diff options
Diffstat (limited to 'data/Carcinogenicity-Mouse_(TD50).csv')
| -rw-r--r-- | data/Carcinogenicity-Mouse_(TD50).csv | 436 |
1 files changed, 436 insertions, 0 deletions
diff --git a/data/Carcinogenicity-Mouse_(TD50).csv b/data/Carcinogenicity-Mouse_(TD50).csv new file mode 100644 index 0000000..155f281 --- /dev/null +++ b/data/Carcinogenicity-Mouse_(TD50).csv @@ -0,0 +1,436 @@ +SID,SMILES,-log10(Carcinogenicity-Mouse_(TD50) [mmol/kg-bw/day]) +48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,0.5654310959658013 +48413130,CC=NN(C)C=O,1.6003262785189618 +48413132,CC(=O)N,-1.7075701760979363 +48413133,CC(=O)NC1=CC=C(C=C1)O,-1.0293837776852097 +48413139,CC(=O)NNC1=CC=C(C=C1)CO,-0.12710479836480765 +48413140,CC(=O)NNC(=O)C1=CC=NC=C1,-0.2648178230095365 +48413142,CC(=O)NNC1=CC=CC=C1,0.4672456210075022 +48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,1.4685210829577449 +48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,0.4089353929735008 +48413156,C=CC#N,0.9244530386074693 +48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,0.27736607746618774 +48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,2.4584207560534193 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