diff options
Diffstat (limited to 'data/hamster_carcinogenicity.mini.csv')
| -rw-r--r-- | data/hamster_carcinogenicity.mini.csv | 22 |
1 files changed, 11 insertions, 11 deletions
diff --git a/data/hamster_carcinogenicity.mini.csv b/data/hamster_carcinogenicity.mini.csv index 4267235..a2a97cf 100644 --- a/data/hamster_carcinogenicity.mini.csv +++ b/data/hamster_carcinogenicity.mini.csv @@ -1,11 +1,11 @@ -SMILES, Hamster Carcinogenicity
-CC=O,1
-C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,1
-O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,1
-C1(N=CNN=1)N,0
-Br(=O)(=O)[O-].[K+],1
-[Cl-].[Cd+2].[Cl-],0
-O=S(=O)([O-])[O-].[Cd+2],0
-ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,0
-ClCOC,1
-C=C(Cl)C=C,0
+SMILES, Hamster Carcinogenicity +CC=O,1 +C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,1 +O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,1 +C1(N=CNN=1)N,0 +Br(=O)(=O)[O-].[K+],1 +[Cl-].[Cd+2].[Cl-],0 +O=S(=O)([O-])[O-].[Cd+2],0 +ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,0 +ClCOC,1 +C=C(Cl)C=C,0 |