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 |