smiles
stringlengths 6
253
⌀ | ki
float64 0
2,570,395,783B
| receptor
stringlengths 2
90
| source
stringclasses 243
values |
|---|---|---|---|
null | 282
|
5-HT2C
|
Choroid Plexus
|
COC1=CC2=C(C=C1)NC=C2CCN
| 23.4
|
5-HT2C
|
Choroid Plexus
|
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
| 12.6
|
5-HT2C
|
Choroid Plexus
|
C1CN(CCN1)C2=CC=CC3=CC=CC=C32
| 11
|
5-HT1A
|
HIPPOCAMPUS
|
C1CN(CCN1)C2=CC=CC3=CC=CC=C32
| 38.9
|
5-HT1A
|
CORTEX
|
C1CN(CCN1)C2=CC=CC3=CC=CC=C32
| 38.9
|
5-HT1A
|
CORTEX
|
C1CN(CCN1)C2=CC=CC3=CC=CC=C32
| 66.1
|
5-HT1A
|
CORTEX
|
C1CN(CCN1)C2=NC=CC=N2
| 1,410
|
5-HT1A
|
HIPPOCAMPUS
|
C1CN(CCN1)C2=NC=CC=N2
| 1,560
|
5-HT1A
|
CORTEX
|
null | 10,000
|
5-HT1A
|
HIPPOCAMPUS
|
CC1=CC(=C(C=C1)NC(=O)C)C
| 10,000
|
5-HT1A
|
HIPPOCAMPUS
|
null | 1,131
|
5-HT1A
|
HIPPOCAMPUS
|
null | 146.06
|
5-HT1A
|
HIPPOCAMPUS
|
CC(C)[N+](=O)[O-]
| 2,900
|
5-HT1A
|
HIPPOCAMPUS
|
C1CC2=C3C(=CC=C2)NC=C3C1CN
| 369
|
5-HT1A
|
CORTEX
|
null | 350.14
|
5-HT1A
|
HIPPOCAMPUS
|
CC(C(=O)O)OC1=CC=C(C=C1)Cl
| 1,965.71
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C(=C1)O)C(=CN2)CCN
| 95.5
|
5-HT1A
|
CORTEX
|
C1=C2C(=CC(=C1O)O)NC=C2CCN
| 260
|
5-HT1A
|
CORTEX
|
C1=C2C(=CC(=C1O)O)NC=C2CCN
| 955
|
5-HT1A
|
CORTEX
|
null | 10,000
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.16
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.21
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.3
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.3
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.3
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.3
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.39
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
| 0.4
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 0.27
|
5-HT1A
|
CELLS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.2
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.37
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.4
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.54
|
5-HT1A
|
HIPPO:LESIONED
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.65
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.68
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.7
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 1.75
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 2
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 2.2
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 2.41
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 2.51
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.09
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.09
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.09
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.09
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.09
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.2
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.31
|
5-HT1A
|
CORTEX
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.89
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 3.89
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 4.3
|
5-HT1A
|
HIPPOCAMPUS
|
C1=CC2=C(C=C1O)C(=CN2)CCN
| 4.78
|
5-HT1A
|
HIPPOCAMPUS
|
COC1=CC2=C(C=C1)NC=C2CCN
| 2.5
|
5-HT1A
|
CORTEX
|
COC1=CC2=C(C=C1)NC=C2CCN
| 6.4
|
5-HT1A
|
HIPPOCAMPUS
|
COC1=CC2=C(C=C1)NC=C2CCN
| 31.94
|
5-HT1A
|
HIPPOCAMPUS
|
COC1=CC2=C(C=C1)NC=C2CCN
| 35.14
|
5-HT1A
|
CORTEX
|
COC1=CC2=C(C=C1)NC=C2CCN
| 224
|
5-HT1A
|
HIPPOCAMPUS
|
COC1=CC2=C(C=C1)NC=C2CCN
| 227.42
|
5-HT1A
|
HIPPOCAMPUS
|
null | 708
|
5-HT1A
|
CORTEX
|
null | 1,580
|
5-HT1A
|
CORTEX
|
null | 17.06
|
5-HT1A
|
CORTEX
|
null | 12.88
|
5-HT1A
|
CORTEX
|
null | 96
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.06
|
5-HT1A
|
CELLS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.48
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.56
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.64
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.7
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.83
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.9
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 0.97
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.14
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.2
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.26
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.29
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.46
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.6
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.75
|
5-HT1A
|
BRAIN
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.78
|
5-HT1A
|
HIPPOCAMPUS
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.82
|
5-HT1A
|
CORTEX
|
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
| 1.82
|
5-HT1A
|
CORTEX
|
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
| 25.7
|
5-HT1A
|
CORTEX
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 2.52
|
5-HT1A
|
HIPPOCAMPUS
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 3.31
|
5-HT1A
|
HIPPOCAMPUS
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 5
|
5-HT1A
|
CORTEX
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 5.68
|
5-HT1A
|
HIPPOCAMPUS
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 16.64
|
5-HT1A
|
HIPPOCAMPUS
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 25.1
|
5-HT1A
|
CORTEX
|
CN(C)CCC1=CNC2=C1C=C(C=C2)O
| 25.1
|
5-HT1A
|
CORTEX
|
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
| 3.86
|
5-HT1A
|
HIPPOCAMPUS
|
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
| 4
|
5-HT1A
|
CELLS
|
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
| 7.6
|
5-HT1A
|
CORTEX
|
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
| 9.1
|
5-HT1A
|
HIPPOCAMPUS
|
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
| 12.94
|
5-HT1A
|
CORTEX
|
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O
| 2.41
|
5-HT1A
|
CORTEX
|
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O
| 6.67
|
5-HT1A
|
HIPPOCAMPUS
|
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O
| 2.29
|
5-HT1A
|
CORTEX
|
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