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]