label
int64 0
220
| SELFIES
stringlengths 0
5.35k
|
|---|---|
112
|
[C] [O] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [C] [Branch2] [Branch1] [Ring1] [N] [Branch2] [Ring1] [Branch1] [C] [C] [C] [N] [C] [C] [C] [Branch1] [=Branch2] [N] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [Ring1] [O] [C] [=C] [C] [=C] [N] [=C] [C] [Branch1] [O] [C] [C] [=N] [N] [Branch1] [C] [C] [C] [=Ring1] [=Branch1] [=N] [C] [Ring1] [N] [=C] [Ring1] [S] [=C] [Ring2] [Ring2] [#Branch1] .[Cl]
|
129
|
[N] [C@H1] [C] [C] [C@H1] [Branch2] [Ring2] [=N] [N] [C] [C] [=C] [Branch2] [Ring1] [O] [N] [C] [=C] [C] [=C] [Branch1] [S] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [#C] [N] [N] [=C] [N] [=C] [Ring1] [Branch1] [N] [=Ring2] [Ring1] [=Branch2] [C] [C] [Ring2] [Ring1] [S]
|
57
|
[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch2] [Ring2] [O] [C] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [C@H1] [Branch1] [C] [F] [C] [C@H1] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [O] [=C] [C] [=C] [C] [=C] [N] [Ring2] [Ring1] [P] [Ring1] [=Branch1]
|
122
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch1] [C] [Branch2] [Ring1] [#Branch2] [C] [=Branch1] [C] [=O] [O] [C] [C] [N] [C] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [N] [C] [C] [C] [C] [Ring2] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [N] .[Cl]
|
119
|
[N] [#C] [C] [=C] [C] [=C] [Branch2] [Ring1] [N] [N] [C] [C@H1] [Branch1] [Ring1] [C] [N] [C@@H1] [Branch1] [=N] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [=C] [Ring1] [#Branch1] [F] [C] [C] [Ring1] [S] [=O] [C] [=N] [Ring2] [Ring1] [#Branch1]
|
185
|
[O] [=C] [Branch2] [Ring1] [Ring2] [N] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [N] [C] [=N] [C] [=N] [Ring1] [Branch1] [C] [=C] [Ring1] [N] [C] [=C] [C] [Branch2] [Ring1] [C] [N] [Branch1] [#Branch1] [C] [C] [C] [C] [Ring1] [Ring1] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [=N] [C] [=N] [Ring1] [P]
|
209
|
[C] [N] [C] [=C] [Branch2] [Branch1] [N] [C] [C] [C] [C] [N] [Ring1] [Branch1] [C] [=N] [C] [=C] [C] [Branch1] [O] [C] [=N] [O] [C] [=Branch1] [C] [=O] [NH1] [Ring1] [=Branch1] [=N] [C] [Branch1] [N] [C] [=C] [N] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [=C] [Ring2] [Ring1] [Ring1] [N] [Ring2] [Ring1] [=Branch1] [C] [C@H1] [C] [C] [C@H1] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [N] [=N] [Ring2] [Ring2] [Branch2]
|
139
|
[C] [C] [=C] [C] [Branch1] [=Branch2] [O] [C@@H1] [C] [C] [O] [C] [Ring1] [Branch1] [=C] [C] [Branch1] [S] [C] [=Branch1] [C] [=O] [N] [C] [=N] [C] [Branch1] [C] [C] [=C] [S] [Ring1] [=Branch1] [=N] [Ring2] [Ring1] [Branch1]
|
132
|
[O] [=C] [Branch2] [Ring1] [#C] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [Ring1] [C] [C] [=N] [NH1] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1] [=C] [Ring2] [Ring1] [C] [N] [C] [C] [N] [Branch1] [Ring2] [C] [C] [O] [C] [C] [Ring1] [=Branch2]
|
28
|
[C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [C] [F] [=C] [Branch1] [C] [F] [C] [Branch2] [Ring2] [=Branch1] [C] [=C] [N] [=C] [C] [=C] [Branch1] [O] [C] [C] [=N] [N] [Branch1] [C] [C] [C] [=Ring1] [=Branch1] [C] [Branch1] [=Branch2] [O] [C@H1] [C] [C] [O] [C] [Ring1] [Branch1] [=N] [N] [Ring2] [Ring1] [Branch1] [Ring2] [Ring1] [C] [=C] [Ring2] [Ring1] [=N]
|
129
|
[C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch2] [Branch1] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [Branch2] [Ring1] [#C] [N] [C] [=N] [C] [=C] [Branch2] [Ring1] [Ring2] [S] [C] [C] [=N] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [O] [Ring1] [=Branch2] [S] [Ring1] [S] [C] [Ring2] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring1] [S]
|
147
|
[C] [N] [Branch1] [C] [C] [C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch1] [C] [=N] [C] [=C] [Branch1] [=N] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2] [O] [Ring1] [=N] [C] [=C] [Ring2] [Ring1] [Ring1]
|
180
|
[C] [C@@H1] [C] [N] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [C] [N] [Ring1] [P] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch1] [Branch2] [N] [C] [C] [C] [C] [Ring1] [Branch1] [=C] [Ring1] [O]
|
80
|
[C] [=C] [C] [=C] [Branch2] [Ring2] [O] [C] [N] [C] [=C] [N] [=C] [Ring1] [Branch1] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [N] [Branch1] [=C] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [Ring1] [=Branch2] [C] [C] [Ring2] [Ring1] [Branch1] [C] [=C] [Ring2] [Ring1] [P]
|
8
|
[C] [O] [C] [=C] [C] [Branch2] [Branch1] [Ring2] [C] [=Branch1] [C] [=O] [C] [=C] [S] [C] [Branch2] [Ring2] [Branch1] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch2] [N] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [=C] [Ring2] [Ring1] [Branch2] [=N] [Ring2] [Ring1] [=N] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring2] [Ring2] [#Branch1] [O] [C]
|
84
|
[C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C@@H1] [Branch1] [C] [O] [C] [N] [C] [C] [C] [Branch1] [S] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [C] [C] [Ring1] [#C] [=C] [NH1] [C] [=Branch1] [C] [=O] [C] [Ring2] [Ring1] [=N] [=C] [Ring2] [Ring1] [P]
|
28
|
[C] [C] [Branch1] [C] [C] [Branch1] [Ring1] [C] [O] [N] [C] [=C] [Branch2] [Ring1] [P] [C] [=Branch1] [C] [=O] [C] [=C] [N] [=C] [C] [Branch2] [Ring1] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=N] [Ring1] [#Branch1] [=C] [Ring1] [P] [C] [=C] [N] [=C] [Branch1] [C] [N] [N] [=C] [Ring1] [#Branch1] [Ring2] [Ring1] [=N]
|
152
|
[N] [#C] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [N] [C] [C] [C] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [=N] [=C] [Ring2] [Ring1] [#Branch2]
|
144
|
[O] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [C] [N] [C] [=N] [C] [=C] [C] [=C] [C] [=N] [C] [Branch1] [C] [O] [=C] [Ring1] [#Branch1] [N] [Branch1] [Branch2] [C] [C] [C] [C] [C] [Ring1] [Branch1] [C] [Ring1] [#C] [=N] [Ring2] [Ring1] [Ring1] [N] [=C] [Ring2] [Ring1] [#Branch2]
|
212
|
[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [P] [C] [=C] [C] [=C] [Branch1] [#Branch1] [O] [C] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=N] [Ring2] [Ring1] [Ring2]
|
174
|
[C] [C] [=C] [N] [=C] [Branch1] [#Branch2] [N] [C] [=C] [C] [=N] [N] [Ring1] [Branch1] [C] [N] [=C] [Ring1] [=N] [C] [C] [=C] [N] [Branch1] [Ring2] [C] [=Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [Branch2] [Ring1] [Ring2] [C@H1] [Branch1] [Ring1] [C] [O] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [C] [Ring2] [Ring1] [C]
|
60
|
[O] [=C] [Branch2] [Ring1] [Branch2] [C] [N] [C] [C] [N] [Branch1] [=N] [C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [C] [Ring1] [=C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C@H1] [Ring1] [=Branch2] [C] [F]
|
154
|
[C] [C] [C@@H1] [C] [C@H1] [Branch2] [Ring2] [=C] [N] [Branch2] [Ring1] [=C] [C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [=C] [C] [N] [=N] [N] [Branch1] [Ring2] [C] [C] [O] [N] [=Ring1] [Branch2] [C] [=N] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [C] [=C] [Ring1] [#Branch2] [N] [Ring2] [Ring2] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [C] [C]
|
27
|
[C] [C] [=C] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=C] [Branch1] [#Branch2] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [Ring1] [=N] [N] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring2] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [O]
|
31
|
[C] [C] [C] [C] [Branch2] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [=N] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=C] [Ring1] [=C] [N] [C] [=C] [Branch2] [Ring1] [Branch1] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [C] [=C] [Ring1] [#Branch2] [O] [C] [C] [=C] [C] [=C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Ring1] [=N] [Ring2] [Ring1] [N]
|
122
|
[C] [N] [Branch2] [Ring1] [Ring2] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [C@@H1] [C] [C] [C] [C] [C@@H1] [Ring1] [=Branch1] [N] [C] [C] [C] [C] [Ring1] [Branch1]
|
173
|
[C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch2] [Branch1] [Branch2] [C] [C] [N] [Branch2] [Ring2] [=N] [C] [C] [C] [Branch2] [Ring1] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [O] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C] [C] [Ring2] [Ring1] [#C] [O] [Ring2] [Ring2] [Branch2]
|
161
|
[C] [C] [N] [Branch1] [Ring1] [C] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [C] [N] [C] [=N] [C] [Branch1] [N] [N] [C] [C] [N] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [=N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring2] [Ring1] [C] [Ring1] [#Branch1]
|
137
|
[F] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [C] [=Branch1] [C] [=S] [N] [C] [C] [N] [=C] [Ring1] [#Branch2] [Ring1] [Branch1]
|
152
|
[O] [=C] [Branch2] [Ring2] [C] [N] [C] [C] [C@H1] [C] [C] [C@H1] [Branch1] [Ring2] [C] [Ring1] [#Branch1] [N] [Ring1] [=Branch1] [C] [C] [=C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [C] [Ring1] [#Branch1] [=C] [Ring1] [O] [N] [C] [C] [N] [Branch1] [P] [C] [=Branch1] [C] [=O] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [Cl] [C] [C] [Ring1] [S]
|
207
|
[C] [C] [Branch1] [C] [C] [C] [C] [C] [Branch2] [=Branch1] [P] [C] [N] [C] [C] [N] [Branch2] [=Branch1] [Ring2] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch2] [C] [=Branch1] [C] [=O] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [O] [O] [C] [C] [C] [C] [C] [O] [C] [Ring1] [=Branch1] [C] [Branch1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [=C] [Ring1] [P] [C] [Branch1] [#C] [O] [C] [=C] [N] [=C] [NH1] [C] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [=C] [Ring2] [Ring2] [#Branch1] [C] [C] [Ring2] [Ring2] [=N] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] [C] [Ring2] [Branch1] [#C]
|
137
|
[C] [C] [C] [C] [C] [N] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [C] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [N] [C] [Branch1] [C] [C] [=O] [C] [=C] [Ring1] [O] [C] [=C] [Ring1] [P]
|
214
|
[C] [N] [Branch1] [C] [C] [C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Branch1] [=Branch2] [N] [C] [=C] [C] [Branch2] [Ring2] [Branch2] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch2] [Ring1] [#Branch1] [N] [C] [C] [N] [C] [=Branch1] [N] [=C] [C] [=C] [Ring1] [Branch1] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [Ring1] [=N] [=O] [=C] [Ring2] [Ring1] [Branch1] [C] [O] [=C] [N] [Branch1] [C] [C] [C] [Ring2] [Ring1] [=C] [=O] [N] [=C] [Ring2] [Ring2] [=Branch1]
|
80
|
[O] [=S] [=Branch1] [C] [=O] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [C@H1] [O] [C] [C] [C] [C] [Ring1] [Branch2] [C] [Ring1] [#Branch1] [C] [Ring1] [=Branch1] [C] [C] [N] [Branch1] [#Branch1] [C] [C] [C] [C] [Ring1] [Ring1] [C] [Ring1] [=C] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [Ring1] [P]
|
211
|
[C] [C] [=C] [C] [=C] [Branch1] [Branch2] [N] [N] [=C] [C] [=N] [Ring1] [Branch1] [C] [Branch2] [Ring2] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C@H1] [Ring1] [=Branch1] [C] [N] [C] [=C] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=N] [Ring1] [#Branch1] [=N] [Ring1] [N] [=C] [Ring2] [Ring1] [S]
|
120
|
[C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch2] [Ring1] [=C] [C] [=N] [C] [Branch1] [#C] [N] [C] [C] [C] [C] [C] [Branch1] [Ring2] [C] [Ring1] [#Branch1] [O] [Ring1] [=Branch1] [=C] [S] [C] [=C] [C] [Ring1] [Branch1] [=N] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [#Branch1]
|
182
|
[N] [C] [Branch2] [Ring2] [Branch1] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch2] [C] [N] [=C] [C] [Branch1] [C] [Br] [=C] [C] [=C] [N] [Ring1] [#Branch1] [C] [=Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [=Branch1] [C] [C] [C] [Ring2] [Ring1] [#Branch2]
|
196
|
[C] [#C] [C] [N] [C] [C] [C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [Branch2] [Ring1] [#C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [=C] [O] [C] [=C] [C] [=C] [Branch1] [Ring1] [O] [C] [C] [=C] [Ring1] [Branch2] [C] [=C] [Ring1] [#C] [C] [C] [Ring2] [Ring1] [N]
|
176
|
[C] [C] [=N] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch2] [N] [N] [=C] [C] [Branch2] [Ring1] [=N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [C] [N] [C] [C] [O] [C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [=N] [NH1] [Ring1] [S] [=C] [Ring2] [Ring1] [#Branch1] [N] [C] [=C] [Ring2] [Ring1] [=C] [NH1] [Ring2] [Ring1] [P]
|
78
|
[C] [N] [C] [C] [C] [N] [Branch2] [Ring1] [Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [O] [C] [C] [=Branch1] [C] [=O] [N] [Ring1] [#Branch1] [C] [C] [Ring2] [Ring1] [Ring1]
|
214
|
[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [C@@H1] [C] [N] [C] [=C] [Branch1] [=Branch1] [C] [Branch1] [C] [N] [=O] [C] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [=N] [=N] [N] [Ring2] [Ring1] [Branch1] [C@H1] [Ring2] [Ring1] [=Branch2] [C] [Ring2] [Ring1] [N]
|
10
|
[C] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [#Branch2] [N] [Branch1] [C] [C] [C] [=C] [C] [=N] [C] [Branch2] [Ring1] [#Branch2] [N] [C] [=C] [C] [=C] [Branch1] [#C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [=C] [Ring1] [S] [=N] [Ring2] [Ring1] [#Branch1] [=C] [C] [Ring2] [Ring1] [#C] [=N] [N] [Ring2] [Ring2] [C] [C]
|
91
|
[O] [=C] [Branch1] [O] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [=C] [Ring1] [Branch2]
|
100
|
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [S] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [Branch2] [C@H1] [Branch1] [C] [O] [C] [N] [C] [Branch2] [Ring1] [C] [C] [=C] [C] [=C] [C] [Branch1] [Branch2] [N] [C] [=C] [C] [=N] [Ring1] [Branch1] [=C] [Ring1] [O] [C] [C] [Ring1] [=C]
|
94
|
[C] [C] [=C] [C] [=C] [Branch2] [Branch1] [=Branch2] [C] [N] [C] [=Branch1] [C] [=O] [C] [N] [C@] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Branch2] [Ring1] [Branch2] [C@H1] [Branch1] [S] [O] [C] [=N] [C] [Branch1] [C] [C] [=C] [C] [Branch1] [C] [C] [=N] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring2] [Ring1] [#C] [C] [=C] [Ring2] [Ring2] [=Branch1]
|
137
|
[O] [=C] [Branch2] [Ring1] [S] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Branch1] [=N] [/C] [=C] [/S] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [=Branch1] [=O] [C] [=C] [C] [Ring1] [=C] [=C] [Ring2] [Ring1] [C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
93
|
[C] [C] [Branch1] [C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [=C] [C] [=C] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [=C] [Ring1] [N] [C] [Branch1] [C] [N] [=N] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [#Branch1]
|
8
|
[C] [C] [N] [Branch1] [P] [C] [=C] [C] [=C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C] [=C] [Ring1] [#Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch2]
|
28
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch2] [Ring1] [O] [C] [=C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=N] [C] [=N] [O] [C] [Branch1] [C] [N] [=C] [Ring1] [S] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [S]
|
68
|
[O] [=C] [Branch2] [Ring1] [#C] [N] [C] [C] [=C] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [C] [Ring1] [P] [=O] [C] [C] [=N] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Ring1] [O]
|
39
|
[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [Branch2] [Ring1] [=C] [C] [C] [O] [C] [=C] [C] [=C] [C] [Branch1] [P] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [S] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1]
|
154
|
[C] [C] [Branch1] [C] [C] [N] [C] [Branch2] [Branch1] [Ring2] [C] [=Branch1] [C] [=O] [N] [C@] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [O] [C] [Branch1] [C] [O] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F]
|
59
|
[C] [N] [C] [=C] [Branch2] [Ring1] [S] [C] [=C] [C] [=N] [C] [=C] [N] [=C] [Ring1] [=Branch1] [C] [Branch1] [#C] [O] [C] [C] [C] [N] [C] [C] [C] [Ring1] [=Branch1] [Branch1] [C] [F] [F] [=N] [Ring2] [Ring1] [Ring2] [C] [=N] [Ring2] [Ring1] [=Branch2]
|
67
|
[C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [N] [=C] [Branch2] [Ring1] [C] [C] [=C] [C] [=C] [Branch1] [Branch2] [/C] [=C] [/C] [=Branch1] [C] [=O] [O] [C] [=C] [Ring1] [O] [NH1] [C] [=Ring1] [S] [N] [Branch1] [Ring2] [C] [C] [C] [C] [Ring2] [Ring1] [Branch2] [=O]
|
142
|
[C] [C] [C] [C] [=N] [N] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [NH1] [C] [Branch2] [Ring2] [Branch1] [C] [=C] [C] [Branch2] [Ring1] [=Branch1] [C] [Branch1] [Ring1] [O] [C] [C] [=C] [C] [=C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C] [=C] [Ring1] [#Branch2] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [O] [C] [C] [=N] [C] [Ring2] [Ring1] [P] [=Ring2] [Ring1] [=N]
|
136
|
[Cl] .[N] [C] [Branch1] [C] [N] [=N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [Branch1] [#Branch1] [C] [C] [C] [C] [Ring1] [Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [=C]
|
105
|
[N] [C] [C] [C] [N] [C] [=C] [Branch2] [Ring1] [N] [C] [=C] [Branch1] [#C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [S] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [Ring2] [Ring1] [#Branch2]
|
158
|
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [N] [=O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Ring1] [C] [O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=Branch1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [N] [=O] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch2] [=N] [=C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch2] [O] [#C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=N] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [C] [=Branch1] [C] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=Branch1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [N] [=O] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [C]
|
115
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [N] [Branch1] [=C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [C] [Ring1] [#Branch1] [C] [C] [Ring1] [#C] [C] [=Branch1] [C] [=O] [N] [O] [C] [=C] [Ring2] [Ring1] [N]
|
118
|
[C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [N] [=C] [NH1] [C] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [N] [C@@H1] [C] [C] [N] [Branch1] [=C] [C] [C] [=C] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [Branch2] [C] [C@@H1] [Ring1] [#C] [F]
|
166
|
[C] [C] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch2] [C] [C] [=C] [C] [Branch2] [Ring1] [Ring2] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@H1] [Ring1] [#Branch2] [O] [=C] [Branch1] [=Branch1] [C] [O] [C] [C] [O] [C] [=C] [Ring2] [Ring1] [=Branch1] [Cl] [C] [=C] [Ring2] [Ring1] [=C]
|
210
|
[C] [C] [N] [Branch2] [Ring2] [N] [C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [C] [=C] [Ring1] [#Branch2] [N] [C] [=C] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [Branch1] [C] [C] [N] [=C] [Ring1] [#Branch1] [Ring1] [=C] [C] [=Branch1] [C] [=O] [C] [N] [Branch1] [C] [C] [C]
|
211
|
[C] [O] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [=Branch2] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [Ring1] [#Branch1] [C] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [N]
|
205
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Branch1] [Ring2] [C] [Branch1] [=N] [C] [=C] [C] [=C] [Branch1] [Ring1] [O] [C] [C] [=C] [Ring1] [Branch2] [N] [C] [=Branch1] [C] [=N] [N] [Branch2] [Ring1] [#Branch1] [C] [C] [C] [N] [Branch1] [=N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [=C] [C] [Ring2] [Ring1] [N] [=O] [C] [=C] [Ring2] [Ring2] [Ring1]
|
84
|
[C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=N] [C] [Branch2] [Ring1] [P] [N] [N] [=C] [Branch1] [P] [C] [C] [=C] [Branch1] [C] [F] [C] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [Branch2] [F] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring2] [Ring1] [Ring1] [=N] [C] [Branch1] [C] [N] [=C] [Ring2] [Ring1] [#Branch2] [Ring2] [Ring1] [#C]
|
164
|
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2] [Ring1] [=Branch2] [N] [C] [=Branch1] [C] [=O] [C] [N] [C] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [N] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [Ring1] [C] [#N] [C] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
70
|
[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [C] [N] [Branch2] [Ring1] [=C] [C] [C] [C] [O] [C] [Branch2] [Ring1] [Ring1] [C] [C] [N] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [=N] [O] [Ring1] [P] [C] [C] [Ring2] [Ring1] [Branch2]
|
136
|
[C] [C] [C] [C] [N] [Branch2] [Ring1] [#C] [C] [C] [C@H1] [C] [C] [C] [N] [Ring1] [Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1] [C] [C] [Ring2] [Ring1] [#Branch2]
|
46
|
[C] [C] [=N] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch2] [Ring1] [=C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring2] [Ring1] [=C]
|
95
|
[C] [N] [C] [=Branch1] [C] [=N] [N] [C@] [Branch1] [C] [C] [Branch2] [Ring1] [=C] [C] [S] [C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=N] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [N] [=C] [C] [=Ring1] [P] [F] [C] [S] [Ring2] [Ring1] [#Branch2] [=Branch1] [C] [=O] [=O]
|
84
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Branch1] [=Branch2] [C@@H1] [Branch1] [C] [C] [N] [C@@H1] [C] [C] [C@@H1] [Branch2] [Ring2] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring2] [Ring1] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [Ring2] [Ring1] [N] [C] [=C] [Ring2] [Ring2] [Branch1]
|
190
|
[C] [O] [C] [=C] [C] [Branch2] [Ring1] [S] [C] [N] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [Cl] [=C] [C] [=C] [Ring2] [Ring1] [=Branch2] [O] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [=Branch1] [=O]
|
35
|
[O] [=C] [N] [C] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [O] [C] [C] [N] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [=N]
|
126
|
[C] [O] [C] [=C] [C] [Branch2] [Ring1] [Ring1] [C] [=Branch1] [C] [=O] [N] [C] [C@@H1] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [=N] [NH1] [C] [=Ring1] [Branch1]
|
130
|
[C] [O] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [O] [N] [C] [=N] [C] [Branch1] [=C] [N] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=N] [C] [=C] [Ring1] [#C] [C] [#N] [=C] [Ring2] [Ring1] [Branch2]
|
130
|
[C] [C] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [=C] [N] [=C] [Branch2] [Ring1] [Ring1] [N] [C] [=C] [N] [=C] [Ring1] [Branch1] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [N] [=C] [Ring2] [Ring1] [C] [N] [Ring2] [Ring1] [Branch2] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1]
|
48
|
[C] [C@@H1] [O] [C] [=Branch1] [C] [=O] [C@H1] [C] [=C] [C] [C] [C] [C] [C@@H1] [Ring1] [=Branch1] [C@@H1] [Branch2] [Ring1] [=Branch1] [C@@H1] [C] [C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [N+1] [Ring1] [#Branch1] [Branch1] [C] [C] [O] [Ring1] [O] [C@@H1] [Ring2] [Ring1] [=Branch2] [Ring2] [Ring1] [Branch1] .[I-1]
|
167
|
[C] [C] [=C] [C] [Branch2] [Ring1] [=Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [S] [Ring1] [=Branch2] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [Ring2] [O] [C] [C] [Branch1] [C] [O] [C] [N] [C] [=Branch1] [C] [=O] [C] [O]
|
64
|
[C] [N] [C] [C] [C] [Branch2] [Ring2] [O] [N] [Branch1] [=N] [C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=N] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [=C] [Branch1] [N] [O] [C] [C] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [=N] [C] [C] [Ring2] [Ring1] [S]
|
108
|
[N] [#C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch2] [Ring1] [Ring1] [C] [C] [=C] [C] [=C] [C] [Branch1] [Branch2] [C] [=N] [N] [=C] [O] [Ring1] [Branch1] [=C] [Ring1] [O] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
167
|
[C] [C] [C] [S] [C] [Branch2] [Ring1] [#C] [C] [=Branch1] [C] [=O] [C] [C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Branch1] [=Branch2] [O] [C] [C@@H1] [Branch1] [C] [O] [C] [O] [C] [Branch1] [C] [C] [=C] [Ring1] [=C] [=C] [C] [=Ring2] [Ring1] [#Branch1] [C] [C] [Branch1] [Branch1] [C] [C] [Ring1] [=Branch1] [C] [C] [Ring1] [Branch1]
|
25
|
[C] [C] [=N] [C] [=C] [C] [=C] [Ring1] [=Branch1] [NH1] [C] [=C] [C] [Branch1] [Branch2] [O] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=C]
|
32
|
[C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Branch1] [Ring1] [C] [C] [=Branch1] [C] [=O] [C] [N] [N] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [C] [C] [C@H1] [Branch2] [Ring1] [Ring1] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [N] [C] [=C] [Ring1] [Branch2] [C@@H1] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring2] [Branch1]
|
146
|
[C] [O] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [Branch2] [C] [N] [C] [=Branch1] [C] [=O] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [NH1] [Ring1] [O] [=C] [Ring2] [Ring1] [Branch1]
|
52
|
[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [N] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Branch1] [=C] [C] [=N] [N] [=C] [C] [=C] [C] [=C] [N] [Ring1] [=Branch2] [Ring1] [=Branch1] [N] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [#C]
|
11
|
[C] [O] [C] [=C] [C] [=C] [C] [Branch2] [Branch1] [=Branch1] [C] [=C] [Branch1] [C] [C] [N] [Branch1] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [F] [C] [=N] [C] [Branch2] [Ring1] [Ring2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [C] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1] [=C] [N] [Ring2] [Ring1] [C] [C] [Ring2] [Ring1] [#C] [=O] [=C] [Ring2] [Ring2] [=Branch1]
|
99
|
[C] [O] [C] [=C] [C] [Branch2] [Ring2] [#Branch1] [C] [=N] [N] [Branch2] [Ring1] [Ring1] [C] [C] [C] [N] [Branch1] [=Branch2] [C] [C] [C] [O] [C] [C] [Ring1] [=Branch1] [C] [C] [Ring1] [N] [C] [=N] [C] [=N] [C] [Branch1] [C] [N] [=C] [Ring2] [Ring1] [=Branch1] [Ring1] [#Branch1] [=C] [C] [=C] [Ring2] [Ring1] [N] [N] [C] [=Branch1] [C] [=O] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Ring1] [=Branch2] [C]
|
13
|
[C] [N] [C] [=Branch1] [C] [=O] [C] [Branch2] [Ring1] [Ring1] [O] [C] [C] [=C] [C] [=C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C] [=C] [Ring1] [#Branch2] [=C] [Branch1] [=Branch2] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring2] [Ring1] [=N]
|
47
|
[C] [S] [C] [=C] [C] [=C] [Branch2] [Branch1] [N] [C] [C] [=N] [C] [Branch2] [Ring2] [S] [C] [=C] [C] [=C] [Branch2] [Ring2] [Ring2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [P] [C] [C] [N] [C] [C@H1] [Branch1] [C] [O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [C] [C] [=C] [Ring2] [Ring1] [N] [=N] [O] [Ring2] [Ring1] [P] [C] [=C] [Ring2] [Ring2] [Branch2]
|
131
|
[C] [=C] [C] [=C] [Branch2] [Ring1] [S] [N] [C] [=N] [C] [=C] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=N] [C] [Branch1] [#Branch2] [O] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [=N] [Ring1] [=N] [S] [Ring2] [Ring1] [C] [N] [=C] [Ring2] [Ring1] [=Branch2]
|
174
|
[N] [C] [=N] [C] [=C] [Branch1] [=Branch2] [C] [=C] [C] [O] [C] [C] [Ring1] [=Branch1] [N] [=C] [Ring1] [N] [C] [=C] [C] [=C] [Branch1] [#C] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [F] [=C] [Ring1] [P]
|
197
|
[C] [C] [Branch1] [C] [C] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch2] [Ring1] [C] [C] [O] [C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [C] [=N] [N] [=N] [N] [Ring1] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [O]
|
76
|
[C] [C@H1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [=C] [Ring1] [#Branch2] [C@@] [Ring1] [=C] [Branch1] [C] [C] [C] [C] [N] [Ring1] [P] [C] [C] [C] [C] [Ring1] [Ring1]
|
106
|
[C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [#C] [C] [C] [=N] [N] [Branch1] [#Branch2] [C] [C@H1] [C] [C] [C] [N] [Ring1] [Branch1] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [=Branch2]
|
58
|
[C] [C] [C] [=C] [Branch2] [Ring1] [#Branch2] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [=C] [C] [=C] [Branch1] [=Branch2] [N] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [=C] [Ring1] [N] [NH1] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring2] [Ring1] [O] [Ring1] [#Branch1]
|
159
|
[N] [C] [=N] [C] [=C] [C] [Branch2] [Ring2] [S] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C] [Ring1] [P] [=O] [C] [=C] [Ring2] [Ring1] [O] [F] [=C] [Ring2] [Ring2] [Ring1] [Cl]
|
0
|
[F] [C] [Branch1] [C] [F] [Branch1] [C] [F] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [=Branch2] [S] [C] [C] [=C] [C] [=N] [N] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [N] [Ring1] [O] [N] [=Ring1] [#C] [=C] [Ring2] [Ring1] [=Branch1]
|
58
|
[C] [C] [Branch1] [C] [C] [Branch2] [Ring2] [Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [P] [N] [Branch1] [#Branch2] [C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [Ring1] [=N] [=O] [C] [C] [C] [C] [C] [C] [Ring2] [Ring1] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [Branch1] [C] [N] [=O]
|
176
|
[C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [C] [N] [Branch2] [Ring2] [#Branch1] [C] [C] [C] [N] [N] [=C] [Branch1] [P] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [#Branch2] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring2] [Ring1] [Ring2] [C] [C] [Ring2] [Ring1] [=N]
|
123
|
[O] [=C] [Branch2] [Ring1] [Ring1] [C] [C] [C] [N] [Branch1] [=Branch2] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [N] [N] [C] [C] [C@@H1] [Branch2] [Ring1] [#C] [C] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [/C] [=C] [/C] [=C] [C] [=C] [Branch1] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [S] [Ring1] [=Branch1] [S] [Ring1] [O] [C] [Ring2] [Ring1] [#Branch1]
|
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