diff options
Diffstat (limited to 'data/Carcinogenicity-Rat_(TD50).csv')
| -rw-r--r-- | data/Carcinogenicity-Rat_(TD50).csv | 573 |
1 files changed, 573 insertions, 0 deletions
diff --git a/data/Carcinogenicity-Rat_(TD50).csv b/data/Carcinogenicity-Rat_(TD50).csv new file mode 100644 index 0000000..cdab2ed --- /dev/null +++ b/data/Carcinogenicity-Rat_(TD50).csv @@ -0,0 +1,573 @@ +SID,SMILES,-log10(Carcinogenicity-Rat_(TD50) [mmol/kg-bw/day]) +48413129,CC=O,-0.5403294747908738 +48413132,CC(=O)N,-0.4842998393467858 +48413133,CC(=O)NC1=CC=C(C=C1)O,-0.5145477526602861 +48413135,CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C,1.6439741428068773 +48413137,CC(=NO)C,0.7798919119599449 +48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,0.9430951486635274 +48413143,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,2.252588192113577 +48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,2.2628073572952627 +48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,2.8041003475907664 +48413154,C=CC(=O)N,1.2773660774661877 +48413156,C=CC#N,0.4975728800155673 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