diff options
Diffstat (limited to 'data/Acute_toxicity-Fathead_minnow.csv')
| -rw-r--r-- | data/Acute_toxicity-Fathead_minnow.csv | 581 |
1 files changed, 581 insertions, 0 deletions
diff --git a/data/Acute_toxicity-Fathead_minnow.csv b/data/Acute_toxicity-Fathead_minnow.csv new file mode 100644 index 0000000..97f32de --- /dev/null +++ b/data/Acute_toxicity-Fathead_minnow.csv @@ -0,0 +1,581 @@ +SID,SMILES,-log10(Acute_toxicity-Fathead_minnow [mmol/l]) +48414883,CCCCCCOC1=C(C=C(C=C1)C=O)OC,1.9469215565165803 +48414884,COC1=C(C(=CC(=C1O)Br)C=O)[N+](=O)[O-],0.575118363368933 +48414886,C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)Cl,2.114073660198569 +48414887,CC1=C(C=CC=C1Cl)NC=O,0.5606673061697374 +48414888,CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC,2.490797477668897 +48414889,C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O,1.2732727909734278 +48414890,CCCSCCSCCC,1.3746875490383261 +48414893,CCCSCCCCSCCC,1.8386319977650252 +48414896,C1CCC(CC1)NC(=O)OCCCl,0.7695510786217261 +48414897,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,-0.31806333496276157 +48414898,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,1.2276782932770802 +48414899,CCOC(=O)N,-1.7693773260761385 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