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| author | mr <mr@mrautenberg.de> | 2011-05-23 17:09:26 +0200 |
|---|---|---|
| committer | mr <mr@mrautenberg.de> | 2011-05-23 17:09:26 +0200 |
| commit | 9aa3fd2adadc356fbc47ba3dc1a925644b909097 (patch) | |
| tree | 2b3b5989dd0bbb3f21d136b77fc4832edd29c2ee /data/hamster_carcinogenicity.mini.csv | |
| parent | d9d6a7e82e8f6fe0d554acf7149c81625e96bd09 (diff) | |
| parent | 4482a2dd9342a081d00849d059d1f37160df078b (diff) | |
Merge branch 'release/2.0.0'v2.0.0
Diffstat (limited to 'data/hamster_carcinogenicity.mini.csv')
| -rw-r--r-- | data/hamster_carcinogenicity.mini.csv | 11 |
1 files changed, 11 insertions, 0 deletions
diff --git a/data/hamster_carcinogenicity.mini.csv b/data/hamster_carcinogenicity.mini.csv new file mode 100644 index 0000000..4267235 --- /dev/null +++ b/data/hamster_carcinogenicity.mini.csv @@ -0,0 +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
|