(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
2
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
3
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
4
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
5
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
6
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
7
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
8
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
9
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
10
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
11
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
12
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
13
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
14
|
Cncc([nH]/c1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
15
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
16
|
COc1c2c([nH]n1)nncn2
|
|
17
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
18
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
19
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
20
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
21
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
22
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
23
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
24
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
25
|
|
|
26
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
27
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
28
|
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
|
|
29
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
30
|
|
|
31
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
32
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
33
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
34
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
35
|
c1ccc(cc1)NC(=O)Nc2ccno2
|
|
36
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
37
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
38
|
c1ccc(cc1)c2cnccn2
|
|
39
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
40
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
41
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
42
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
43
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
44
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
45
|
Cc1c(c[nH]n1)c2nc(sn2)Nc3ccccc3
|
|
46
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
47
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
48
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
49
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
50
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
51
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
52
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
53
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
54
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
55
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
56
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
57
|
c1cc(sc1)CCNc2ncccn2
|
|
58
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
59
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
60
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
61
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
62
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
63
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
64
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
65
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
66
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
67
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
68
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
69
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
70
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
71
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
72
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
73
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
74
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
75
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
76
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
77
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
78
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
79
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
80
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
81
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
82
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
83
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
84
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
85
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
86
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
87
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
88
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
89
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
90
|
|
|
91
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
92
|
|
|
93
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
94
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
95
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
96
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
97
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
98
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
99
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
100
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
101
|
|
|
102
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
103
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
104
|
Cc1cnc(s1)Nc2cnc(nc2)SC
|
|
105
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
106
|
CC1CCCC(N1)C2[N-]NNN2
|
|
107
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
108
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
109
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
110
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
111
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
112
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
113
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
114
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
115
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
116
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
117
|
Cc1nc(no1)c2cccc(c2)S(=O)(=O)NCC(=O)[O-]
|
|
118
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
119
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
120
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
121
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
122
|
C#Cc1ccc2c(c1)nccn2
|
|
123
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
124
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
125
|
|
|
126
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
127
|
|
|
128
|
Cn1c2c([nH]c1=O)nncn2
|
|
129
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
130
|
CCOC=C(c1nnco1)c2nnco2
|
|
131
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
132
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
133
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
134
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
135
|
c1cnc(cn1)c2nnc(o2)N
|
|
136
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
137
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
138
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
139
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
140
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
141
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
142
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
143
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
144
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
145
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
146
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
147
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
148
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
149
|
|
|
150
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
151
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
152
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
153
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
154
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
155
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
156
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
157
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
158
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
159
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
160
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
161
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
162
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
163
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
164
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
165
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
166
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
167
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
168
|
C1CCC(CC1)C2=NCC=CC3C2CCCC3
|
|
169
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
170
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
171
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
172
|
CNC1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl
|
|
173
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
174
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
175
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
176
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
177
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
178
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
179
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
180
|
|
|
181
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
182
|
c1ccc(cc1)n2c(nc(n2)Cl)c3ccco3
|
|
183
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
184
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
185
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
186
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
187
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
188
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
189
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
190
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
191
|
CNc1nnc(s1)c2cnccn2
|
|
192
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
193
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
194
|
Cc1nc-2n(n1)C=COc3c2cccc3
|
|
195
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
196
|
C[C@@H]1NC(=C2C(=N1)NC[NH]2)C(=O)N
|
|
197
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
198
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
199
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
200
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
201
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
202
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
203
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
204
|
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
|
|
205
|
CCOc1cc2c(cc1F)nnc(n2)C
|
|
206
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
207
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
208
|
CNCC(=N/C1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
209
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
210
|
CC(C)NC(=O)OCC[S@@](=O)C1C(C(NN1C)CL)CL
|
|
211
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
212
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
213
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
214
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
215
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
216
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
217
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
218
|
Cc1nc(no1)c2ncon2
|
|
219
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
220
|
CCC(=O)Cc1cnccn1
|
|
221
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
222
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
223
|
c1ccc(cc1)NC(=O)n2ccnc2
|
|
224
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
225
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
226
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
227
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
228
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
229
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
230
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
231
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
232
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
233
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
234
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
235
|
Cc1cc(ncn1)Nc2ccccc2
|
|
236
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
237
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
238
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
239
|
|
|
240
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
241
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
242
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
243
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
244
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
245
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
246
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
247
|
CNC(=O)N/C=C/c1ccco1
|
|
248
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
249
|
c1cnnc(n1)c2nccnn2
|
|
250
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
251
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
252
|
C1CCc2c(nc(nn2)N)C1
|
|
253
|
Cc1ccc(cc1)[C@@H]2Nc3c(c(no3)C)-c4ccccc4O2
|
|
254
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
255
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
256
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
257
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
258
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
259
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
260
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
261
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
262
|
|
|
263
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
264
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
265
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
266
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
267
|
|
|
268
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
269
|
|
|
270
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
271
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
272
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
273
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
274
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
275
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
276
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
277
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
278
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
279
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
280
|
Cn1ccc(n1)C#CCN2CCOCC2
|
|
281
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
282
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
283
|
c1ccc(cc1)CNc2c(non2)O
|
|
284
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
285
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
286
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
287
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
288
|
CCCCC#CC#CCN(C)C
|
|
289
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
290
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
291
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
292
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
293
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
294
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
295
|
|
|
296
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
297
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
298
|
|
|
299
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
300
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
301
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
302
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
303
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
304
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
305
|
|
|
306
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
307
|
CC(=O)Nc1ccc(cc1)S(=O)(=O)Oc2c(nccn2)N
|
|
308
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
309
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
310
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
311
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
312
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
313
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
314
|
|
|
315
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
316
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
317
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
318
|
C1CNC([NH]1)[C@@H]2CCCCN2C(=O)C3CC3
|
|
319
|
c1cnc(c(n1)C(=O)[C@@H]2CCOC2)Cl
|
|
320
|
CC[C@@]1(CN(CC=C1)C(=O)OC2CCCCC2)CC(=O)N(C)C
|
|
321
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
322
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
323
|
COC1NC2CCCCC2NN1
|
|
324
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
325
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
326
|
C1CCC(CC1)NSC2CCCCC2
|
|
327
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
328
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
329
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
330
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
331
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
332
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
333
|
Cc1nc(c(n1C)O[C@@H]2CCCCO2)SCc3ccccc3
|
|
334
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
335
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
336
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
337
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
338
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
339
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
340
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
341
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
342
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
343
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
344
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
345
|
c1cc(ccc1c2c(c3cc(c(nc3o2)Cl)C#N)N)F
|
|
346
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
347
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
348
|
Cc1ccc2c(c1)nnc(n2)N
|
|
349
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
350
|
c1cc2cccc3c2c(c1)C4=NS(=O)(=O)N=C34
|
|
351
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
352
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
353
|
|
|
354
|
[H]/N=C/1N[C@H](N/C(=N/c2ccc(cc2)Cl)/N1)c3ccc(cc3)OC
|
|
355
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
356
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
357
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
358
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
359
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
360
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
361
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
362
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
363
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
364
|
Cc1c(nc([nH]1)c2[nH]c(c(n2)C)C)C
|
|
365
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
366
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
367
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
368
|
|
|
369
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
370
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
371
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
372
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
373
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
374
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
375
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
376
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
377
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
378
|
CC1(CO/C(=C/C(=O)c2ccccc2)/N1)C
|
|
379
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
380
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
381
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
382
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
383
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
384
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
385
|
Cc1c(cnc(n1)C)C(=O)C
|
|
386
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
387
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
388
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
389
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
390
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
391
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
392
|
Cc1nc(no1)c2cc(sc2)S(=O)(=O)NC3CC3
|
|
393
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
394
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
395
|
CCc1c(nccn1)SC
|
|
396
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
397
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
398
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
399
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
400
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
401
|
CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2
|
|
402
|
c1cc(ccc1c2nnnn2c3cnccn3)Cl
|
|
403
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
404
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
405
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
406
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
407
|
CN(C)c1nc(nc(n1)OC)Nn2cnnc2
|
|
408
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
409
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
410
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
411
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
412
|
|
|
413
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
414
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
415
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
416
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
417
|
CCCSc1[n-]s/c(=N/C(=O)CN2CCCC2)/n1
|
|
418
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)NC2CC2)C#N
|
|
419
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
420
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
421
|
Cc1nnc(o1)Nc2ccccc2
|
|
422
|
COc1ccccc1C/C=C/c2cccs2
|
|
423
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
424
|
|
|
425
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
426
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
427
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
428
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
429
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
430
|
CCC(=O)N/C=C/c1ccccc1
|
|
431
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
432
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
433
|
c1ccc(cc1)[C@@H]2[C@@H]3CCCCC3=C4CCCC[C@@]4(O2)O
|
|
434
|
c1nnn(n1)C23CC4CC(C2)CC(C4)C3
|
|
435
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
436
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
437
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
438
|
|
|
439
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
440
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
441
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
442
|
c1ccc2c(c1)CC[NH+]=C(N2)N3CCOCC3
|
|
443
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
444
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
445
|
CC1=C(N/C(=C/2C=CC=CC2=O)/N1)c3ccccc3
|
|
446
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
447
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
448
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
449
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
450
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
451
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
452
|
CCOc1ccc(nn1)Sc2cc(nc(n2)SCC)C
|
|
453
|
COC(=O)Nc1cc(c[nH]1)C(=O)c2ccc(cc2Cl)Cl
|
|
454
|
|
|
455
|
CCOC(=O)c1c2c(c(s1)C)C(=NC3(N2)CCCCC3)O
|
|
456
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
457
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
458
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
459
|
C1NC2N(N1)[C@@H]3C[C@](N2)([C@H]4OC[C@@H]3O4)O
|
|
460
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
461
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
462
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
463
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
464
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
465
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
466
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
467
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
468
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
469
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
470
|
Cn1cc(nc1C(=O)[O-])NC(=O)c2cccs2
|
|
471
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
472
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
473
|
CS(=O)(=O)NCCOc1ccccc1
|
|
474
|
CCn1c2ccccc2nc1c3csnn3
|
|
475
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
476
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
477
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
478
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
479
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
480
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
481
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
482
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
483
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
484
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
485
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
486
|
c1ccc(cc1)NCCn2cccc2
|
|
487
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
488
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
489
|
C[C@@H]1C(=O)N=C(N1c2nc(nc(n2)OC)NC(C)C)N
|
|
490
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
491
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
492
|
c1cc(oc1)/C=c/2c(=O)[nH]/c(=Cc3ccco3)/c(=O)[nH]2
|
|
493
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
494
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
495
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
496
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
497
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
498
|
COC1NCC(C(N1)[O-])C#N
|
|
499
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
500
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
501
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
502
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
503
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
504
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
505
|
CCCNC(=O)Cc1nc[nH]n1
|
|
506
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
507
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
508
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
509
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
510
|
Cn1c(=O)c(c(cn1)[C@@H](C#N)c2[nH]c3ccccc3n2)Cl
|
|
511
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
512
|
Cc1c2ccn(c(=O)c2n(n1)C)CC(=O)NC3CC3
|
|
513
|
c1cnc(cn1)NC2=NCCN2
|
|
514
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
515
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
516
|
CC(C)(C#Cc1nnn(n1)C)O
|
|
517
|
COc1ccc(cc1)/C=C/c2nc3c(o2)C=CCC3
|
|
518
|
c1ccc(cc1)[C@@H]2[C@@H]3C(=NC(=O)N2)NC(=O)N3
|
|
519
|
|
|
520
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
521
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
522
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
523
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
524
|
C1CCC(CC1)NC(=O)NC2=CC=CN=CO2
|
|
525
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
526
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
527
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
528
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
529
|
CCc1c(nc(c(n1)NC(CC)CC)CC)Nc2ccccn2
|
|
530
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
531
|
CSC1NCCC(N1)C#N
|
|
532
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
533
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
534
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
535
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
536
|
c1ccc(cc1)NCc2ccco2
|
|
537
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
538
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
539
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
540
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
541
|
CN(C)C1N/C(=[NH+]/CC2CCCO2)/SS1
|
|
542
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
543
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
544
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
545
|
Cn1cc(cn1)NC(=O)c2cncn2c3ccccc3
|
|
546
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
547
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
548
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
549
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
550
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
551
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
552
|
C1CC2C(CC1BR)C3CCNC(C3[NH]2)C4=NCCC4
|
|
553
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
554
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
555
|
Cc1c2c3c(cnc2sn1)c(n(n3)c4ccc(cc4)Cl)O
|
|
556
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
557
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
558
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
559
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
560
|
c1cc(cnc1)c2nc3c4c(ncn3n2)CCC4
|
|
561
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
562
|
CCc1ccc(cc1)S(=O)(=O)[N-]c2nc(ns2)SC
|
|
563
|
Cc1cc2nc(nc(n2n1)N)N
|
|
564
|
C1CC(C1)c2nc(no2)CO
|
|
565
|
Cc1ccc(cc1)c2nnco2
|
|
566
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
567
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
568
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
569
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
570
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
571
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
572
|
CC(C)c1nnc(o1)C(=O)[O-]
|
|
573
|
c1ccc(cc1)C(=O)Nc2nc3ccsc3s2
|
|
574
|
|
|
575
|
CCOc1c(o/c(=NC(=O)c2ccccc2)/s1)C(=O)OCC
|
|
576
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
577
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
578
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
579
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
580
|
CCOC(=O)C1=C(NC(=N[C@@H]1c2ccccc2)O)C
|
|
581
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
582
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
583
|
Cc1cccc(c1N2CCc3c2[nH][nH+]c3)C
|
|
584
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
585
|
|
|
586
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
587
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
588
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
589
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
590
|
c1ccc-2c(c1)CNC(=O)c3c2cccc3
|
|
591
|
C/C(=C/C=CC=CCc1cnco1)/[C@H](C(C)(C)C(=O)N)O
|
|
592
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
593
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
594
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
595
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
596
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
597
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
598
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
599
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
600
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
601
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
602
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
603
|
c1ccc(cc1)c2nncnn2
|
|
604
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
605
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
606
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
607
|
CC1NC(NO1)C2CN3C(C2C(C)C)C(=O)NC[NH]3
|
|
608
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
609
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
610
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
611
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
612
|
C1CCC(CC1)[C@@H]2CC(=O)NC3C2C(OC(=O)C3C#N)N
|
|
613
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
614
|
Cc1[nH]c(c(n1)[C@@H](c2ccc(cc2)F)C(C#N)C#N)[O-]
|
|
615
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
616
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
617
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
618
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
619
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
620
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
621
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
622
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
623
|
Cc1nc-2n(n1)CC(=Nc3c2cccc3)O
|
|
624
|
CCnc(=O)/c(=C/Nc2ccccc2)/s/c1=C(C#N)/C(=O)[O-]
|
|
625
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
626
|
Cc1[nH]nc(n1)c2ccccc2
|
|
627
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
628
|
|
|
629
|
c1ccc(cc1)COn2cc(cn2)I
|
|
630
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
631
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
632
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
633
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
634
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
635
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
636
|
c1nc(nn1CC(=O)N)C#N
|
|
637
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
638
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
639
|
Cc1nc(on1)C2CN(C2)C(=O)C
|
|
640
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
641
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
642
|
CN(C)C(=O)N[C@@H](C(Cl)(Cl)Cl)Nc1[nH]ncn1
|
|
643
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
644
|
CC1NC(NO1)C2(CCCC2)NC(=O)C
|
|
645
|
Cn1cc(cn1)NCc2ccco2
|
|
646
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
647
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
648
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
649
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
650
|
Cc1cc(nc(n1)N=C2NCCN2)C
|
|
651
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
652
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
653
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
654
|
COCC/N=c/c(=C2C=CC(=O)C=C2)[nH]c3=CNC=Cn31
|
|
655
|
c1ccc(c(c1)C2=NCCC(=O)c3c2cc(cc3)Cl)F
|
|
656
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
657
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
658
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
659
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
660
|
C1C2C(CC3C1OCO3)N/C(=C/4C=CC=[NH+]4)/C=C2O
|
|
661
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
662
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
663
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
664
|
Cc1nc(cs1)c2nnc(o2)N
|
|
665
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
666
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
667
|
c1c2c(n3c(n1)ncn3)CCC2
|
|
668
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
669
|
Cc1cc(sn1)NC(=O)c2ccco2
|
|
670
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
671
|
CC1=NS(=O)(=O)NC(C1)(C)C
|
|
672
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
673
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
674
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
675
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
676
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
677
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
678
|
c1csc(n1)n2cnnn2
|
|
679
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
680
|
CCC(CC)Nc1c(nc(c(n1)C)Oc2cc(ccn2)C)C
|
|
681
|
Cc1nc(c2c(n1)oc(n2)C)n3cc(c(=O)[nH]c3=O)F
|
|
682
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
683
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
684
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
685
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
686
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
687
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
688
|
CC1=C[C@@H]2c3c(non3)C=CC2=N1
|
|
689
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
690
|
Cc1c(c(n(n1)C)n2cncn2)N
|
|
691
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
692
|
Cn1cccc1CNc2[n-]nnn2
|
|
693
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
694
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
695
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
696
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
697
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
698
|
Cn1c2c(cn1)[C@@H](CCC2)Nc3c(cccn3)C#N
|
|
699
|
Cc1ccc(o1)SCc2ccco2
|
|
700
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
701
|
|
|
702
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
703
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
704
|
CC(C)Nc1nc(nc(n1)N2CC(=O)N=C2N)NC(C)C
|
|
705
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
706
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
707
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
708
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
709
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
710
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
711
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
712
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
713
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
714
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
715
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
716
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
717
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
718
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
719
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
720
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
721
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
722
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
723
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
724
|
CCCC(=O)NC1CCC(C2C1[C@@H]3[C@@H]2CCCCC3)O
|
|
725
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
726
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
727
|
C1C2N3C(CC(NC3SC2)N)NC1=O
|
|
728
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
729
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
730
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
731
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
732
|
CNC(=O)OCC#CCOC(=O)NC
|
|
733
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
734
|
c1ccc(cc1)/[NH+]=c/2cc(nc3n2cccc3)Cl
|
|
735
|
|
|
736
|
|
|
737
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
738
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
739
|
Cc1ccc(c(c1)C)C2=CSc3ccccc3N2
|
|
740
|
Cc1ccc(cc1)S(=O)(=O)/N=C/NC[C@@H](O2)C
|
|
741
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
742
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
743
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
744
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
745
|
c1cc2c(c(c1)n3cccn3)CCCN2
|
|
746
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
747
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
748
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
749
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
750
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
751
|
Cc1c(nc(c(c1C#N)C#N)OC)/C=C/c2ccco2
|
|
752
|
Cc1c(sc(n1)C)c2nnc(o2)N
|
|
753
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
754
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
755
|
c1ccc2c(c1)n3c(=O)c(=O)[nH]nc3s2
|
|
756
|
CC1=C([C@@H](N2C(=N1)N=CN2)c3ccccc3)C(=O)N
|
|
757
|
c1c(nc(=O)n(n1)[C@@H]2CCCO2)N
|
|
758
|
C1COCCN1C2C(=O)NC(SN2)N
|
|
759
|
Cn1c(=O)c(cn(c1=O)Nc2ccccc2)C#N
|
|
760
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
761
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
762
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
763
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
764
|
c1cc(oc1)CNc2nccs2
|
|
765
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
766
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
767
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
768
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
769
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
770
|
CC1NC(ON1)C2CNCCN2
|
|
771
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
772
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
773
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
774
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
775
|
c1cc(sc1)c2c(c(=O)n3c(c(sc3n2)C#N)N)C#N
|
|
776
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
777
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
778
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
779
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
780
|
c1ccc(cc1)Nc2ccccn2
|
|
781
|
c1c[nH]c2c1ncc(n2)Cl
|
|
782
|
|
|
783
|
CC1(c2ccc(cc2[C@H]([C@@H]1O)n3ccccc3=O)N)C
|
|
784
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
785
|
c1cscc1c2nnc(o2)N
|
|
786
|
|
|
787
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
788
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
789
|
CC1(OC[C@@H]([C@H](O1)CCO)/C=C/C=CCCCC(=O)OC)C
|
|
790
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
791
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
792
|
COc1ccc(cc1)NC(=O)NC2=C(CCC2)C(=O)OC
|
|
793
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
794
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
795
|
Cc1c(nnc(n1)SC)C
|
|
796
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
797
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
798
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
799
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
800
|
Cc1c2c(n(n1)c3ccccc3)N[S@@](=O)N2
|
|
801
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
802
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
803
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
804
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
805
|
Cn1c2c(cn1)nc[nH]c2=O
|
|
806
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
807
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
808
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
809
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
810
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
811
|
CCC1=C(OS(=O)(=O)NC1=O)C2CCCCC2
|
|
812
|
CCc1nc(cs1)CSc2nccn2C
|
|
813
|
CCCCNC(=O)C1=C(NSN1)c2ccccc2O
|
|
814
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
815
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
816
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
817
|
CC(C)NC(=O)N[C@H]1COCCO1
|
|
818
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
819
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
820
|
Cc1ccc(cc1)C#Cc2ccco2
|
|
821
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
822
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
823
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
824
|
COc1nc(nc(n1)OC)Nc2nccs2
|
|
825
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
826
|
c1cc(sc1)c2c(c(oc2c3cccs3)N)C#N
|
|
827
|
Cc1ccc(s1)Nc2ccccc2
|
|
828
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
829
|
c1c(c(sc1Cl)Cl)C2=NCCNC2=O
|
|
830
|
CN1C2C(NCCN2)N(C1=O)C
|
|
831
|
c1ccc(cc1)NCc2cccs2
|
|
832
|
c1cc(sc1)[C@H]2C=N[C@@H]3C=CC=C[C@@H]3N2
|
|
833
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
834
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
835
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
836
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
837
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
838
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
839
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
840
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
841
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
842
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
843
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
844
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
845
|
CC(C)c1nc2n(n1)C3(CCCCC3)[C@@H]4CCCC[C@@H]4N2
|
|
846
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
847
|
CC(=O)c1n[nH]c2n1ncc2
|
|
848
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
849
|
|
|
850
|
CCOc1cc(no1)Oc2ccccc2
|
|
851
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
852
|
C[C@@H]1[C@@H]2[C@@H](N(C(=[NH+][C@@H]2N(C(=O)N1)C)O)C)/C=C/c3ccccc3
|
|
853
|
CCC[C@@H]1N[C@@H](C(=N1)C(C)(C)O)C(=O)OCC
|
|
854
|
Cc1ccc(cc1)NS(=O)(=O)c2ccc(o2)Br
|
|
855
|
C1COC(N1)NC2CCCCC2
|
|
856
|
|
|
857
|
CCS(=O)(=O)NCCn1cccn1
|
|
858
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
859
|
c1ccc(cc1)[C@@]2(CC[NH2+][C@H]3[C@H]2CCCC3)O
|
|
860
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
861
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
862
|
CCOC(=O)C1=C(Oc2ccccc2NC1=O)N
|
|
863
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
864
|
c1cc2c(cc1CN3[C@@H]4C=CC=C[C@H]4C(=O)C3=O)OCO2
|
|
865
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
866
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
867
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
868
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
869
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
870
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
871
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
872
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
873
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
874
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
875
|
CC1=NC2CCCCC2N[C@@H](C1)C3CCOC3
|
|
876
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
877
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
878
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
879
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
880
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
881
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
882
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
883
|
CC(C)N1CNc2nc(nn2C1)C(F)(F)F
|
|
884
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
885
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
886
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
887
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
888
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
889
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
890
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
891
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
892
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
893
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
894
|
c1ccc(cc1)NC2=NN/C(=Nc3ccccc3)/[C@H]2Cl
|
|
895
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
896
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
897
|
Cc1cc2c(o1)ccc3c2non3
|
|
898
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
899
|
|
|
900
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
901
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
902
|
c1cc(oc1)C(=O)Nc2csnn2
|
|
903
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
904
|
c1ccc2c(c1)nnn2c3ccco3
|
|
905
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
906
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
907
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
908
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
909
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
910
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
911
|
Cc1c(c(on1)C)c2[nH]c3ccc(cc3n2)S(=O)(=O)N
|
|
912
|
Cc1c(sc(n1)c2c(cnc(n2)NCC=C)c3ccsc3)C
|
|
913
|
CCOC(=O)C=NN=C/C1=N/NSC2CCC(CC2)C
|
|
914
|
|
|
915
|
C[C@@]12CCC(=O)N1C3CNCNC3N2
|
|
916
|
CC1C(CN2C1C(=O)[NH]CN2)[O-]
|
|
917
|
c1ccc(cc1)NCn2cncn2
|
|
918
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
919
|
CC1=C([C@@H](N2C(=N1)NC=N2)c3ccccn3)C(=O)N
|
|
920
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
921
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
922
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
923
|
CCOC(=O)[C@@]1(C(=O)Nc2ccccc2S1)c3cccn3C
|
|
924
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
925
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
926
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
927
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
928
|
c1ccc2c(c1)CCNC(=O)C(=O)N2
|
|
929
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
930
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
931
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
932
|
CN1CC(CN1)NS(=O)(=O)C2CCCS2
|
|
933
|
c1ccc(cc1)CNn2cnnn2
|
|
934
|
Cc1cc(c(o1)C)c2csc(n2)NC(=O)C
|
|
935
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
936
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
937
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
938
|
C1CCC(C(C1)C2CCCCC2C3=NC3)C4=NC4
|
|
939
|
CCOc1c(nc(o1)C#N)C
|
|
940
|
Cn1cc(nc(c1=O)Nc2ccccc2)Br
|
|
941
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
942
|
c1ccc2c(c1)c3c([nH]2)cccc3O
|
|
943
|
c1ccc(cc1)c2c3c(c(nn2)[O-])nc[nH]3
|
|
944
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
945
|
c1ccc(cc1)NC(=O)c2nnc(s2)C(F)(F)F
|
|
946
|
C(c1c(non1)N)c2c(non2)N
|
|
947
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
948
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
949
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
950
|
CCO/C=CCC1(CCCC1)O
|
|
951
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
952
|
Cc1cc(no1)CSc2ccccn2
|
|
953
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
954
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
955
|
c1ccc(cc1)COC2=CCCCC2
|
|
956
|
CCCN(CCC)CC#CC1=CC=CCC1
|
|
957
|
CC#CC1CCC(S1)C#CC#CC=C
|
|
958
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
959
|
|
|
960
|
CCOc1nc(sn1)OCC
|
|
961
|
c1ccc(cc1)CNc2ncco2
|
|
962
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
963
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
964
|
c1cc(ncc1C#N)Sc2nccs2
|
|
965
|
Cc1cc(n(n1)C)NS(=O)(=O)c2c(n(cn2)C)Cl
|
|
966
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
967
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
968
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
969
|
C[C@@H](Cc1ccco1)NS(=O)(=O)C
|
|
970
|
CC1=C([C@@H](n2c(ncn2)N1)c3ccoc3)C(=O)N
|
|
971
|
c1cc(ccc1C2=C/C(=C/3C=C(C=CC3=O)Cl)/ON2)F
|
|
972
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
973
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
974
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
975
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
976
|
Cnccs/c1=NC(=O)Nc2ccccc2
|
|
977
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
978
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
979
|
CCCc1nc([nH]n1)c2ccccc2O
|
|
980
|
C(#N)c1c(non1)Oc2c(non2)C#N
|
|
981
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
982
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
983
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
984
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
985
|
|
|
986
|
c1cc(cnc1)CNCCc2ccco2
|
|
987
|
c1ccc(cc1)/C=C/C#Cc2ccccc2
|
|
988
|
CNc1nc(ns1)C23CC4CC(C2)CC(C4)C3
|
|
989
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
990
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
991
|
CNc1nc(ns1)c2cccs2
|
|
992
|
Cn1ccnc1NCc2ccco2
|
|
993
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
994
|
c1cc(cnc1)CCNCc2cscn2
|
|
995
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
996
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
997
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
998
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
999
|
c1[nH]c(=O)c2c(n1)CCN(C2)[C@@H]3CCOC3=O
|
|
1000
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
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