diff options
Diffstat (limited to 'test/data/kazius.csv')
| -rw-r--r-- | test/data/kazius.csv | 4070 |
1 files changed, 0 insertions, 4070 deletions
diff --git a/test/data/kazius.csv b/test/data/kazius.csv deleted file mode 100644 index 1a05f63..0000000 --- a/test/data/kazius.csv +++ /dev/null @@ -1,4070 +0,0 @@ -SMILES,Mutagenicity -COC1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=CC=C3)C4=CC=CC=C4,1 -CC1=C(C=CC=C1N=C=O)N=C=O,1 -OCCC1=C[N](N=O)C2=CC=CC=C12,1 -[O-][N+](=O)C1=CC(=CS1)C(=O)NC2=CC(=CC=C2)Br,1 -CN(N=O)C1=CC=CC=C1,1 -CN2C1=C(C=CC=C1)C(=O)C3=C2C4=C(C=C3O)OC(C4)C5(C)CO5,1 -CS(=O)(=O)NC1=CC=C(C=C1)NC3=C2C=CC=CC2=NC4=CC=CC=C34,1 -[O-][N+](=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl,1 -OC1=C(C=CC(=C1)[N+]([O-])=O)[N+]([O-])=O,1 -C[N]2C(=NC3=C1N=CC=NC1=C(C)C(=C23)C)N,1 -CSC1=C(C(=C(C(=C1)SC)N)C)N,1 -OC1=CC4=C(C=C1)C3=CC2=CC=CC=C2C=C3C5=CC=CC=C45,1 -CC(=O)C(Br)=C,1 -NCCNCCNCCN,1 -CN(C)C1=CC=C(C=C1)CCO,1 -COC4=CC(=O)C3=C2[NH]C1=CC=NC=C1C2=CN=C3C4=O,1 -N1C3C1C2=CSC=C2C4=CSC=C34,1 -CC1=C(C=C(C(=C1)N=NC2=CC=CC=C2)N)N,1 -NC3=CC2=NC1=CC(=CC=C1C=C2C=C3)N,1 -[O-][N+](=O)C3=C1CCC2=CC=CC(=C12)C=C3,1 -NC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+]([O-])=O,1 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