From 354aaa649e9eeed5d81793e09d9714b45063c147 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Wed, 8 Feb 2012 13:14:11 +0100 Subject: toxbank-investigation compatible version --- test/data/hamster_carcinogenicity.mini.csv | 11 +++++++++++ 1 file changed, 11 insertions(+) create mode 100644 test/data/hamster_carcinogenicity.mini.csv (limited to 'test/data/hamster_carcinogenicity.mini.csv') diff --git a/test/data/hamster_carcinogenicity.mini.csv b/test/data/hamster_carcinogenicity.mini.csv new file mode 100644 index 0000000..4267235 --- /dev/null +++ b/test/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 -- cgit v1.2.3