smiles
stringlengths 1
82
| activity
float64 -5.8
1.9
|
|---|---|
CCOCC
| 0.563321
|
C1CCNC1
| -0.473427
|
CC(=C)[C@H]1CCC(=CC1)C=O
| -0.10297
|
C(F)(F)(F)Br
| 1.464146
|
c1ccc(cc1)I
| 0.523343
|
CCOC=O
| 0.3048
|
CCCCC
| 1.600069
|
c1c(c(=O)[nH]c(=O)[nH]1)F
| -3.522373
|
CC(C)O
| -0.276205
|
CCC[C@@H](C)O
| -0.182925
|
CC=C(C)C
| 1.336218
|
C(=C\Cl)\Cl
| 0.675258
|
c1cc(c(c(c1Cl)Cl)Cl)Cl
| 0.62995
|
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