diff options
Diffstat (limited to 'data/mazzatorta.csv~')
-rw-r--r-- | data/mazzatorta.csv~ | 568 |
1 files changed, 0 insertions, 568 deletions
diff --git a/data/mazzatorta.csv~ b/data/mazzatorta.csv~ deleted file mode 100644 index 6c4908d..0000000 --- a/data/mazzatorta.csv~ +++ /dev/null @@ -1,568 +0,0 @@ -SMILES,LOAEL,Dataset -ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,1.9566e-05,mazzatorta -ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl,2.7404e-05,mazzatorta -ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,6.4215e-05,mazzatorta -ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,0.00013126,mazzatorta -N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.00013725,mazzatorta -CCSCCSP(=S)(OCC)OCC,0.00014577,mazzatorta -CCOP(=S)(SCSC(C)(C)C)OCC,0.00017335,mazzatorta -CCOP(=S)(SCSC(C)(C)C)OCC,0.00020802,mazzatorta -ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,0.00026253,mazzatorta -OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.00027647,mazzatorta -ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,0.00032816,mazzatorta -CCSCCSP(=S)(OCC)OCC,0.00036443,mazzatorta 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