text
stringlengths 3
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|
|---|
[O-1] |
[\S@@+1] |
[SH1] |
[/O-1] |
[\B] |
[Br] |
[125I] |
[131I] |
[127I] |
[/S@+1] |
[=NH1+1] |
[3H] |
[#Ring2] |
[N-1] |
[=PH1] |
[\CH1] |
[B] |
[=N+1] |
[/Si] |
[/CH2-1] |
[#NH0] |
[SnH2] |
[/N@@+1] |
[Si-1] |
[CH1] |
[\123I] |
[/NH0] |
[=CH0] |
[17O] |
[/P] |
[/O+1] |
[/I] |
[N@@] |
[Branch1] |
[/C] |
[124I] |
[/N+1] |
[/123I] |
[/P@@] |
[Sn+2] |
[N@+1] |
[SH0] |
[O+1] |
[C-1] |
[/S@@+1] |
[32P] |
[#Branch1] |
[S@@H1] |
[\B-1] |
[SnH6+3] |
[P@H1] |
[\C@@] |
[33P] |
[=S@@] |
[14CH3] |
[=SH1] |
[CH1+1] |
[123I] |
[C@@H1] |
[C+1] |
[135I] |
[=Ring1] |
[P@@H1] |
[\NH1] |
[=Branch1] |
[#C-1] |
[/NH1] |
[/F] |
[/131I] |
[/S+1] |
[11CH3] |
[Sn+1] |
[/125I] |
[/OH0] |
[76Br] |
[\S@] |
[PH4] |
[18OH1] |
[Sn@@H1] |
[/B-1] |
[/CH1-1] |
[N+1] |
[/C-1] |
[\CH0] |
[=P] |
[\O-1] |
[I+3] |
[\F] |
[=P@] |
[/S] |
[BH3-1] |
[B@@H1-1] |
[=Branch2] |
[\Sn] |
[C@@] |
[N] |
[\I] |
[\C@@H1] |
[Cl] |
[P@] |
End of preview. Expand
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1,863,903,840 samples.
Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the ZINC-20 dataset found at https://zinc20.docking.org/tranches/home/ with react set to standard and purchasability set to annotated. ZINC-20 compounds collected in 17 August 2023.
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