smiles
stringlengths 1
71
| activity
float64 -5.56
1.86
|
|---|---|
Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
| 0.380314 |
CCCCC[N+](=O)[O-]
| 0.254588 |
Clc1ccccc1Cl
| 0.629199 |
CC(=O)O
| -0.73839 |
C1=CC=CCC=C1
| 0.724135 |
Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl
| -0.204696 |
COCC(OC)(OC)OC
| -0.49207 |
CNC(C)=O
| -1.587681 |
C1CCCC1
| 1.286053 |
Cc1c[nH]cn1
| -1.656958 |
CC(F)F
| 0.949929 |
CCCCC(=O)CCCC
| 0.300773 |
CC1=CCCCC1
| 1.150064 |
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