diff options
Diffstat (limited to 'regression/swissMouse_chron_LOAEL_mmol.csv')
| -rw-r--r-- | regression/swissMouse_chron_LOAEL_mmol.csv | 394 |
1 files changed, 0 insertions, 394 deletions
diff --git a/regression/swissMouse_chron_LOAEL_mmol.csv b/regression/swissMouse_chron_LOAEL_mmol.csv deleted file mode 100644 index 102a8b5..0000000 --- a/regression/swissMouse_chron_LOAEL_mmol.csv +++ /dev/null @@ -1,394 +0,0 @@ -SMILES,LOAEL parental as dose (mmol/kg bw per day) -O=P(OCC)(SC(C)CC)SC(C)CC,0.0005214647946645646 -C1CNC(=S)NC1,0.0017213967807490692 -CC(C(O)=O)OC2=CC=C(C=C2)OC1=C(Cl)C=C(C(F)(F)F)C=N1,0.0016588317479976395 -FC(F)(F)C1=CC(NC(N(C)C)=O)=CC=C1,0.0032299414713072455 -CC(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(OC)=O,0.0022568337247128047 -CCSCSP(OCC)(OCC)=S,0.0034565205655226585 -S=P(OCC)(OCC)SCSC(C)(C)C,0.003120334583633435 -ClC(C(SCC(O)=O)=C3)=CC(F)=C3\N=C2/SC(N1CCCCN12)=O,0.0025650712402365693 -O=C(N(COCC)C1=C(CC)C=CC=C1C)CCl,0.004077591462568489 -S=P(OCC)(OCC)SCSP(OCC)(OCC)=S,0.003043101917348465 -ClC(C=C(C=C1Cl)C(F)(F)F)=C1N2N=C(C(S(C(F)(F)F)=O)=C2N)C#N,0.0027016035498978173 -CCS(CCSP(OC)(OC)=O)(=O)=O,0.004765825265934956 -[O-][N+]2=NC(N3C=CN=C3)=NC1=CC=C(Cl)C=C12,0.005653355368059447 -ClC1(C(Cl)=C2Cl)C(C3Cl)C(C=C3)C2(Cl)C(Cl)1Cl,0.00401802539767067 -FC(F)C1=NC(C(F)(F)F)=C(C2=NCCS2)C(CC(C)C)=C1C(OC)=O,0.004036577506681444 -FC1=CC=CC(F)=C1C(NC(NC2=CC(Cl)=C(C(Cl)=C2F)F)=O)=O,0.005510230739958609 -CCOP(OCC)(SCN1C(OC2=C1C=CC(Cl)=C2)=O)=S,0.006253252921346584 -O=S3OCC1C(CO3)C2(Cl)C(Cl)=C(Cl)C(Cl)1C(Cl)2Cl,0.006143636148899525 -O=P(OC)(OC)SCCS(CC)=O,0.010150855518163414 -CC(C)(C)C1=CC=C(CSC2=C(Cl)C(N(C(C)(C)C)N=C2)=O)C=C1,0.007617844970248671 -FC(F)(F)C1=CC(Cl)=C(OC2=CC=C([N+]([O-])=O)C(OCC)=C2)C=C1,0.007741214384548647 -[O][N](N=C(NC)NCC1COCC1)=O,0.014835983748861215 -BrC1=CC=C(NC(N(C)OC)=O)C=C1,0.01157854825383142 -[O-][N+](C(C(Cl)=C(Cl)C(Cl)=C1Cl)=C1Cl)=O,0.010157966537626632 -BrC1=CC(C#N)=CC(Br)=C1O,0.011194858745191247 -O=P(SC)(OC)N,0.024799974037970036 -O=P(OC)(OC)SCCSCC,0.01563278476717342 -S=P(OC)(OC)SCC(NC)=O,0.01570287055736368 -S=P(OC)(OC)SCN1N=NC(C=CC=C2)=C2C1=O,0.011975129144887783 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