diff options
author | mguetlein <martin.guetlein@gmail.com> | 2011-02-04 16:15:20 +0100 |
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committer | mguetlein <martin.guetlein@gmail.com> | 2011-02-04 16:15:20 +0100 |
commit | 9407e4f481bc2a7c5d1daa3c42a0123c5fb5fbbf (patch) | |
tree | b7321864139d0a7f13eade72d44cc10e45838f10 /data | |
parent | 6762fc56b83fd91e8270a01b689bbf6e0eceb984 (diff) |
add unit tests
Diffstat (limited to 'data')
-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
|