text
stringlengths 1
71
| label
float64 -25.47
3.43
|
|---|---|
CCCCOCCCC
| -0.83
|
CCCCCC1CCCC1
| 2.55
|
Cc1ccc(nc1)C
| -4.72
|
C/C=C/C=O
| -4.22
|
CCC[C@H](C)CC
| 2.71
|
c1cc(c(c(c1)Cl)c2c(cc(cc2Cl)Cl)Cl)Cl
| -1.96
|
c1ccc(cc1)O[C@@H](C(F)F)F
| -1.29
|
CC[C@H](C)c1ccccc1
| -0.45
|
c1ccc(cc1)CCCO
| -6.92
|
COc1ccc(cc1)C(=O)OC
| -5.33
|
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
| -10.21
|
C1(C(C(C1(F)F)(F)F)(F)F)(F)F
| 3.43
|
CC(C)CCOC(=O)C
| -2.21
|
CCCCCCCl
| 0
|
CC(C)CC(=O)C
| -3.05
|
CCCCCC=O
| -2.81
|
c1cc(cc(c1)Cl)N
| -5.82
|
C1COCCN1
| -7.17
|
CCOC(C)OCC
| -3.28
|
CCCC[N@](CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
| -3.51
|
CS
| -1.2
|
C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
| -4.23
|
CC(=O)c1ccc(cc1)OC
| -4.4
|
C=CCO
| -5.03
|
CCCCCOC(=O)C
| -2.51
|
c1c(cc(c(c1Cl)Cl)Cl)Cl
| -1.62
|
CC(=O)c1ccccc1
| -4.58
|
CCCl
| -0.63
|
CCCC1CCCC1
| 2.13
|
c1c(cc(cc1Cl)Cl)Cl
| -0.78
|
c1cc(cc(c1)Cl)O
| -6.62
|
CCCCCN
| -4.09
|
Cc1c(c(=O)n(c(=O)[nH]1)C(C)(C)C)Cl
| -11.14
|
CC(C)CCC(C)(C)C
| 2.93
|
CCCCOCCO
| -6.25
|
CC(C)[N+](=O)[O-]
| -3.13
|
C(C(CO)O)O
| -13.43
|
CCCI
| -0.53
|
COCCN
| -6.55
|
C(C(Cl)(Cl)Cl)Cl
| -1.43
|
CCC(=O)OC
| -2.93
|
C1CCCC1
| 1.2
|
CCc1cccnc1
| -4.59
|
Cc1cc(cnc1)C
| -4.84
|
COC=O
| -2.78
|
c1ccc2cc(ccc2c1)N
| -7.47
|
Cc1c[nH]cn1
| -10.27
|
C(CCCl)CCl
| -2.32
|
CC(=O)CO[N+](=O)[O-]
| -5.99
|
CC(C)(C)c1ccccc1
| -0.44
|
CCCCCC(=O)OC
| -2.49
|
C[C@@H](C(F)(F)F)O
| -4.16
|
CCCCCBr
| -0.1
|
CCCCCCC=C
| 1.92
|
CC1=CC(=O)[C@@H](CC1)C(C)C
| -4.51
|
CC(C)O
| -4.74
|
C(CO[N+](=O)[O-])CO[N+](=O)[O-]
| -4.8
|
Cc1ccc(c(c1)C)O
| -6.01
|
CCCCCO
| -4.57
|
CCC[C@@H](C)O
| -4.39
|
CCCC[C@@H](C)CC
| 2.97
|
C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O
| -7
|
Cc1ccc(cc1C)O
| -6.5
|
Cc1cc(ccc1Cl)O
| -6.79
|
CCCC/C=C/C
| 1.68
|
CCCOCCC
| -1.16
|
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C
| -3.2
|
CC(C)CC(C)(C)C
| 2.89
|
CCCCC(=O)CCCC
| -2.64
|
CCCCN(CC)C(=O)SCCC
| -3.64
|
CCCCCC=C
| 1.66
|
CC(C)OC=O
| -2.02
|
c1c(c(=O)[nH]c(=O)[nH]1)Cl
| -17.74
|
CC(=C)c1ccccc1
| -1.24
|
CCC(C)C
| 2.38
|
c1ccc(cc1)Br
| -1.46
|
CC(Cl)(Cl)Cl
| -0.19
|
CCCCCCCI
| 0.27
|
c1cc2ccc3cccc4c3c2c(c1)cc4
| -4.52
|
CCCCCCl
| -0.1
|
CC(C)COC(=O)C
| -2.36
|
c1cc(ccc1N)N(=O)=O
| -9.82
|
COC(=O)CC#N
| -6.72
|
CC(C)Cc1ccccc1
| 0.16
|
CN
| -4.55
|
c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)N
| -11.53
|
C(=C\Cl)\Cl
| -1.17
|
CCCCC(=O)C
| -3.28
|
C(CO[N+](=O)[O-])O[N+](=O)[O-]
| -5.73
|
c1ccc(c(c1)O)F
| -5.29
|
C=Cc1ccccc1
| -1.24
|
CCOP(=O)(OCC)OCC
| -7.5
|
C(C(F)(F)F)O
| -4.31
|
CCCCOC[C@H](C)O
| -5.73
|
CCCO
| -4.85
|
Cc1ccccc1C
| -0.9
|
CC(C)(C)C
| 2.51
|
CCCC#C
| 0.01
|
CCCCI
| -0.25
|
Cc1ccc(cc1)O
| -6.13
|
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