smiles stringlengths 1 3.53k | augmented bool 2
classes |
|---|---|
C[C]1[C](C)[C](C)[C](CO)[C]1C.C[C]1[C](C)[C](C)[C](CO)[C]1C.[Fe] | false |
CC1C([Si](C)(C)O)C(CCn2cc(C(CO)c3ccccc3)nn2)OC12C(=O)N(c1ccccc1)c1ccc([N+](=O)[O-])cc12 | false |
CCN1CCN(C2=NC(=O)C(=Cc3ccc(O)cc3)S2)CC1 | false |
CCCC(CBr)(CCC)CSc1ncccn1 | false |
C=CCOC(=O)C(C)(C=C)c1ccc(Cl)cc1 | false |
COc1ccc(CC(CN(C)C)C(O)c2ccccc2)cc1 | false |
CCC(C)C(O)CNC(=O)C1CCCN(CC(F)(F)F)C1 | false |
CCCc1nc(CN2CCCC3CNCC32)cs1 | false |
Cc1c(N)c2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCOC2)c1=O | false |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.