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path: root/test/data/hamster_carcinogenicity.mini.bool_float.csv
blob: 85bf66bc1020d50b6bd58b6093db24787c4a06f0 (plain)
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SMILES, Hamster Carcinogenicity
CC=O,1.0
C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,1.0
O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,1.0
C1(N=CNN=1)N,0.0
Br(=O)(=O)[O-].[K+],1.0
[Cl-].[Cd+2].[Cl-],0.0
O=S(=O)([O-])[O-].[Cd+2],0.0
ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,0.0
ClCOC,1.0
C=C(Cl)C=C,0.0