Dataset Viewer
CID
int64 11.1k
100k
| SMILES
stringclasses 2
values | description
stringclasses 2
values | sequence
stringclasses 2
values |
|---|---|---|---|
100,072
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CCO
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This is a description of a molecule: The molecule is an isoflavonoid.
The molecule is a natural product found in Dalbergia candenatensis, Cyclolobium brasiliense, and Dalbergia odorifera with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_478molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_479molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_478molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_480molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
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11,111
|
C1CO1
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This is a description of a molecule: The molecule is a phenol. Generate this molecule graph between <graph> </graph>:
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<graph>g_346molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_347molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_348molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_346molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
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