diff options
Diffstat (limited to 'data/hamster_carcinogenicity.mini.dup.csv')
| -rw-r--r-- | data/hamster_carcinogenicity.mini.dup.csv | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/data/hamster_carcinogenicity.mini.dup.csv b/data/hamster_carcinogenicity.mini.dup.csv new file mode 100644 index 0000000..3982ff6 --- /dev/null +++ b/data/hamster_carcinogenicity.mini.dup.csv @@ -0,0 +1,12 @@ +SMILES,Hamster-Carcinogenicity,Missing +CC=O,1, +C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,1,a +O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,1,a +C1(N=CNN=1)N,0,b +Br(=O)(=O)[O-].[K+],1,a +[Cl-].[Cd+2].[Cl-],0,b +O=S(=O)([O-])[O-].[Cd+2],0,b +ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,0,a +ClCOC,1,a +C=C(Cl)C=C,0, +C=C(Cl)C=C,1,a |