diff options
Diffstat (limited to 'original/LOAEL_mg.csv')
| -rwxr-xr-x | original/LOAEL_mg.csv | 566 |
1 files changed, 0 insertions, 566 deletions
diff --git a/original/LOAEL_mg.csv b/original/LOAEL_mg.csv deleted file mode 100755 index 30dea21..0000000 --- a/original/LOAEL_mg.csv +++ /dev/null @@ -1,566 +0,0 @@ -SMILES,LOAEL_mg_kg_bw_day -'COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(OH)(=O)=O)S(OH)(=O)=O',3739 -'O1C(=O)C(O)=C(O)C1C(O)CO',3051 -'C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1',500 -'c(cccc1)(c1)C(C)C',462 -'O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1',600 -'O=C(OCC)c(c(ccc1)C(=O)OCC)c1',4435 -'O=C(OC(OC(OC1C)C)C1)C',125 -'Oc(c(ccc1)C)c1C',6 -'Oc(ccc(c1C)C)c1',14 -'O=C(OCC)C=C',248 -'c(cccc1)(c1)CC',408 -'OCCO',250 -'c(ccc1C(=O)OCC(=O)OCC)cc1C(=O)OCC',2500 -'O=C',82 -'O=C(O)C=CC(=O)O',1081 -'OCC(O)CO',6883 -'O=C(OC)c(ccc(O)c1)c1',1500 -'O=C(OCCC)c(ccc(O)c1)c1',1500 -'CC(CCC(=O)(O))C3CCC4C2CCC1CC(O)CCC1(C)C2CCC34C',500 -'OC(C(CCC1C)C(C)C)C1',593 -'O=C(O)C(=C)C',248 -'O=C(OC)c(c(O)ccc1)c1',360 -'Oc(cccc1)c1',344 -'O=C(OCCC)c(cc(O)c(O)c1O)c1',864 -'OCC(O)C1C(O)=C(O)C(=O)O1',1554 -'c(cccc1)(c1)C=C',21 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