sequence string | tokenized_sequence list |
|---|---|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O] | [
1,
420,
876,
420,
193,
420,
193,
420,
193,
1011,
180,
876,
420,
420,
180,
420,
238,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
420,
193,
1011,
180,
780,
180,
420,
238,
856,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
420,
397,
180,
780,
180,
420,
238,
856,
193,
1011,
181,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
420,
397,
193,
804,
420,
180,
420,
238,
420,
193,
420,
193,
420,
193,
1011,
180,
193,
1011,
19,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
397,
420,
396,
420,
193,
1011,
13,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
420,
193,
1011,
180,
664,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
420,
397,
420,
664,
193,
1011,
13,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
397,
420,
664,
420,
193,
1011,
13,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | [
1,
876,
193,
397,
420,
876,
420,
876,
420,
193,
420,
193,
420,
193,
1011,
180,
396,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][#C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O] | [
1,
804,
19,
420,
193,
420,
193,
420,
397,
398,
876,
420,
420,
180,
420,
238,
876,
193,
1011,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C] | [
1,
420,
420,
180,
420,
238,
420,
397,
420,
876,
420,
397,
420,
420,
420,
420,
420,
420,
420,
420,
193,
420,
180,
420,
238,
420,
193,
420,
1011,
13,
397,
420,
420,
420,
1011,
804,
397,
420,
566,
420,
397,
420,
876,
420,
420,
10... |
[C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][=Branch2][C][O][C][=Branch1][C][=O][N][C][=N][Ring1][N] | [
1,
420,
804,
420,
180,
420,
238,
876,
420,
420,
193,
420,
193,
420,
397,
181,
420,
876,
420,
180,
420,
238,
804,
420,
227,
1011,
804,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][=N][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][Ring1][C][O][=C][Ring1][=N][O] | [
1,
420,
420,
227,
420,
193,
397,
14,
876,
907,
180,
420,
238,
397,
420,
876,
876,
420,
397,
1011,
420,
876,
193,
1011,
227,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | [
1,
804,
19,
420,
193,
420,
193,
420,
193,
1011,
180,
804,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][#C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
804,
19,
420,
193,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][=Branch1][#Branch2][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
420,
180,
14,
227,
804,
420,
420,
420,
420,
420,
1011,
180,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | [
1,
804,
420,
180,
420,
238,
420,
193,
420,
193,
397,
181,
420,
397,
420,
566,
397,
420,
566,
566,
420,
193,
1011,
14,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] | [
1,
804,
420,
180,
420,
238,
420,
397,
181,
804,
420,
420,
420,
420,
420,
1011,
180,
420,
420,
804,
398,
1011,
1011,
420,
420,
420,
420,
180,
420,
238,
420,
193,
420,
193,
397,
420,
566,
420,
193,
1011,
13,
420,
420,
1012,
1011,
... |
[N][#C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][O][Cl] | [
1,
804,
19,
420,
193,
397,
420,
458,
420,
397,
420,
458,
193,
397,
420,
458,
420,
397,
1011,
420,
27,
193,
1011,
876,
458,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][=N][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] | [
1,
804,
420,
227,
420,
397,
420,
804,
193,
420,
193,
420,
193,
420,
1011,
180,
227,
1011,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2] | [
1,
420,
420,
193,
420,
193,
420,
397,
181,
1056,
397,
420,
804,
180,
420,
238,
238,
193,
1011,
14,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | [
1,
804,
804,
420,
180,
420,
238,
420,
193,
420,
193,
420,
193,
1011,
180,
804,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][N+1][=C][C][=C][Branch1][N][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=N] | [
1,
420,
780,
193,
420,
193,
397,
804,
420,
193,
420,
216,
397,
420,
420,
420,
193,
1011,
13,
420,
193,
1011,
227,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O] | [
1,
420,
420,
804,
420,
227,
420,
397,
420,
458,
227,
420,
397,
13,
804,
420,
397,
420,
420,
420,
227,
1011,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O] | [
1,
420,
420,
804,
397,
1011,
420,
420,
420,
227,
420,
397,
420,
458,
227,
420,
397,
13,
804,
420,
397,
420,
420,
420,
227,
1011,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N] | [
1,
420,
420,
804,
420,
227,
420,
397,
420,
458,
227,
420,
397,
398,
804,
397,
1011,
420,
420,
420,
420,
227,
1011,
804,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O] | [
1,
420,
876,
420,
193,
397,
420,
458,
420,
193,
420,
397,
420,
458,
193,
1011,
398,
420,
180,
420,
238,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][Cl] | [
1,
804,
420,
193,
397,
420,
458,
420,
397,
420,
458,
227,
420,
397,
180,
420,
180,
420,
238,
876,
193,
1011,
876,
458,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][Branch1][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
420,
420,
397,
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193,
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193,
420,
193,
1011,
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2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | [
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | [
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3,
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3,
3,
3,
3,
3,
3,
3,
3,... |
[C][C][C][S][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C] | [
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1012,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[Cl][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][#Branch2] | [
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181,
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397,
420,
458,
397,
420,
458,
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227,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
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1011,
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2,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | [
1,
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14,
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193,
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804,
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566,
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566,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][C] | [
1,
420,
420,
420,
420,
420,
180,
420,
238,
420,
420,
180,
420,
238,
420,
420,
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420,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
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420,
804,
420,
180,
420,
238,
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193,
420,
193,
420,
193,
1011,
180,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] | [
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780,
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2,
3,
3,
3,
3,
3,
3,
3,
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3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O] | [
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3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | [
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1012,
1011,
420,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][Branch1][C][I][=C][Ring1][S] | [
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420,
420,
804,
397,
1011,
420,
420,
420,
420,
420,
397,
420,
664,
1... |
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2] | [
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][=O] | [
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3,
3,
3,
3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | [
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420,
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3,
3,
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3,
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3,
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3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] | [
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420,
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193,
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566,
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193,
1011,
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1012,
1011,
1012,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][=C][Ring1][=N] | [
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397,
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1011,
227,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | [
1,
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420,
180,
420,
238,
804,
420,
193,
420,
193,
397,
420,
396,
420,
193,
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3,
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3,
3,
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3,
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3,
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3,
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3,
3,
3,
3,
3,
3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | [
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420,
180,
420,
238,
804,
420,
193,
420,
193,
420,
397,
420,
458,
193,
1011,
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2,
3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[O][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | [
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397,
19,
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420,
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420,
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420,
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420,
193,
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420,
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420,
193,
420,
193,
1011,
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876,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] | [
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193,
397,
180,
420,
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420,
238,
876,
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193,
420,
193,
1011,
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780,
180,
420,
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856,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[F][C][=C][C][=C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N] | [
1,
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193,
420,
193,
397,
181,
420,
193,
420,
804,
420,
420,
1011,
180,
420,
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1011,
804,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][N][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Ring2][Ring1][Ring2] | [
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420,
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398,
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804,
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193,
420,
193,
420,
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180,
1056,
420,
193,
420,
193,
420,
193,
1011,
180,
1011,
193,
420,
1012,
1011,
1012,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] | [
1,
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804,
397,
420,
420,
420,
180,
420,
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804,
420,
193,
420,
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397,
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420,
193,
397,
420,
458,
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1011,
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420,
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1011,
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2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
420,
420,
420,
420,
420,
420,
420,
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180,
804,
420,
180,
420,
238,
804,
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420,
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420,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | [
1,
420,
420,
420,
420,
420,
420,
420,
420,
180,
420,
238,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | [
1,
420,
876,
420,
193,
420,
193,
420,
397,
420,
458,
193,
1011,
13,
458,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | [
1,
420,
876,
420,
193,
397,
420,
458,
420,
193,
420,
193,
1011,
13,
458,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[S][=C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | [
1,
1056,
193,
227,
420,
193,
420,
193,
397,
420,
396,
420,
193,
1011,
13,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
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3,
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3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C] | [
1,
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193,
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420,
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238,
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238,
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420,
2,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | [
1,
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193,
397,
420,
876,
420,
420,
193,
420,
193,
420,
193,
1011,
180,
420,
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420,
193,
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193,
1011,
180,
1011,
227,
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3,
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3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[N][C][Branch1][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
804,
420,
397,
420,
804,
227,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
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3,
3,
3,
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3,
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3,
3,
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3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][C][C][C][C][C][C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | [
1,
420,
420,
420,
420,
420,
420,
420,
397,
420,
566,
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193,
420,
180,
420,
238,
420,
193,
420,
1011,
13,
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420,
420,
420,
1011,
227,
397,
420,
566,
420,
397,
420,
876,
420,
420,
1012,
1011,
1011,
397,
420,
420,
420,
1012,
... |
[C][C][C][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] | [
1,
420,
420,
420,
420,
420,
804,
420,
227,
420,
193,
397,
420,
804,
804,
193,
804,
193,
1011,
13,
1011,
14,
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3,
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3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | [
1,
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193,
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420,
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420,
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193,
420,
193,
397,
420,
458,
420,
193,
1011,
13,
458,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][S][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C] | [
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1056,
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13,
420,
420,
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420,
420,
420,
420,
420,
397,
420,
420,
420,
2,
3,
3,
3,
3,
3,
3,
3,
3,
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3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | [
1,
804,
420,
180,
420,
238,
420,
193,
397,
420,
458,
420,
193,
420,
193,
1011,
13,
458,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | [
1,
876,
193,
397,
14,
804,
420,
193,
420,
193,
420,
193,
1011,
180,
804,
420,
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420,
193,
397,
420,
458,
420,
397,
420,
458,
193,
1011,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C] | [
1,
420,
420,
180,
420,
238,
804,
420,
193,
420,
193,
397,
420,
876,
420,
397,
420,
420,
193,
1011,
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420,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch1] | [
1,
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420,
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420,
193,
420,
193,
420,
193,
1011,
180,
420,
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420,
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180,
780,
180,
420,
238,
856,
193,
420,
193,
1011,
181,
1012,
1011,
397,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][Branch1][C][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | [
1,
420,
420,
397,
420,
420,
420,
397,
1011,
420,
27,
420,
193,
420,
193,
397,
420,
458,
420,
193,
1011,
13,
2,
3,
3,
3,
3,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] | [
1,
420,
420,
180,
420,
238,
804,
420,
397,
14,
420,
420,
193,
420,
193,
420,
193,
1011,
180,
420,
180,
420,
238,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][Ring1][S] | [
1,
876,
193,
804,
420,
180,
420,
238,
420,
193,
420,
397,
181,
420,
193,
420,
193,
420,
193,
1011,
180,
193,
420,
193,
1011,
804,
1011,
1056,
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
420,
420,
876,
420,
180,
420,
238,
420,
420,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] | [
1,
420,
804,
420,
180,
420,
238,
420,
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193,
397,
14,
420,
193,
420,
193,
420,
193,
1011,
180,
566,
420,
193,
420,
397,
420,
566,
193,
420,
193,
1011,
13,
1012,
1011,
1012,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
420,
420,
876,
420,
180,
420,
238,
420,
397,
1011,
420,
27,
193,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | [
1,
420,
420,
420,
420,
420,
420,
420,
420,
420,
193,
420,
420,
420,
420,
420,
420,
420,
420,
180,
420,
238,
876,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[C][C][C][C][C][C][C][C][O][C][Branch1][C][N][=O] | [
1,
420,
420,
420,
420,
420,
420,
420,
420,
876,
420,
397,
420,
804,
238,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][Branch1][C][C][N][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | [
1,
420,
420,
397,
420,
420,
804,
193,
420,
193,
804,
397,
804,
420,
193,
420,
193,
397,
420,
458,
420,
193,
1011,
13,
420,
193,
420,
193,
420,
193,
1011,
180,
804,
193,
1011,
907,
420,
193,
1012,
1011,
397,
804,
420,
193,
420,
... |
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2] | [
1,
420,
804,
420,
180,
420,
238,
876,
420,
193,
420,
193,
397,
180,
804,
397,
420,
420,
420,
420,
397,
420,
420,
193,
1011,
14,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][S][C][C][Branch1][C][C][=C][Ring1][#Branch2] | [
1,
420,
804,
420,
180,
420,
238,
876,
420,
193,
420,
397,
420,
420,
193,
397,
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1056,
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420,
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420,
420,
193,
1011,
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2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[Br][C][=N][C][Branch1][C][Br][=C][Branch1][C][Br][NH1][Ring1][#Branch1] | [
1,
396,
420,
227,
420,
397,
420,
396,
193,
397,
420,
396,
794,
1011,
13,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C][Ring1][=C][Ring1][=Branch2][O][C][O][Ring1][=Branch2] | [
1,
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420,
193,
420,
193,
420,
180,
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193,
1011,
180,
876,
420,
420,
420,
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420,
193,
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420,
193,
1011,
180,
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420,
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1011,
181,
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420,
876,
1011,
181,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
... |
[C][C][=C][N][=C][N][=C][Ring1][=Branch1] | [
1,
420,
420,
193,
804,
193,
804,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,... |
[N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
804,
420,
420,
420,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3... |
[F][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
1,
566,
420,
420,
420,
420,
193,
420,
193,
420,
193,
1011,
180,
2,
3,
3,
3,
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3... |
[C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | [
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[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] | [
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3,... |
[O][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F] | [
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3,... |
[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
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3... |
[N][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
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3,
3,
3,
... |
[N][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] | [
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[C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][=O] | [
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[C][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring1] | [
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[C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
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[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | [
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[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | [
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[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] | [
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[Cl][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=N] | [
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[Cl][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N] | [
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[Cl][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl] | [
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... |