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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

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89228922
 
#1

Enamine-REAL: Z1531323267
ref: mol2, SDF, SMILES, flexibase
2.97,4.87,-14.85,3,5,0, 356.397, 6
17888187
 
#2

eMolecules: 1130392, 46519108
Molport: MolPort-001-848-486
AKOS: AKOS005626227
ChemBridge: 6379598
IBScreen: STOCK3S-67166...17 total

ref: mol2, SDF, SMILES, flexibase
2.58,4.94,-17.88,2,6,0, 292.364, 5
hi: mol2, SDF, SMILES, flexibase
2.21,3.49,-47.87,1,6,-1, 291.356, 6

Similar to: 38543555, 5171064,
6830244
 
#3

eMolecules: 1457020, 46519340
Molport: MolPort-001-998-377
AKOS: AKOS005626920, AKOS000599622
Asinex: BAS04867121
ChemBridge: 6379371...21 total

ref: mol2, SDF, SMILES, flexibase
2.18,4.08,-25.05,2,6,0, 278.337, 4
hi: mol2, SDF, SMILES, flexibase
1.81,2.92,-53.09,1,6,-1, 277.329, 5
56923335
 
#4

Enamine-REAL: Z1196158253
Life Chemicals (Virtual): F6033-0739
ref: mol2, SDF, SMILES, flexibase
2.83,6.34,-10.95,1,5,0, 292.379, 5
56923334
 
#5

Enamine-REAL: Z1196158253
Life Chemicals (Virtual): F6033-0739
ref: mol2, SDF, SMILES, flexibase
2.83,6.33,-11.21,1,5,0, 292.379, 5
70040107
 
#6

eMolecules: 36703714
Molport: MolPort-020-041-076
Enamine: Z1149804280
Mcule: MCULE-8117439879
Enamine-REAL: Z1149804280...8 total

ref: mol2, SDF, SMILES, flexibase
2.63,8.41,-42.48,2,5,1, 332.468, 3
hi: mol2, SDF, SMILES, flexibase
2.63,6.12,-8.14,1,5,0, 331.46, 3
70040106
 
#7

eMolecules: 36703714
Molport: MolPort-020-041-076
Enamine: Z1149804280
Mcule: MCULE-8117439879
Enamine-REAL: Z1149804280...8 total

ref: mol2, SDF, SMILES, flexibase
2.63,7.97,-44.43,2,5,1, 332.468, 3
hi: mol2, SDF, SMILES, flexibase
2.63,5.75,-9.71,1,5,0, 331.46, 3

Similar to: 44704868, 44704869,
89228882
 
#8

Enamine-REAL: Z1531323014
ref: mol2, SDF, SMILES, flexibase
1.01,3.55,-18.93,3,8,0, 371.441, 5
89228881
 
#9

Enamine-REAL: Z1531322954
ref: mol2, SDF, SMILES, flexibase
3.06,6.28,-19.84,1,5,0, 366.405, 8
89228878
 
#10

Enamine-REAL: Z1531322865
ref: mol2, SDF, SMILES, flexibase
3.04,6.72,-12.59,2,5,0, 340.349, 6
89228877
 
#11

Enamine-REAL: Z1531322853
ref: mol2, SDF, SMILES, flexibase
4.56,8.8,-10.2,1,4,0, 344.377, 6
89228876
 
#12

Enamine-REAL: Z1531322853
ref: mol2, SDF, SMILES, flexibase
4.56,8.8,-10.21,1,4,0, 344.377, 6
89228873
 
#13

Enamine-REAL: Z1531322180
ref: mol2, SDF, SMILES, flexibase
1.77,8.08,-16.72,2,8,0, 353.43, 5
89228872
 
#14

Enamine-REAL: Z1531322168
ref: mol2, SDF, SMILES, flexibase
3.29,10.24,-12.66,1,7,0, 357.458, 5
89228871
 
#15

Enamine-REAL: Z1531322168
ref: mol2, SDF, SMILES, flexibase
3.29,10.23,-12.77,1,7,0, 357.458, 5
74313149
 
#16

Enamine-REAL: Z742700722
ref: mol2, SDF, SMILES, flexibase
1.40,8.17,-14.35,0,4,0, 306.431, 4

Similar to: 42742045, 42591324,
89228865
 
#17

Enamine-REAL: Z1531321851
ref: mol2, SDF, SMILES, flexibase
3.09,6.28,-19.52,1,5,0, 366.405, 8
89228862
 
#18

Enamine-REAL: Z1531321753
ref: mol2, SDF, SMILES, flexibase
4.58,8.8,-10.24,1,4,0, 344.377, 6
89228861
 
#19

Enamine-REAL: Z1531321753
ref: mol2, SDF, SMILES, flexibase
4.58,8.8,-10.23,1,4,0, 344.377, 6
89228860
 
#20

Enamine-REAL: Z1531321766
ref: mol2, SDF, SMILES, flexibase
3.06,6.73,-12.34,2,5,0, 340.349, 6
89228858
 
#21

Enamine-REAL: Z1531321058
ref: mol2, SDF, SMILES, flexibase
0.50,4.08,-17.6,2,7,0, 333.367, 4
89228857
 
#22

Enamine-REAL: Z1531321040
ref: mol2, SDF, SMILES, flexibase
2.02,6.14,-16.64,1,6,0, 337.395, 4
89228856
 
#23

Enamine-REAL: Z1531321040
ref: mol2, SDF, SMILES, flexibase
2.02,6.14,-16.6,1,6,0, 337.395, 4
89228838
 
#24

Enamine-REAL: Z1531319954
ref: mol2, SDF, SMILES, flexibase
2.44,2.51,-10.57,3,6,0, 342.421, 5
89228837
 
#25

Enamine-REAL: Z1531319954
ref: mol2, SDF, SMILES, flexibase
2.44,2.49,-10.61,3,6,0, 342.421, 5
74313146
 
#26

Enamine-REAL: Z742700722
ref: mol2, SDF, SMILES, flexibase
1.40,8.17,-14.33,0,4,0, 306.431, 4

Similar to: 42742045, 42591324,
74313145
 
#27

Enamine-REAL: Z1203839688
ref: mol2, SDF, SMILES, flexibase
2.01,4.74,-35.47,2,4,1, 282.314, 3
hi: mol2, SDF, SMILES, flexibase
2.01,2.28,-9.52,1,4,0, 281.306, 3

Similar to: 42567057, 42567059,
89228831
 
#28

Enamine-REAL: Z1531319865
ref: mol2, SDF, SMILES, flexibase
0.88,2.48,-11.93,2,7,0, 298.397, 4
89228830
 
#29

Enamine-REAL: Z1531319846
ref: mol2, SDF, SMILES, flexibase
2.40,4.6,-8.6,1,6,0, 302.425, 4
89228829
 
#30

Enamine-REAL: Z1531319846
ref: mol2, SDF, SMILES, flexibase
2.40,4.6,-8.56,1,6,0, 302.425, 4
74313142
 
#31

Enamine-REAL: Z1203839688
ref: mol2, SDF, SMILES, flexibase
2.01,4.8,-35.35,2,4,1, 282.314, 3
hi: mol2, SDF, SMILES, flexibase
2.01,2.38,-12.43,1,4,0, 281.306, 3

Similar to: 42567057, 42567059,
89228800
 
#32

Enamine-REAL: Z1531319613
ref: mol2, SDF, SMILES, flexibase
0.84,4.23,-20.18,2,7,0, 354.208, 3
89228799
 
#33

Enamine-REAL: Z1531319603
ref: mol2, SDF, SMILES, flexibase
2.36,5.53,-10.79,1,6,0, 358.236, 3
89228798
 
#34

Enamine-REAL: Z1531319603
ref: mol2, SDF, SMILES, flexibase
2.36,5.52,-10.76,1,6,0, 358.236, 3
89228769
 
#35

Enamine-REAL: Z1531319494
ref: mol2, SDF, SMILES, flexibase
2.58,9.3,-11.67,0,4,0, 287.359, 4
89228768
 
#36

Enamine-REAL: Z1531319494
ref: mol2, SDF, SMILES, flexibase
2.58,9.24,-11.16,0,4,0, 287.359, 4
89228767
 
#37

Enamine-REAL: Z1531319488
ref: mol2, SDF, SMILES, flexibase
0.62,6.76,-14.94,0,5,0, 263.293, 4
89228766
 
#38

Enamine-REAL: Z1531319488
ref: mol2, SDF, SMILES, flexibase
0.62,6.64,-14.61,0,5,0, 263.293, 4
73152284
 
#39

Enamine-REAL: Z200217736
ref: mol2, SDF, SMILES, flexibase
3.91,13.32,-12.4,0,6,0, 348.406, 5
89228761
 
#40

Enamine-REAL: Z1531319391
ref: mol2, SDF, SMILES, flexibase
2.77,11.3,-12.65,0,4,0, 335.403, 3
89228760
 
#41

Enamine-REAL: Z1531319391
ref: mol2, SDF, SMILES, flexibase
2.77,11.23,-12.2,0,4,0, 335.403, 3
89228755
 
#42

Enamine-REAL: Z1531319315
ref: mol2, SDF, SMILES, flexibase
2.95,12.26,-11.35,0,4,0, 349.43, 6
89228754
 
#43

Enamine-REAL: Z1531319315
ref: mol2, SDF, SMILES, flexibase
2.95,12.19,-11.22,0,4,0, 349.43, 6
89228753
 
#44

Enamine-REAL: Z1531319315
ref: mol2, SDF, SMILES, flexibase
2.95,12.28,-11.58,0,4,0, 349.43, 6
89228752
 
#45

Enamine-REAL: Z1531319315
ref: mol2, SDF, SMILES, flexibase
2.95,12.17,-11.02,0,4,0, 349.43, 6
89228745
 
#46

Enamine-REAL: Z1531319302
ref: mol2, SDF, SMILES, flexibase
2.54,9.9,-16.49,0,5,0, 356.397, 4
89228744
 
#47

Enamine-REAL: Z1531319302
ref: mol2, SDF, SMILES, flexibase
2.54,9.82,-16.02,0,5,0, 356.397, 4
89228726
 
#48

Enamine-REAL: Z1531319229
ref: mol2, SDF, SMILES, flexibase
1.80,11.32,-14.35,0,5,0, 365.429, 4
89228725
 
#49

Enamine-REAL: Z1531319229
ref: mol2, SDF, SMILES, flexibase
1.80,11.28,-13.57,0,5,0, 365.429, 4
89228724
 
#50

Enamine-REAL: Z1531319229
ref: mol2, SDF, SMILES, flexibase
1.80,11.14,-13.81,0,5,0, 365.429, 4
89228723
 
#51

Enamine-REAL: Z1531319229
ref: mol2, SDF, SMILES, flexibase
1.80,11.04,-14.1,0,5,0, 365.429, 4
89228722
 
#52

Enamine-REAL: Z1531319192
ref: mol2, SDF, SMILES, flexibase
2.35,4.63,-16.25,3,6,0, 373.428, 5
89228721
 
#53

Enamine-REAL: Z1531319192
ref: mol2, SDF, SMILES, flexibase
2.35,4.66,-16.22,3,6,0, 373.428, 5
89228714
 
#54

Enamine-REAL: Z1531319190
ref: mol2, SDF, SMILES, flexibase
2.89,10.08,-11.94,0,4,0, 327.355, 3
89228713
 
#55

Enamine-REAL: Z1531319190
ref: mol2, SDF, SMILES, flexibase
2.89,10.03,-11.34,0,4,0, 327.355, 3
89228712
 
#56

Enamine-REAL: Z1531319185
ref: mol2, SDF, SMILES, flexibase
2.45,11.36,-17.12,0,5,0, 366.442, 5
89228711
 
#57

Enamine-REAL: Z1531319185
ref: mol2, SDF, SMILES, flexibase
2.45,11.26,-16.89,0,5,0, 366.442, 5
89228695
 
#58

Enamine-REAL: Z1531319123
ref: mol2, SDF, SMILES, flexibase
1.30,6.86,-13.5,1,7,0, 374.485, 4
mid: mol2, SDF, SMILES, flexibase
1.30,7.14,-43.86,2,7,1, 375.493, 4
89228694
 
#59

Enamine-REAL: Z1531319123
ref: mol2, SDF, SMILES, flexibase
1.30,5.21,-15.84,1,7,0, 374.485, 4
mid: mol2, SDF, SMILES, flexibase
1.30,7.32,-45.39,2,7,1, 375.493, 4
89228691
 
#60

Enamine-REAL: Z1531319115
ref: mol2, SDF, SMILES, flexibase
0.79,4.66,-17.71,2,7,0, 329.404, 4
89228686
 
#61

Enamine-REAL: Z1531319024
ref: mol2, SDF, SMILES, flexibase
1.41,9.04,-14.08,0,7,0, 364.405, 3
89228685
 
#62

Enamine-REAL: Z1531319024
ref: mol2, SDF, SMILES, flexibase
1.41,8.99,-13.7,0,7,0, 364.405, 3
89228684
 
#63

Enamine-REAL: Z1531319015
ref: mol2, SDF, SMILES, flexibase
1.16,7.89,-15.1,0,4,0, 301.264, 4
89228683
 
#64

Enamine-REAL: Z1531319015
ref: mol2, SDF, SMILES, flexibase
1.16,7.79,-14.86,0,4,0, 301.264, 4
89228682
 
#65

Enamine-REAL: Z1531318999
ref: mol2, SDF, SMILES, flexibase
0.60,8.06,-17.43,0,7,0, 355.394, 4
89228681
 
#66

Enamine-REAL: Z1531318999
ref: mol2, SDF, SMILES, flexibase
0.60,8.18,-15.05,0,7,0, 355.394, 4
73152047
 
#67

Enamine-REAL: Z200169394
ref: mol2, SDF, SMILES, flexibase
3.60,11.32,-17.41,1,6,0, 367.478, 6
89228668
 
#68

Enamine-REAL: Z1531318851
ref: mol2, SDF, SMILES, flexibase
2.22,11.98,-17.36,0,7,0, 368.389, 6
89228667
 
#69

Enamine-REAL: Z1531318851
ref: mol2, SDF, SMILES, flexibase
2.22,11.88,-16.15,0,7,0, 368.389, 6
89228663
 
#70

Enamine-REAL: Z1531318810
ref: mol2, SDF, SMILES, flexibase
1.31,4.21,-16.88,1,6,0, 313.354, 5
89228652
 
#71

Enamine-REAL: Z1531318777
ref: mol2, SDF, SMILES, flexibase
2.10,9.36,-13.58,0,5,0, 337.375, 3
89228651
 
#72

Enamine-REAL: Z1531318777
ref: mol2, SDF, SMILES, flexibase
2.10,9.29,-13.67,0,5,0, 337.375, 3
89228650
 
#73

Enamine-REAL: Z1531318777
ref: mol2, SDF, SMILES, flexibase
2.10,9.38,-15.84,0,5,0, 337.375, 3
89228649
 
#74

Enamine-REAL: Z1531318777
ref: mol2, SDF, SMILES, flexibase
2.10,9.29,-15.67,0,5,0, 337.375, 3
89228642
 
#75

Enamine-REAL: Z1531318729
ref: mol2, SDF, SMILES, flexibase
2.42,10.25,-11.22,0,4,0, 303.402, 6
89228641
 
#76

Enamine-REAL: Z1531318729
ref: mol2, SDF, SMILES, flexibase
2.42,10.25,-11.16,0,4,0, 303.402, 6
89228640
 
#77

Enamine-REAL: Z1531318729
ref: mol2, SDF, SMILES, flexibase
2.42,10.15,-10.91,0,4,0, 303.402, 6
89228639
 
#78

Enamine-REAL: Z1531318729
ref: mol2, SDF, SMILES, flexibase
2.42,10.15,-10.92,0,4,0, 303.402, 6
89228632
 
#79

Enamine-REAL: Z1531318735
ref: mol2, SDF, SMILES, flexibase
3.05,10.03,-14.47,0,5,0, 372.49, 5
89228631
 
#80

Enamine-REAL: Z1531318735
ref: mol2, SDF, SMILES, flexibase
3.05,9.93,-14.88,0,5,0, 372.49, 5
89228628
 
#81

Enamine-REAL: Z1531318715
ref: mol2, SDF, SMILES, flexibase
1.80,6.87,-6.1,1,6,0, 332.379, 3
mid: mol2, SDF, SMILES, flexibase
1.80,7.14,-38.59,2,6,1, 333.387, 3
89228627
 
#82

Enamine-REAL: Z1531318715
ref: mol2, SDF, SMILES, flexibase
1.80,5.15,-7.74,1,6,0, 332.379, 3
mid: mol2, SDF, SMILES, flexibase
1.80,7.31,-40.66,2,6,1, 333.387, 3
89228621
 
#83

Enamine-REAL: Z1531318693
ref: mol2, SDF, SMILES, flexibase
2.81,6.72,-6.25,1,5,0, 291.326, 3
89228620
 
#84

Enamine-REAL: Z1531318693
ref: mol2, SDF, SMILES, flexibase
2.81,6.72,-6.19,1,5,0, 291.326, 3
89228619
 
#85

Enamine-REAL: Z1531318686
ref: mol2, SDF, SMILES, flexibase
1.82,10.56,-12.07,0,5,0, 353.418, 7
89228618
 
#86

Enamine-REAL: Z1531318686
ref: mol2, SDF, SMILES, flexibase
1.82,10.46,-11.8,0,5,0, 353.418, 7
89228611
 
#87

Enamine-REAL: Z1531318542
ref: mol2, SDF, SMILES, flexibase
2.35,9.96,-13.33,0,4,0, 321.442, 5
89228610
 
#88

Enamine-REAL: Z1531318542
ref: mol2, SDF, SMILES, flexibase
2.35,9.86,-13.04,0,4,0, 321.442, 5
89228609
 
#89

eMolecules: 48292516
Molport: MolPort-027-925-117
Enamine: Z1531318558
Enamine-REAL: Z1531318558
ref: mol2, SDF, SMILES, flexibase
1.94,8.36,-13.6,0,4,0, 301.367, 3
89228608
 
#90

eMolecules: 48292516
Molport: MolPort-027-925-117
Enamine: Z1531318558
Enamine-REAL: Z1531318558
ref: mol2, SDF, SMILES, flexibase
1.94,8.31,-13.11,0,4,0, 301.367, 3
89228599
 
#91

Enamine-REAL: Z1531318492
ref: mol2, SDF, SMILES, flexibase
2.60,10.53,-14.39,0,4,0, 327.355, 4
89228598
 
#92

Enamine-REAL: Z1531318492
ref: mol2, SDF, SMILES, flexibase
2.60,10.43,-14.18,0,4,0, 327.355, 4
89228597
 
#93

Enamine-REAL: Z1531318486
ref: mol2, SDF, SMILES, flexibase
1.57,8.19,-20.22,1,6,0, 352.39, 4
89228596
 
#94

Enamine-REAL: Z1531318486
ref: mol2, SDF, SMILES, flexibase
1.57,8.29,-20.7,1,6,0, 352.39, 4
89228593
 
#95

Enamine-REAL: Z1531318480
ref: mol2, SDF, SMILES, flexibase
1.76,8.02,-11.55,0,4,0, 261.321, 3
89228592
 
#96

Enamine-REAL: Z1531318480
ref: mol2, SDF, SMILES, flexibase
1.76,7.87,-11.16,0,4,0, 261.321, 3
89228581
 
#97

Enamine-REAL: Z1531318461
ref: mol2, SDF, SMILES, flexibase
2.29,8.73,-11.98,0,5,0, 344.436, 4
89228580
 
#98

Enamine-REAL: Z1531318461
ref: mol2, SDF, SMILES, flexibase
2.29,8.65,-11.64,0,5,0, 344.436, 4
89228556
 
#99

Enamine-REAL: Z1531318312
ref: mol2, SDF, SMILES, flexibase
1.60,8.66,-13.96,0,5,0, 340.423, 4
lo: mol2, SDF, SMILES, flexibase
1.60,10.95,-50.96,1,5,1, 341.431, 4
89228555
 
#100

Enamine-REAL: Z1531318312
ref: mol2, SDF, SMILES, flexibase
1.60,8.53,-13.49,0,5,0, 340.423, 4
lo: mol2, SDF, SMILES, flexibase
1.60,10.81,-49.85,1,5,1, 341.431, 4

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 184 ) limit 0,100

Smiles were