c2ccccn2
|
|
99
|
c1ccn(c1)c2ccc(cc2)SCC(=O)[O-]
|
|
100
|
Cn1c2c(cn1)[C@@H](CC(=N2)O)C3=Cc4ccccc4OC3
|
|
101
|
c1ccc(cc1)c2cc3cnsc3o2
|
|
102
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
103
|
c1cc(sc1)CCc2c(cco2)C(=O)[O-]
|
|
104
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
105
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
106
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
107
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
108
|
Cc1cc(n(n1)Cn2ccccc2=O)C
|
|
109
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
110
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
111
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
112
|
c1ccc(cc1)c2ccncn2
|
|
113
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
114
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
115
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
116
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
117
|
Cc1c(snn1)C(=O)N=[S@](=O)(C)c2ccccc2
|
|
118
|
Cn1c2c(cn1)[C@@H](CCC2)Nc3c(cccn3)C#N
|
|
119
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
120
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
121
|
c1ccc(cc1)[C@@H]2CCCC=CO2
|
|
122
|
COC1CCC(CC1)C2=NS(=O)(=O)N=C(O2)OC
|
|
123
|
CC1(OC(=CC(=O)O1)c2ccccc2)C
|
|
124
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
125
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
126
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
127
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
128
|
|
|
129
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
130
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
131
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
132
|
Cc1cc(ncc1[C@@H](CC(=O)N)n2cccc2)C
|
|
133
|
Cc1nc(c(o1)Sc2ccc(cc2)Cl)C#N
|
|
134
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
135
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
136
|
c1cnc(nc1c2nccs2)N
|
|
137
|
Cc1cnc(nc1c2ncnn2C)N
|
|
138
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
139
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
140
|
|
|
141
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
142
|
Cn1c(nnn1)Sc2cccc(c2C#N)F
|
|
143
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
144
|
Cc1ccc(cc1)S(=O)(=O)n2c(nnn2)[O-]
|
|
145
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
146
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
147
|
Cc1cc(nn2c1nnc2)n3ccnc3
|
|
148
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
149
|
[H]/N=c/n(nc(s1)C(=O)C)c2ccccc2
|
|
150
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
151
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
152
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
153
|
Cc1c(c(on1)N)Sc2ccc(cc2)Br
|
|
154
|
c1ccc(cc1)c2[nH+]c(=O)cc(s2)[O-]
|
|
155
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
156
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
157
|
c1ccc2c(c1)c(sn2)N3CCCCCC3
|
|
158
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
159
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
160
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
161
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
162
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
163
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
164
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
165
|
c1ccnc(c1)Nc2cccs2
|
|
166
|
Cc1cc(c2cccc(c2n1)O)n3cccn3
|
|
167
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
168
|
CSc1c2ccccc2nnn1
|
|
169
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
170
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
171
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
172
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
173
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
174
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
175
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
176
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
177
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
178
|
CC(C)(C)OC(=O)n1cc2c(c1)CC(C2)C(=O)[O-]
|
|
179
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
180
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
181
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
182
|
Cc1c-2c(on1)CCc3c2n(nc3C(=O)[O-])C
|
|
183
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
184
|
C1CN2C=Nc3c(c(no3)C(=O)[O-])C2=N1
|
|
185
|
Cc1cc(n2c(n1)nnn2)c3ccccc3
|
|
186
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
187
|
Cn1cc(ccc1=O)c2c(cccn2)Cl
|
|
188
|
CC1(C=C(Oc2ccccc2O1)S(=O)(=O)c3ccccc3)C
|
|
189
|
c1ccc2c(c1)nnn2c3ccc4nnnn4n3
|
|
190
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
191
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
192
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
193
|
CCn1cncc1c2nnc3n2cccc3Cl
|
|
194
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
195
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
196
|
CN(C)c1nnnn1c2ncccn2
|
|
197
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
198
|
Cc1nc(on1)CN2CCSc3c2cccc3
|
|
199
|
C[C@@H](c1cccs1)NC2=NC(=O)CN2C
|
|
200
|
c1ccc(cc1)C2=NS(=O)(=O)Nc3c2cccc3
|
|
201
|
CC1(C(=NC(=O)O1)c2ccc(cc2)F)C
|
|
202
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
203
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
204
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
205
|
[H]/N=C/[C@@H](c2c(nc3ccccc3n2)Sc4ccccc4N1)C#N
|
|
206
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
207
|
Cn1c2c(cccn2)nc(c1=O)[NH+]3CCC[C@@H]3C(=O)[O-]
|
|
208
|
c1cc(sc1)C(=O)C[C@@]2(NCCO2)C(F)(F)F
|
|
209
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
210
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
211
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
212
|
COc1nc(nc(n1)OC)C(=O)c2ccccc2
|
|
213
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
214
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
215
|
c1ccc(cc1)C2=C(C(=O)N3[C@@H]2CCC3)O
|
|
216
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
217
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
218
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
219
|
|
|
220
|
|
|
221
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
222
|
Cn1c(=O)c(c(cn1)Cl)[C@@H](C#N)c2nc3ccccc3s2
|
|
223
|
CC/C(=C/C1CSC2C1CCCC2)/C3CCNCC3
|
|
224
|
Cc1csc(n1)N2CCc3c2cccc3
|
|
225
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
226
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
227
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
228
|
C1CCN(C1)c2c(non2)[O-]
|
|
229
|
CC(=O)c1csc(n1)c2ccno2
|
|
230
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
231
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
232
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
233
|
c1ccc2c(c1)c(=O)c3=c(c2=O)sc(c(s3)C#N)C#N
|
|
234
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
235
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
236
|
Cc1c2c(nc(oc2=O)c3ccccc3Cl)on1
|
|
237
|
c1ccc(cc1)COc2c(non2)N
|
|
238
|
c1ccc(c(c1)NC(=O)[C@@H]2CC(=O)N=C3[C@@H]2C(=O)CCC3)F
|
|
239
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
240
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
241
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
242
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
243
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
244
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
245
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
246
|
CC[C@@H]1c2c(c3ccccc3oc2=O)Oc4c1c(=O)[nH]c(n4)C
|
|
247
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
248
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
249
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
250
|
COc1cccc(n1)[C@H]2CCC(=O)NC2
|
|
251
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
252
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
253
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
254
|
c1ccc(cc1)OCCn2ccnc2
|
|
255
|
C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3CC(C(C(=O)O3)CO)OC
|
|
256
|
c1ccc(cc1)C#CCS(=O)(=O)[O-]
|
|
257
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
258
|
c1cnn(c1)CCSc2nncs2
|
|
259
|
c1ccc(cc1)c2cccnn2
|
|
260
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
261
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
262
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
263
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
264
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
265
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
266
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
267
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
268
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
269
|
c1ccc2c(c1)C=C[C@H]3N2C[C@@H]4[C@@H]3[C@H]5CO[C@@H](C4=O)O5
|
|
270
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
271
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
272
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
273
|
|
|
274
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
275
|
Cc1c(c(no1)c2ccccc2)c3ccn[nH]3
|
|
276
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
277
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
278
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
279
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
280
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
281
|
c1ccc(cc1)CNn2cnnn2
|
|
282
|
CCOC(=O)c1c-2c(c(=O)oc1N)C(=O)c3c2cccc3
|
|
283
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
284
|
c1ccc(cc1)N2Cc3ccccc3C2
|
|
285
|
COC1CC2C(CC1OC)-C3CCCC4C3N(CC4)CC2
|
|
286
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
287
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
288
|
c1ccc(cc1)C2=NCCNC(=O)C2
|
|
289
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
290
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
291
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
292
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
293
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
294
|
c1ccc(cc1)C2=N[C@@H]3CCCC[C@@H]3NC=C2
|
|
295
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
296
|
c1ccc2c(c1)C(c3ccccc3O2)c4nnc(o4)[O-]
|
|
297
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
298
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
299
|
Cc1c(sc2n1cc(c2)c3ccccc3)C
|
|
300
|
Cc1ccc(cc1)c2cc(=O)cc(s2)Cl
|
|
301
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
302
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
303
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
304
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
305
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
306
|
CC1(OC(=O)C(=c2c3cccc4c3c([nH]2)ccc4)C(=O)O1)C
|
|
307
|
c1ccc-2c(c1)CC(=O)n3c2nc4c3cccc4
|
|
308
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
309
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
310
|
C1CCC(CC1)CON2CCCC2C#N
|
|
311
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
312
|
C[C@@H]1Cc2c3c(cccc3N1)ncn2
|
|
313
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
314
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
315
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
316
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
317
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
318
|
c1ccc2c(c1)Cc3ccccc3SC2
|
|
319
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
320
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
321
|
c1ccc(c(c1)C(=O)[O-])[n+]2cc(on2)[O-]
|
|
322
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
323
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
324
|
c1ccc(cc1)c2cc3ccsc3o2
|
|
325
|
Cc1csc(n1)c2c(nc3n2ccs3)C
|
|
326
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
327
|
c1ccc2c(c1)ncn2c3c(snn3)C(=O)N
|
|
328
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
329
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
330
|
CCOC(=O)c1ccc(=O)c2cccc3c2c1C=C3
|
|
331
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
332
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
333
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
334
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
335
|
|
|
336
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
337
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
338
|
c1cc2c(cc1Cl)N=C3C(=NNC(=N3)[O-])S2
|
|
339
|
Cc1coc(=O)n1c2ccc(c(c2)Cl)Cl
|
|
340
|
|
|
341
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
342
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
343
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
344
|
Cc1ccc(o1)[C@@]2(CCNC(=O)O2)C(F)(F)F
|
|
345
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
346
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
347
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
348
|
CC(=O)c1ccc-2c(c1)-c3c2cccc3
|
|
349
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
350
|
c1ccc2c(c1)ccc3c2c4c(o3)cno4
|
|
351
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
352
|
c1ccc2c(c1)Cc3ccccc3NC2
|
|
353
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
354
|
CCO[C@@H](C=C)n1cncn1
|
|
355
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
356
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
357
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
358
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
359
|
CC[C@@H]1C2CCN(C(=O)C2COC1=O)C
|
|
360
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
361
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
362
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
363
|
CC1=C[C@@H](n2c(ncn2)N1)c3ccccc3F
|
|
364
|
CCc1cccc([o+]1)c2ccccc2
|
|
365
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
366
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
367
|
CCc1ccc(cc1)S(=O)(=O)[N-]c2nc(ns2)SC
|
|
368
|
Cc1nccc(n1)Sc2ccccc2
|
|
369
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
370
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
371
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
372
|
CNc1nc2c(s1)[C@@H](CC(=N2)O)c3ccccc3
|
|
373
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
374
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
375
|
Cn1c2ccccc2n(c(=O)c1=O)Cc3ccon3
|
|
376
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
377
|
c1ccc(cc1)SCn2cncn2
|
|
378
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
379
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
380
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
381
|
c1ccc2c(c1)c(c3c(n2)CCC3)n4cccn4
|
|
382
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
383
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
384
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
385
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
386
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
387
|
CCc1c(ccn1C=C)c2ccccc2
|
|
388
|
C[C@@H]1CO[S@@](=O)N1C2CCCCC2
|
|
389
|
c1ccc(cc1)CCn2cnnn2
|
|
390
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
391
|
c1ccc2c(c1)Cc3ccccc3N=C2C#N
|
|
392
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
393
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
394
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
395
|
c1cc(oc(=O)c1)c2cccnc2
|
|
396
|
c1ccc(cc1)C2=CCNn3cnnc3S2
|
|
397
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
398
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
399
|
c1ccc-2c(c1)[C@]34CCN5[C@H]3C[C@@H](C5=O)c6c4n2c(=O)cc6
|
|
400
|
c1cc2c(c(c1)F)ncnc2n3ccnc3
|
|
401
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
402
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
403
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
404
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
405
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
406
|
[H]/N=c/n(ccs1)/N=N/c2ccccc2
|
|
407
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
408
|
c1cc(sc1)Cc2[n-]nnn2
|
|
409
|
c1cc(sc1)c2c(n[n-]n2)C#N
|
|
410
|
CCOC(=O)C1=NCc2c1cccc2
|
|
411
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
412
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
413
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
414
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
415
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
416
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
417
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
418
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
419
|
CC1=CC(=O)Nc2c(cccn2)O1
|
|
420
|
[H]/N=c/n(nc(s1)C)Cc2ccccc2
|
|
421
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
422
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
423
|
c1cc2c(nc3ccsc3n2c1)N4CCC=CC4
|
|
424
|
C1CCN(C(=O)C1)[C@@H]2C[C@@H]([C@@H](O2)CO)O
|
|
425
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
426
|
c1ccc2c(c1)Cc3c[nH]cc3C2
|
|
427
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
428
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
429
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
430
|
CCC(=O)C#Cc1ccccc1
|
|
431
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
432
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
433
|
CS(=O)(=O)NCCOc1ccccc1
|
|
434
|
CNC(=O)N(c1ccccc1)C2=NCCCCC2
|
|
435
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
436
|
c1ccc2c(c1)C=Cc3ccccc3N2
|
|
437
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
438
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
439
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
440
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
441
|
c1ccc2c(c1)Nc3c(sc(=O)[nH]3)C=N2
|
|
442
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
443
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
444
|
C(C(=O)[O-])Sc1nc(=O)c(ns1)[O-]
|
|
445
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
446
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
447
|
c1ccc2c(c1)CCc3ccccc3C2
|
|
448
|
Cc1c(c(noc1=O)C)c2ccc(c(c2)C(=O)[O-])Cl
|
|
449
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
450
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
451
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
452
|
c1ccc2c(c1)C(=O)OC2(n3cnnn3)n4cnnn4
|
|
453
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
454
|
CN1C(NCN1)CCC2CCCCC2
|
|
455
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
456
|
Cc1ccc(n1c2c3c(cccc3F)n(n2)S(=O)(=O)C)C
|
|
457
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
458
|
C1CCC(CC1)N2CC3=C(C2=O)CCCC3
|
|
459
|
c1ccc(cc1)CN2CCNS2(=O)=O
|
|
460
|
Cc1cc(=O)c(c(o1)Nc2nnns2)C(=O)C
|
|
461
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
462
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
463
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
464
|
CC1=C(C(=O)N(CO1)C(C)(C)C(=O)[O-])c2ccccc2F
|
|
465
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
466
|
CC1C(N2C(NCN2)NN1)N(C)C3CCCCC3
|
|
467
|
c1ccc2c(c1)ccc3c2[C@@H]4CC[C@H](O3)O4
|
|
468
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
469
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
470
|
c1ccc(cc1)/C=C/c2cccs2
|
|
471
|
CN(C)C1=NS(=O)(=O)N=C(O1)N(C)c2ccccc2
|
|
472
|
c1ccc(cc1)C2=CC(=O)OC2
|
|
473
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
474
|
Cn1c2c(cn1)nc([nH]2)c3ccccc3
|
|
475
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
476
|
Cc1cc(nc(n1)n2c(cc(=O)[nH]c2=O)N)C
|
|
477
|
COC1CC2C(CC1O)-C3C(CNO3)CCC2
|
|
478
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
479
|
c1cc(oc1)c2csc(n2)CC#N
|
|
480
|
c1ccc(cc1)CNc2cnccn2
|
|
481
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
482
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
483
|
C[C@@]1(c2cccn2-c3ccccc3CO1)C(=O)[O-]
|
|
484
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
485
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
486
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
487
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
488
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
489
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
490
|
Cc1c(c2nnnn2c(n1)c3ccccn3)Cl
|
|
491
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
492
|
CC1(C=Cc2c(c3ccccc3[nH]c2=O)O1)C
|
|
493
|
c1ccn(c1)C(=O)[C@@H]2CC(=O)OC2
|
|
494
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
495
|
c1ccc(cc1)[C@@H]2C(=O)Oc3cccnc3S2
|
|
496
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
497
|
CC[C@@]1(C(=O)N=C2N1C(=O)c3c2cccc3)C
|
|
498
|
Cn1cccc1/C=C(/c2ccccc2)OC
|
|
499
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
500
|
c1ccc(cc1)C2=CC[C@@](C=C2)(C#N)F
|
|
501
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
502
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
503
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
504
|
Cc1cc(=O)c(c(o1)[O-])C2=NCCCCC2
|
|
505
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
506
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
507
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
508
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
509
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
510
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
511
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
512
|
c1ccc(cc1)Oc2ccccc2
|
|
513
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
514
|
c1ccc2c(c1)C=Nc3ccccc3O2
|
|
515
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
516
|
c1cc(ccc1N2C3=CCCCC3=C(C2=O)O)Cl
|
|
517
|
c1ccc(cc1)c2cc(c(o2)n3cccc3)C#N
|
|
518
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
519
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
520
|
c1ccc2c(c1)N[C@@H]3C[C@H](N2)O[C@@H]3[C@H](CO)O
|
|
521
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
522
|
C1CC(C1)C(=O)N([C@H]2CC(=NC2=O)[O-])C3CC3
|
|
523
|
COc1ccccc1n2ccnc(c2=O)N
|
|
524
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
525
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]3C(=O)[O-]
|
|
526
|
CC1(C=C2c3cccc(c3C(=O)N2c4c1cccc4)C(=O)[O-])C
|
|
527
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
528
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
529
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
530
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
531
|
CNc1c2c(nccn2)ncn1
|
|
532
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
533
|
c1ccc(cc1)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
534
|
Cc1nc(nc(n1)N)c2ccccc2
|
|
535
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
536
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
537
|
Cc1n[nH]c(=O)n1Nc2ccccc2
|
|
538
|
CC[C@@H]1C2CC-3N(C(=O)C2COC1=O)CC4C3CCCC4
|
|
539
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
540
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
541
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
542
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
543
|
Cc1c2c(nc(oc2=O)c3ccccc3Cl)sn1
|
|
544
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
545
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
546
|
CN(C)C1N/C(=[NH+]/CC2CCCO2)/SS1
|
|
547
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
548
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
549
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
550
|
c1ccc(cc1)C2=CC[C@@](C=C2)(O)Br
|
|
551
|
c1nc(c2c(n1)scn2)N
|
|
552
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
553
|
c1cc2c(cc1c3nccs3)CC=C2
|
|
554
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
555
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
556
|
CC1=CC=C2C3CCCCC3C=CN2C(=O)C1
|
|
557
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
558
|
C1CCN(C1)c2c(nns2)CO
|
|
559
|
c1cc(ccc1[C@@H]2[N-]S(=O)(=O)N=C3N2CCC3)F
|
|
560
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
561
|
c1csc2c1C(=O)N[C@@H]3CCCCN3C2
|
|
562
|
c1ccc2c(c1)nnn2c3cnns3
|
|
563
|
c1ccc(cc1)c2c3ccccc3nnn2
|
|
564
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
565
|
c1ccc2c(c1)Cn3c(cnn3)C=N2
|
|
566
|
c1ccc-2c(c1)-c3cccc4c3c2ccc4
|
|
567
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
568
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
569
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
570
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
571
|
C1CCN(CC1)C2NC(=O)C(NS2)N
|
|
572
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
573
|
|
|
574
|
|
|
575
|
Cc1csc(n1)Sc2csc(n2)Cl
|
|
576
|
c1cc(sc1)CSc2ccc(cc2)O
|
|
577
|
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])c2ccco2
|
|
578
|
COc1cccc(c1)S(=O)(=O)[C@@H]2CC=NC2
|
|
579
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
580
|
c1ccnc(c1)SCCn2cccn2
|
|
581
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
582
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
583
|
CN(C)C1=[NH+]C=CC(=CC1)c2ccccc2
|
|
584
|
C[C@@H](c1ccc(cc1)CC(C)C)/C(=N/S(=O)(=O)C)/[O-]
|
|
585
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
586
|
COc1ccc(cc1)C2=C(C(=O)N3CCC[C@@H]3C2)c4ccccn4
|
|
587
|
Cc1ccccc1CC(=O)N2CCCS2(=O)=O
|
|
588
|
C1CCC2C(C1)-C3C(CNCN3)S(=O)(=O)CO2
|
|
589
|
Cc1nc(n(n1)C(=O)c2cccs2)C
|
|
590
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
591
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
592
|
Cc1nc2c(ncnc2o1)N
|
|
593
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
594
|
C/C=C/C[C@@]1(C(=N1)C2CCCCC2)C
|
|
595
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
596
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
597
|
Cc1[nH]c(c(n1)[C@@H](c2ccc(cc2)F)C(C#N)C#N)[O-]
|
|
598
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
599
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
600
|
CCN(CC)C1=Nc2ccccc2-n3ccnc3C1
|
|
601
|
CC(=O)N1CCN=C1CC2CCCCC2
|
|
602
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
603
|
Cn1cccc1CNc2[n-]nnn2
|
|
604
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
605
|
CNc2cc[nH+]cc2N/C1=C/3C=Nc4c3cccc4
|
|
606
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
607
|
c1ccc(cc1)Cn2cnnn2
|
|
608
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
609
|
|
|
610
|
Cn1cc(nc1)S(=O)(=O)N
|
|
611
|
COc1cc2c(cc1OC)-c3cccn3CC2
|
|
612
|
c1ccc(cc1)COc2c(nccn2)N
|
|
613
|
C1[C@@H](N2C=CC=NC2=NC1=O)C(=O)[O-]
|
|
614
|
|
|
615
|
C1=C/C(=C/C(=NNN2)C(=O)[O-])/C(=O)C=C1
|
|
616
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
617
|
c1cc(ccc1[C@@H](c2ccns2)O)F
|
|
618
|
c1cc(ccc1C2=CC=NS(=O)(=O)N2)Cl
|
|
619
|
c1ccc2c(c1)Cc3c(ccs3)C=C2
|
|
620
|
C1CCc2c(c3c(s2)N=C4CCCN4C3)C1
|
|
621
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
622
|
C1CCC2C(C1)CC3CCCC4C3[C@@H]2N=C4
|
|
623
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
624
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
625
|
c1ccc2c(c1)Cc3ccccc3O2
|
|
626
|
c1ncn(n1)NCNn2cncn2
|
|
627
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
628
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
629
|
C[C@@H]1Cc2cc3ccccc3c(=O)n2C=C1
|
|
630
|
c1ccc(cc1)C(=O)CC2=CCCCC2
|
|
631
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
632
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
633
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
634
|
C[C@@H]1[C@@H]2[C@@H](N(C(=[NH+][C@@H]2N(C(=O)N1)C)O)C)/C=C/c3ccccc3
|
|
635
|
c1ccc(cc1)COn2ccnc2
|
|
636
|
c1ccc-2c(c1)-c3c2nc4ccccc4n3
|
|
637
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
638
|
Cc1cc(c2nncn2n1)n3cc(c(=O)[nH]c3=O)F
|
|
639
|
Cc1cc(n(n1)C(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)C
|
|
640
|
c1ccc-2c(c1)-c3cccc4c3c2cnc4
|
|
641
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
642
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
643
|
c1ccc2c(c1)c(=O)cc(o2)c3cc(cc4c3OCOC4)Cl
|
|
644
|
c1cc(ccc1F)SN2CCOCC2
|
|
645
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
646
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
647
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
648
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
649
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
650
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
651
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
652
|
Cc1c2c(oc(c2c(=O)n(n1)CC(=O)[O-])n3cccc3)C
|
|
653
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
654
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
655
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
656
|
CSc1c-2c(cs1)CCc3c2n[nH]c3
|
|
657
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
658
|
c1cc(=O)n2n(c1=O)CN(C2)n3cnnc3
|
|
659
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
660
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
661
|
C1CCC2C(C1)-C3CCCC4C3[C@@H]2OC4=O
|
|
662
|
c1ccc(cc1)NC2=NCCCO2
|
|
663
|
C#CCn1cnc2c1cccc2
|
|
664
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
665
|
CCC[C@@H]1N[C@@H](C(=N1)C(C)(C)O)C(=O)OCC
|
|
666
|
CC1=NS(=O)(=O)NC2=C1CCCC2
|
|
667
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
668
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
669
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
670
|
CCn1c(ccn1)SCC(=O)[O-]
|
|
671
|
c1ccc(cc1)C2=NC(=O)CCC2
|
|
672
|
CCCNC(=O)Cc1nc[nH]n1
|
|
673
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
674
|
c1ccc(cc1)C2=CCC(=O)O2
|
|
675
|
CC1=CC(=O)O[C@@H]1Cc2ccncc2
|
|
676
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
677
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
678
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
679
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
680
|
c1ccc2c(c1)CSc3ccccc3N2
|
|
681
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2C=CC=C3)C#N
|
|
682
|
C1CCC2C(C1)NC3N2C(NS3)N4CCNC4
|
|
683
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
684
|
c1ccc2c(c1)-c3ccccc3C24CNC(=O)O4
|
|
685
|
COC(=O)c1cc-2c(s1)C(=O)c3c2cccc3
|
|
686
|
CNc1ncc(s1)[C@@](c2ncnn2C)(C(F)(F)F)O
|
|
687
|
c1ccc2c(c1)ncc3n2c(=O)on3
|
|
688
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
689
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
690
|
C[C@@H]1C[C@@H](n2c(ncn2)N1)c3ccccc3
|
|
691
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
692
|
CC1(c2cc3ccccc3[o+]c2C=C4C1=Cc5ccccc5O4)C
|
|
693
|
Cc1c(c(n(n1)C)Sc2ccc(cc2)Cl)C(=O)N
|
|
694
|
Cc1ncc(c(n1)c2ccccc2O)c3cccnc3
|
|
695
|
c1ccc(cc1)N2[C@H]3C[C@@H]4[C@@H]2[C@@H](CC3=O)c5c4cccc5
|
|
696
|
c1ccn2cc(nc2c1)CC#N
|
|
697
|
C/N=c/1scc(s1)C23CC4CC(C2)CC(C4)C3
|
|
698
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
699
|
c1c2n(nc1C(=O)[O-])CCOC2
|
|
700
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
701
|
c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
|
|
702
|
CCCCC1C(OC(N1)C)CC=C
|
|
703
|
CC1NC(CC(=O)O1)C2CCCCC2
|
|
704
|
C1CCC(CC1)C2=NCC=CC3C2CCCC3
|
|
705
|
C1CCC2C(C1)CC3CCSC3C2
|
|
706
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
707
|
c1ccnc(c1)C2=CCCCC2
|
|
708
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
709
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
710
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
711
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
712
|
C1CCC(CC1)[C@@]23CCCN=C2NC(=O)CC3
|
|
713
|
c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O
|
|
714
|
|
|
715
|
Cc1c2ccccc2sc1c3cnc(s3)C
|
|
716
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
717
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
718
|
COc1cc(c(s1)C(=O)OC)OC(=O)c2ccco2
|
|
719
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
720
|
C[C@H]1[C@H]2C(=NC1=O)[N-]c3ccccc3S2
|
|
721
|
Cc1cc(n(n1)c2nc(cs2)C)C
|
|
722
|
c1ccc(cc1)C2=COc3ccccc3O2
|
|
723
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
724
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
725
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
726
|
CC1(C=CN(C=C1)C(=O)C2=NC=CC2)C
|
|
727
|
c1ccc2c(c1)[C@@H]3c4cccn4CCN3C2=O
|
|
728
|
CCCC[C@@]1(CN(C(=O)OC1)C)CC
|
|
729
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
730
|
c1ccc(cc1)n2c3ccsc3cn2
|
|
731
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
732
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
733
|
c1cc(sc1)C2=CC[C@@H](C(=O)N2)C#N
|
|
734
|
Cc1c(oc(n1)SCC(=O)[O-])C
|
|
735
|
Cc1ccccc1n2n(o2)c3ccccc3C
|
|
736
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
737
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
738
|
c1ccc(cc1)c2ccccc2
|
|
739
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
740
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
741
|
c1cc(ccc1[C@@]2(NC(=O)N=C3N2C=CC=C3)C(F)(F)F)Cl
|
|
742
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
743
|
Cc1c(sc(c1C(=O)[O-])n2cnnn2)C
|
|
744
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
745
|
c1ccc(cc1)n2c(noc2=O)c3cccnc3
|
|
746
|
c1ccc(cc1)CCc2csnn2
|
|
747
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
748
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@@H]4C=C[C@H]3[C@@H]5[C@@H]4C=C5
|
|
749
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
750
|
c1ccc(cc1)OCc2nnco2
|
|
751
|
c1ccc(cc1)n2c3c(ccc(=O)o3)cn2
|
|
752
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)no2
|
|
753
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
754
|
c1ccc(cc1)Cn2ccnc2
|
|
755
|
c1ccc-2c(c1)CSc3c2cccc3
|
|
756
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
757
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
758
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
759
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
760
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
761
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
762
|
c1ccc2c(c1)-c3c(nc(=O)[nH]c(=O)n3)C2=O
|
|
763
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
764
|
c1ccc2c(c1)-c3c(cc(s3)C(=O)[O-])CS2
|
|
765
|
c1cnnc(n1)c2nccnn2
|
|
766
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
767
|
CCOC(=O)CN1CCC(=CC1)C
|
|
768
|
C[C@@H]1CC2=C(CNc3ccccc3N2)C(=O)O1
|
|
769
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
770
|
C1CCC(CC1)C2C(C3CNCCC3O2)C#N
|
|
771
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
772
|
c1ccc2c(c1)CCCN2c3c(cno3)C#N
|
|
773
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
774
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
775
|
c1ccc(cc1)C2=NC(=O)CN2
|
|
776
|
CC(C)(C)OC(=O)N1Cc2c(nc[nH]2)C1
|
|
777
|
c1ccc(cc1)C2=CC(=O)O[C@@]23CCCC=C3
|
|
778
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
779
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
780
|
c1ccc(cc1)C#Cc2cccs2
|
|
781
|
c1ccc(cc1)[C@@H]2c3nnnn3-c4ccccc4C2=O
|
|
782
|
c1ccc2c(c1)nnn2c3nnns3
|
|
783
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
784
|
CC1=NC2CCCCC2N[C@@H](C1)C3CCOC3
|
|
785
|
CCOC(=O)Cc1[nH]ncn1
|
|
786
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
787
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
788
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
789
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
790
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
791
|
CC(=O)NCc1ccccn1
|
|
792
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
793
|
Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
|
|
794
|
CC(=O)c1c(cc(cn1)C(F)(F)F)n2cncn2
|
|
795
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
796
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
797
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
798
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
799
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
800
|
CNc1c(ncnn1)C(=O)[O-]
|
|
801
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
802
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
803
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
804
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
805
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
806
|
c1csc2c1CCO[C@@H]2CC(=O)[O-]
|
|
807
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
808
|
c1ccc-2c(c1)Cc3c2nc4ncnn4c3
|
|
809
|
CC1=CC(=O)O[C@@H](C1)c2ccccc2
|
|
810
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
811
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
812
|
c1ccc2c(c1)n(c(=O)o2)Cc3ccon3
|
|
813
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
814
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
815
|
CC1(C(=N1)N(C)C2CCCCC2)C
|
|
816
|
c1ccc(cc1)n2cccc2c3nc(nc(n3)Cl)Cl
|
|
817
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
818
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
819
|
COC(=O)C[C@@]1(C(=C(C(=N1)[O-])N)C(=O)OC)C(=O)OC
|
|
820
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
821
|
C1CCC2C(C1)C[C@@H]3[C@@H]2C4CCCCC4N3
|
|
822
|
|
|
823
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
824
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
825
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
826
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
827
|
Cc1ncc2c(n1)-c3cc(ccc3SC2)F
|
|
828
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
829
|
Cn1c(c(c(=O)n(c1=O)C)n2c(nnn2)N(C)C)N
|
|
830
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
831
|
c1ccc2c(c1)-c3nc4ccccc4n3CC(=O)N2
|
|
832
|
CCN([C@H]1CC(=NC1=O)[O-])C(=O)c2ccc(cc2)F
|
|
833
|
c1ccnc(c1)SCc2ccco2
|
|
834
|
c1ccc2c(c1)cc3n(c2=O)CCCCC3
|
|
835
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
836
|
c1csc2c1ncnc2n3ccnc3
|
|
837
|
CCOC(=O)c1c(cccc1OC)/C=C/c2c(ncs2)Cl
|
|
838
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
839
|
CN1c2ccc(cc2-c3n[nH]c(=O)c(=O)n3CC1=O)Cl
|
|
840
|
CSc1cc(=O)cc(s1)c2ccccc2
|
|
841
|
C1CCC(CC1)CC2=NCOC2=O
|
|
842
|
c1ccc(cc1)/C=C/2CCC=C2N3CCOCC3
|
|
843
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
844
|
c1ccc(cc1)c2c-3n(c(=O)s2)C(=O)c4c3cccc4
|
|
845
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
846
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
847
|
CC1CCCC(N1)C2[N-]NNN2
|
|
848
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
849
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
850
|
COc1ccccc1Cc2c(nccn2)Cl
|
|
851
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
852
|
CN(CCn1cccn1)c2ccccc2
|
|
853
|
|
|
854
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
855
|
CC1=C(OC2=NC(=O)C[C@@]12C#N)C
|
|
856
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
857
|
Cc1csc(n1)[C@@H](C#N)C2=NS(=O)(=O)c3c2cccc3
|
|
858
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
859
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
860
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
861
|
C1CSCC1CC2=NCCC3C2SCC3
|
|
862
|
Cc1cc(n(n1)C(=O)c2c(nns2)C)C
|
|
863
|
Cc1c(c(n[nH]1)O)[C@@H]2c3ccccc3C(=O)O2
|
|
864
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
865
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
866
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
867
|
c1cnnc2c1-c3c(non3)CC2
|
|
868
|
c1ccc(cc1)C=N2=CC=CC=C2
|
|
869
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
870
|
c1cc2c(cc1Cn3cnnc3)OCO2
|
|
871
|
Cc1nnnn1c2cc3c(s2)CCCC3
|
|
872
|
CC(C)(C)C1C2=NC(=O)C(=C2OC1O)C(C)(C)C
|
|
873
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
874
|
c1ccc(cc1)c2cnc3n2nccc3
|
|
875
|
c1ccc(cc1)Nc2ccccn2
|
|
876
|
c1ccc(cc1)/C=C/c2csnn2
|
|
877
|
c1cc(sc1)Sc2c(nccn2)C#N
|
|
878
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
879
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
880
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
881
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
882
|
c1ccc2c(c1)-c3ccccc3N=CN2
|
|
883
|
Cc1nc(cs1)C#C[C@@H]2C=CC=NC2=O
|
|
884
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
885
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
886
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
887
|
c1c(nc(cn1)Cl)n2cncn2
|
|
888
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
889
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
890
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
891
|
Cc1c(non1)NCn2cnnn2
|
|
892
|
CCOC(=C=C(C)c1ccccc1)n2c(ncn2)C
|
|
893
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
894
|
CN1C2CCC(CC2OC1=O)[C@@H]3CCC(=O)N3C
|
|
895
|
|
|
896
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
897
|
|
|
898
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
899
|
CC1CCC(CC1)S(=O)(=O)N2CCN3C2C(CN3)C#N
|
|
900
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
901
|
Cc1cnc(o1)CN2CCOCC2
|
|
902
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
903
|
Cc1c2ccsc2c(c3c1C(=O)OC3(C)C)O
|
|
904
|
c1ccc(cc1)NCn2cncn2
|
|
905
|
COC1=NS(=O)(=O)C=C(O1)C2CCCCC2
|
|
906
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
907
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
908
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
909
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
910
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
911
|
|
|
912
|
CC(C)NC(=O)CSc1nnns1
|
|
913
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
914
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
915
|
c1ccc2c(c1)Cc3ccccc3S2
|
|
916
|
CC(=O)N1CN=C2N(C1)c3ccccc3S2
|
|
917
|
c1ccc2c(c1)C[C@@H]3CNCc4c3c(ccc4)S2
|
|
918
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
919
|
c1ccc2c(c1)C(=O)Nc3ccccc3N2
|
|
920
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
921
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
922
|
C=CCN(Cc1nccn1C(F)F)C2CC2
|
|
923
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
924
|
c1cnccc1CSc2nncs2
|
|
925
|
c1ccc(cc1)C2=Nc3nnnn3[C@@H](C2)c4ccccc4Cl
|
|
926
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
927
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
928
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
929
|
CCCCN1C(=O)C[C@@H]2[C@@]1(OCC2)C
|
|
930
|
c1ccc2c(c1)CC(=C2)N3CCCCC3
|
|
931
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
932
|
Cc1cc(=O)oc2c1sc3c2cccc3
|
|
933
|
c1ccc-2c(c1)CCNc3c2cccc3
|
|
934
|
C1NC2C(C(N1)N)NC(=O)C2
|
|
935
|
c1ccc2c(c1)CC[NH+]=C2c3ccco3
|
|
936
|
Cnccs/c1=NC(=O)Cc2cccs2
|
|
937
|
CC1C2C(C(C3N2N(N1)CC3)C(=O)OC)C(=O)OC
|
|
938
|
|
|
939
|
Cc1c2ccc3c(c2oc(=O)c1Br)[nH]c(=O)o3
|
|
940
|
COc1ccccc1/N=c/2cccccc2O
|
|
941
|
CC(=O)O/C=C/c1ccccc1
|
|
942
|
c1ccc(cc1)n2c3c(cn2)C(=O)CC3
|
|
943
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
944
|
|
|
945
|
CC1=C(C2(CCN(CC2)C(=O)C)OC1=O)C(=O)[O-]
|
|
946
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
947
|
c1ccc(cc1)S[C@@H]2[C@@H]3C=CC[C@@H]3C2=O
|
|
948
|
COC1=NS(=O)(=O)N=C1N2CCOCC2
|
|
949
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
950
|
CC1(Nc2ccnn2C(=N1)Oc3ccccc3)C
|
|
951
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
952
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
953
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
954
|
Cc1c2c(nc(s2)N(C)CC(=O)[O-])n(n1)c3ccccc3
|
|
955
|
Cc1cc2n(c1)-c3ccccc3C2=O
|
|
956
|
c1ccc(cc1)C2=NC(=O)[C@@]([N-]2)(C(F)(F)F)Nc3nccs3
|
|
957
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
958
|
C1=N[C@@H]2[C@@H](C(=O)N1)N=CN2[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
|
|
959
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
960
|
Cc1c(cco1)c2nc3ccccc3s2
|
|
961
|
c1ccn(c1)c2c(non2)N
|
|
962
|
c1csc2c1c(ncn2)n3ccnc3
|
|
963
|
|
|
964
|
[H]/N=C/N/C(=C/CCNC(=O)c3c2cc[nH]3)/C(=N1)[O-]
|
|
965
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
966
|
c1ccc2c(c1)CCN2c3nc4ccccc4o3
|
|
967
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
968
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
969
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
970
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
971
|
[H]/N=c/n(c(c(s1)C2=c3ccccc3=NC2=O)O)C
|
|
972
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
973
|
c1ccc2c(c1)c3c(c(=O)o2)S[C@@H](C3)C(F)(F)F
|
|
974
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
975
|
C=C1C=C(C(=O)Nc2ccccc2N1)O
|
|
976
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
977
|
c1cc(c(c(c1)Cl)N)c2c[nH]cc2Cl
|
|
978
|
c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
|
|
979
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
980
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
981
|
CNC(=O)Nc1c2ccccc2nnn1
|
|
982
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
983
|
Cc1c(sc-2c1Cc3c2sc(c3C)C)C
|
|
984
|
C/C(=N/c1nnc2n1NC(=C)C=C([NH2+]2)[O-])/O
|
|
985
|
COc1nc(nc(n1)OC)Nc2nccs2
|
|
986
|
c1ccc(cc1)Nc2nnns2
|
|
987
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
988
|
c1ccc(cc1)n2c(=O)ccs2
|
|
989
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
990
|
c1ccc(cc1)OCn2ccc(=O)cc2
|
|
991
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
992
|
c1ccc(cc1)NC(=O)C(=N2=CC=CC=C2)C#N
|
|
993
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
994
|
c1ccc-2c(c1)Cc3c2cccc3
|
|
995
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
996
|
c1ccc2c(c1)CCN3[C@@H]2Cc4c(cno4)C3=O
|
|
997
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
998
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
999
|
CC1(Cc2c(oc3c2c(ncn3)N)CO1)C
|
|
1000
|
c1cc2ccc3cccc4c3c2c(c1)C4
|
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