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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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84569247
 
#1

eMolecules: 480030
Molport: MolPort-001-791-509
AK Scientific: X3388
Alfa-Aesar: L03180
Chembo Pharma: KB-57299...16 total

85205433
 
#2

eMolecules: 25607343
AK Scientific: 6595AD
Alinda: IBS-L0213999
Alinda Building Blocks: ALBB-027513
Ark Pharm Building Blocks: AK108566...19 total

85205432
 
#3

eMolecules: 25607343
AK Scientific: 6595AD
Alinda: IBS-L0213999
Alinda Building Blocks: ALBB-027513
Ark Pharm Building Blocks: AK108566...20 total

85264506
 
#4

Aronis BB Make-on-demand: BLOCK96186
ref: mol2, SDF, SMILES, flexibase
3.30,6.4,-13.09,2,4,0, 339.233, 4
85264504
 
#5

Aronis BB Make-on-demand: BLOCK96182
ref: mol2, SDF, SMILES, flexibase
3.16,6.35,-7.41,1,2,0, 276.218, 3
85264502
 
#6

Aronis BB Make-on-demand: BLOCK96181
ref: mol2, SDF, SMILES, flexibase
1.99,5.28,-8.62,1,2,0, 274.183, 4
85264498
 
#7

Aronis BB Make-on-demand: BLOCK96173
ref: mol2, SDF, SMILES, flexibase
3.12,7.05,-13.76,2,4,0, 347.212, 4
85264497
 
#8

Aronis BB Make-on-demand: BLOCK96168
ref: mol2, SDF, SMILES, flexibase
2.72,6.16,-20.81,2,4,0, 333.185, 4
85264494
 
#9

Aronis BB Make-on-demand: BLOCK96167
ref: mol2, SDF, SMILES, flexibase
1.66,3.92,-14.59,2,4,0, 299.168, 5
85264491
 
#10

Aronis BB Make-on-demand: BLOCK96164
ref: mol2, SDF, SMILES, flexibase
2.85,6.48,-10.75,1,4,0, 344.249, 8
85264490
 
#11

Aronis BB Make-on-demand: BLOCK96163
ref: mol2, SDF, SMILES, flexibase
2.84,5.22,-7.69,1,2,0, 296.979, 3
85264488
 
#12

Aronis BB Make-on-demand: BLOCK96159
PubChem: 63679869
Enamine BB Make on Demand: BBV-37777761
ref: mol2, SDF, SMILES, flexibase
0.98,2.88,-11.14,2,5,0, 315.167, 6
85264484
 
#13

Aronis BB Make-on-demand: BLOCK96158
ref: mol2, SDF, SMILES, flexibase
2.44,5.33,-10.38,2,4,0, 313.195, 6
85264481
 
#14

Aronis BB Make-on-demand: BLOCK96157
ref: mol2, SDF, SMILES, flexibase
1.25,3.62,-11.24,2,5,0, 329.194, 7
85264479
 
#15

Aronis BB Make-on-demand: BLOCK96156
ref: mol2, SDF, SMILES, flexibase
1.37,3.79,-10.56,2,4,0, 285.141, 4
85264477
 
#16

Aronis BB Make-on-demand: BLOCK96155
PubChem: 63678912
ref: mol2, SDF, SMILES, flexibase
1.88,4.56,-10.45,2,4,0, 299.168, 5
85264475
 
#17

Aronis BB Make-on-demand: BLOCK96154
ref: mol2, SDF, SMILES, flexibase
1.67,4.6,-10.47,2,4,0, 299.168, 4
85264471
 
#18

Aronis BB Make-on-demand: BLOCK96153
ref: mol2, SDF, SMILES, flexibase
1.65,4.84,-10.64,2,5,0, 337.173, 5
85264470
 
#19

Aronis BB Make-on-demand: BLOCK96152
ref: mol2, SDF, SMILES, flexibase
2.18,5.11,-9.83,2,4,0, 313.195, 4
85264466
 
#20

Aronis BB Make-on-demand: BLOCK96151
ref: mol2, SDF, SMILES, flexibase
1.37,4.03,-10.35,2,5,0, 341.205, 5
85264463
 
#21

Aronis BB Make-on-demand: BLOCK96151
ref: mol2, SDF, SMILES, flexibase
1.37,4,-10.18,2,5,0, 341.205, 5
85264458
 
#22

Aronis BB Make-on-demand: BLOCK96150
ref: mol2, SDF, SMILES, flexibase
2.96,7.65,-10.57,2,4,0, 361.239, 5
85264457
 
#23

Aronis BB Make-on-demand: BLOCK96150
ref: mol2, SDF, SMILES, flexibase
2.96,7.64,-10.68,2,4,0, 361.239, 5
85264454
 
#24

Aronis BB Make-on-demand: BLOCK96149
ref: mol2, SDF, SMILES, flexibase
1.64,4.35,-10.24,2,4,0, 297.152, 5
85010474
 
#25

Aronis BB Make-on-demand: BLOCK95753
59642129
 
#26

Aronis BB Make-on-demand: BLOCK96174
PubChem: 13194942
Enamine BB Make on Demand: BBV-37731111
UORSY BB Make-on-demand: BBV-37731111
ref: mol2, SDF, SMILES, flexibase
1.80,4.29,-10.46,1,6,0, 289.085, 4
41714193
 
#27

Scientific Exchange (make on demand): C-069750
Aronis BB Make-on-demand: BLOCK96185
PubChem: 18967711
SureChEMBL: SCHEMBL5362495, SCHEMBL8667875
Enamine BB Make on Demand: BBV-37731098...7 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.59,-9.2,1,2,0, 242.116, 3
41690552
 
#28

Aronis BB Make-on-demand: BLOCK96184
PubChem: 22251574
SureChEMBL: SCHEMBL6069669
Enamine BB Make on Demand: BBV-37732269
UORSY BB Make-on-demand: BBV-37732269...5 total

ref: mol2, SDF, SMILES, flexibase
2.57,4.39,-8.13,1,2,0, 234.137, 2

Similar to: 1689461,
41710201
 
#29

Aronis BB Make-on-demand: BLOCK96183
PubChem: 68873401, 60651184
SureChEMBL: SCHEMBL4003611, SCHEMBL4009579
Enamine BB Make on Demand: BBV-37730945
UORSY BB Make-on-demand: BBV-37730945...7 total

ref: mol2, SDF, SMILES, flexibase
1.62,5.96,-9.13,1,2,0, 268.154, 2

Similar to: 20450444, 20450446,
41710198
 
#30

Aronis BB Make-on-demand: BLOCK96183
PubChem: 68876211, 60651184
SureChEMBL: SCHEMBL4009579, SCHEMBL4010530
Enamine BB Make on Demand: BBV-37730945
UORSY BB Make-on-demand: BBV-37730945...7 total

ref: mol2, SDF, SMILES, flexibase
1.62,5.96,-9.12,1,2,0, 268.154, 2

Similar to: 20450444, 20450446,
5816435
 
#31

AK Scientific: 1405AC
Ark Pharm Building Blocks: AK110213
BePharm Building Blocks: B227656
Chembo Pharma: KB-229201
Aronis BB Make-on-demand: BLOCK96180...9 total

ref: mol2, SDF, SMILES, flexibase
1.99,-0.07,-8.57,1,2,0, 232.052, 2

Similar to: 5863462, 11957160, 389744, 2243414, 409809, ... 6 in total.
265032
 
#32

Scientific Exchange (make on demand): POD_04/0902
Alinda Building Blocks: ALBB-010639
ChemDiv: 2444-0031
ChemDiv BuildingBlocks: BB55-5093
Fluorochem: 368231...13 total

ref: mol2, SDF, SMILES, flexibase
3.35,1.39,-8.48,1,2,0, 316.504, 3
70159724
 
#33

Aronis BB Make-on-demand: BLOCK96178
SureChEMBL: SCHEMBL6327886
Enamine BB Make on Demand: BBV-37731002
UORSY BB Make-on-demand: BBV-37731002
ref: mol2, SDF, SMILES, flexibase
3.11,5.54,-8.92,1,2,0, 282.952, 2
33506538
 
#34

Aronis BB Make-on-demand: BLOCK96177
Alfa Chemistry (Depleted): ACM40124274
PubChem: 3016161
SureChEMBL: SCHEMBL4997835
Enamine BB Make on Demand: BBV-43861662...5 total

ref: mol2, SDF, SMILES, flexibase
3.28,7.43,-7.59,0,2,0, 250.18, 7
26438696
 
#35

Molport BB: MolPort-002-455-877
PBMR Labs Building Blocks: RBK_040586
Aronis BB Make-on-demand: BLOCK96176
PubChem: 33695378
Enamine BB Make on Demand: BBV-37730987...6 total

ref: mol2, SDF, SMILES, flexibase
3.04,5.54,-8.08,1,2,0, 306.985, 2
4262207
 
#36

ChemMol: 44033276
Acros Organics: 29110
Alfa-Aesar: A11926
Angene Building Blocks: AGN-PC-01UVM8
Anward: ANW-35484...59 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-1.08,-8.64,2,2,0, 137.964, 1
82506037
 
#37

Aronis BB Make-on-demand: BLOCK96172
PubChem: 63680029
Enamine BB Make on Demand: BBV-37732106
ref: mol2, SDF, SMILES, flexibase
1.84,3.05,-7.16,1,2,0, 208.099, 3
41705083
 
#38

Zylexa Pharma BB: ZP-BB-CD019032
Aronis BB Make-on-demand: BLOCK96171
AKOS BB (make-on-demand): AKOS012989997
PubChem: 18467239
SureChEMBL: SCHEMBL1545565...8 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.58,-8.72,0,2,0, 254.127, 1

Similar to: 41699029,
82510667
 
#39

Aronis BB Make-on-demand: BLOCK96170
PubChem: 15342542
Enamine BB Make on Demand: BBV-37732786
ref: mol2, SDF, SMILES, flexibase
2.58,8.11,-9.21,0,2,0, 270.17, 5
70159717
 
#40

Aronis BB Make-on-demand: BLOCK96169
PubChem: 60651855
Enamine BB Make on Demand: BBV-37730975
UORSY BB Make-on-demand: BBV-37730975
ref: mol2, SDF, SMILES, flexibase
1.50,3.35,-12.36,1,4,0, 274.114, 4
82507007
 
#41

Aronis BB Make-on-demand: BLOCK96166
PubChem: 63681215
Enamine BB Make on Demand: BBV-37732621
ref: mol2, SDF, SMILES, flexibase
1.45,3.93,-13.18,2,4,0, 285.141, 3
41715225
 
#42

Aronis BB Make-on-demand: BLOCK96165
ref: mol2, SDF, SMILES, flexibase
2.08,5.17,-10.97,1,4,0, 316.195, 7

Similar to: 47450455,
41706764
 
#43

Aronis BB Make-on-demand: BLOCK96162
ref: mol2, SDF, SMILES, flexibase
2.64,5.95,-10.92,1,4,0, 330.222, 8

Similar to: 46998742,
41690562
 
#44

Aronis BB Make-on-demand: BLOCK96161
PubChem: 63679073
Enamine BB Make on Demand: BBV-37732156
UORSY BB Make-on-demand: BBV-37732156
ref: mol2, SDF, SMILES, flexibase
2.00,4.93,-7.66,1,2,0, 242.116, 3

Similar to: 3078109,
69051772
 
#45

Aronis BB Make-on-demand: BLOCK96160
PubChem: 63678910
Enamine BB Make on Demand: BBV-37777757
ref: mol2, SDF, SMILES, flexibase
2.21,5.57,-10.31,2,4,0, 313.195, 5
69051771
 
#46

Aronis BB Make-on-demand: BLOCK96160
PubChem: 63678910
Enamine BB Make on Demand: BBV-37777757
ref: mol2, SDF, SMILES, flexibase
2.21,5.57,-10.31,2,4,0, 313.195, 5
1735091
 
#47

eMolecules: 29817537
Molport: MolPort-000-999-390
Scientific Exchange (make on demand): POD_04/0901
AK Scientific: 8942AE
AKOS: AKOS000293206...25 total

ref: mol2, SDF, SMILES, flexibase
0.91,-1.89,-13.64,1,3,0, 221.079, 2
6335828
 
#48

Aldrich CPR: R818070|ALDRICH
TimTec: ST50565682
Aronis BB Make-on-demand: BLOCK96147
ChemDB: 6647808
PubChem: 4344513...9 total

ref: mol2, SDF, SMILES, flexibase
1.56,0.67,-8.55,1,3,0, 239.072, 2

Similar to: 9877305, 334314, 1555600, 2558742, 5676612, ... 8 in total.
85205437
 
#49

ChemMol: 80101093
Alinda Building Blocks: ALBB-019170
Aronis BuildingBlocks: BBC/091
Chembo Pharma: KB-90182, KB-10475
Enamine Building Blocks: EN300-186690...10 total

ref: mol2, SDF, SMILES, flexibase
-0.40,-0.25,-10.64,4,5,0, 166.184, 1
85205434
 
#50

ChemMol: 80101018
AK Scientific: 7855AE
Ark Pharm Building Blocks: AK125234
Aronis BuildingBlocks: BBC/016
Bosche Scientific: H13784...19 total

ref: mol2, SDF, SMILES, flexibase
-0.42,-2.15,-6.47,3,4,0, 118.136, 3
85205439
 
#51

eMolecules: 18624937
Alinda: IBS-L0214065
Aronis: c07760
Aronis BuildingBlocks: BBC/131
Ryan Scientific BB: 074-91506...11 total

84403480
 
#52

Aronis BB Make-on-demand: BLOCK07705
ChEMBL19: CHEMBL10145
Enamine BB Make on Demand: BBV-015595
66225882
 
#53

Aronis BB Make-on-demand: BLOCK51635
PubChem: 54820682
ref: mol2, SDF, SMILES, flexibase
1.67,4.42,-51.65,4,5,1, 262.333, 5
hi: mol2, SDF, SMILES, flexibase
1.67,2.98,-14.72,3,5,0, 261.325, 5
66225881
 
#54

Aronis BB Make-on-demand: BLOCK51634
PubChem: 54820681
ref: mol2, SDF, SMILES, flexibase
1.70,3.41,-45.03,4,5,1, 250.322, 5
hi: mol2, SDF, SMILES, flexibase
1.70,1.98,-13.25,3,5,0, 249.314, 5
37044762
 
#55

Aronis BB Make-on-demand: BLOCK51633
PubChem: 43712962
Enamine BB Make on Demand: BBV-27186655
UORSY BB Make-on-demand: BBV-27186655
ref: mol2, SDF, SMILES, flexibase
1.68,3.64,-51.82,4,5,1, 250.322, 5
hi: mol2, SDF, SMILES, flexibase
1.68,2.21,-15.32,3,5,0, 249.314, 5

Similar to: 48605436, 24356275, 25708157, 31556934, 26793671, ... 9 in total.
66225880
 
#56

Aronis BB Make-on-demand: BLOCK51632
PubChem: 54820644
ref: mol2, SDF, SMILES, flexibase
0.88,4.58,-49.82,3,5,1, 264.349, 6
hi: mol2, SDF, SMILES, flexibase
0.88,3.15,-13.48,2,5,0, 263.341, 6
66225879
 
#57

Aronis BB Make-on-demand: BLOCK51631
PubChem: 54820643
ref: mol2, SDF, SMILES, flexibase
0.85,4.58,-49.63,3,5,1, 264.349, 6
hi: mol2, SDF, SMILES, flexibase
0.85,3.15,-13.79,2,5,0, 263.341, 6
51628533
 
#58

Aronis BB Make-on-demand: BLOCK51630
PubChem: 54820642
Enamine BB Make on Demand: BBV-33909366
UORSY BB Make-on-demand: BBV-33909366
ref: mol2, SDF, SMILES, flexibase
1.26,4.43,-40.91,3,3,1, 207.297, 5
hi: mol2, SDF, SMILES, flexibase
1.26,2.99,-6.66,2,3,0, 206.289, 5
51628532
 
#59

Aronis BB Make-on-demand: BLOCK51630
PubChem: 54820642
Enamine BB Make on Demand: BBV-33909366
UORSY BB Make-on-demand: BBV-33909366
ref: mol2, SDF, SMILES, flexibase
1.26,4.43,-40.91,3,3,1, 207.297, 5
hi: mol2, SDF, SMILES, flexibase
1.26,2.99,-6.67,2,3,0, 206.289, 5
66225878
 
#60

Aronis BB Make-on-demand: BLOCK51629
Otava (Virtual): 4256568
Otava BuildingBlocks (Depleted): 4256568
PubChem: 54820607
ref: mol2, SDF, SMILES, flexibase
1.90,3.83,-41.78,3,4,1, 237.323, 6
hi: mol2, SDF, SMILES, flexibase
1.90,2.39,-7.9,2,4,0, 236.315, 6
35018051
 
#61

Aronis BB Make-on-demand: BLOCK51628
PubChem: 43226231
Enamine BB Make on Demand: BBV-27107190
UORSY BB Make-on-demand: BBV-27107190
ref: mol2, SDF, SMILES, flexibase
0.46,1.15,-53.27,4,5,1, 222.268, 4
hi: mol2, SDF, SMILES, flexibase
0.46,-0.28,-16.57,3,5,0, 221.26, 4
66225877
 
#62

Aronis BB Make-on-demand: BLOCK51627
PubChem: 54820606
ref: mol2, SDF, SMILES, flexibase
2.42,5.84,-51.73,4,5,1, 312.393, 6
hi: mol2, SDF, SMILES, flexibase
2.42,4.41,-12.43,3,5,0, 311.385, 6
66225876
 
#63

Aronis BB Make-on-demand: BLOCK51627
PubChem: 54820606
ref: mol2, SDF, SMILES, flexibase
2.42,5.84,-51.72,4,5,1, 312.393, 6
hi: mol2, SDF, SMILES, flexibase
2.42,4.41,-12.28,3,5,0, 311.385, 6
66225875
 
#64

Aronis BB Make-on-demand: BLOCK51626
PubChem: 54821121
ref: mol2, SDF, SMILES, flexibase
2.37,4.7,-52.62,4,5,1, 290.387, 5
hi: mol2, SDF, SMILES, flexibase
2.37,3.27,-16.05,3,5,0, 289.379, 5
2572092
 
#65

eMolecules: 2863955
Molport: MolPort-002-467-595
AK Scientific: V7158
AKOS: AKOS015846298
Aldrich CPR: CDS007544|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
-0.99,1.06,-38.87,2,3,1, 117.172, 2
66225874
 
#66

Aronis BB Make-on-demand: BLOCK51624
PubChem: 54821120
ref: mol2, SDF, SMILES, flexibase
1.86,4.99,-51.93,4,5,1, 298.366, 6
hi: mol2, SDF, SMILES, flexibase
1.86,3.56,-15.03,3,5,0, 297.358, 6
66225873
 
#67

Aronis BB Make-on-demand: BLOCK51623
PubChem: 54821085
ref: mol2, SDF, SMILES, flexibase
1.62,3.28,-48.08,4,5,1, 264.349, 5
hi: mol2, SDF, SMILES, flexibase
1.62,1.85,-17.64,3,5,0, 263.341, 5
66225872
 
#68

Aronis BB Make-on-demand: BLOCK51622
PubChem: 54821084
ref: mol2, SDF, SMILES, flexibase
1.84,4.99,-49.33,4,5,1, 298.366, 6
hi: mol2, SDF, SMILES, flexibase
1.84,3.56,-18.14,3,5,0, 297.358, 6
66225871
 
#69

Aronis BB Make-on-demand: BLOCK51621
PubChem: 54821083
ref: mol2, SDF, SMILES, flexibase
1.12,3.12,-52.48,4,6,1, 288.327, 6
hi: mol2, SDF, SMILES, flexibase
1.12,1.7,-15.48,3,6,0, 287.319, 6
66225870
 
#70

Aronis BB Make-on-demand: BLOCK51620
PubChem: 54821052
ref: mol2, SDF, SMILES, flexibase
1.36,5.38,-52.92,3,5,1, 290.387, 4
hi: mol2, SDF, SMILES, flexibase
1.36,3.95,-12.21,2,5,0, 289.379, 4
40430733
 
#71

Aronis BB Make-on-demand: BLOCK51619
PubChem: 54821051
Enamine BB Make on Demand: BBV-32472360
UORSY BB Make-on-demand: BBV-32472360
ref: mol2, SDF, SMILES, flexibase
1.39,2.89,-50.96,4,6,1, 274.3, 5
hi: mol2, SDF, SMILES, flexibase
1.39,1.46,-14.07,3,6,0, 273.292, 5

Similar to: 21350738, 21353591,
66225869
 
#72

Aronis BB Make-on-demand: BLOCK51618
PubChem: 54821050
ref: mol2, SDF, SMILES, flexibase
1.12,4.8,-53.57,3,5,1, 276.36, 4
hi: mol2, SDF, SMILES, flexibase
1.12,3.37,-14.43,2,5,0, 275.352, 4
16477908
 
#73

Aronis BB Make-on-demand: BLOCK51617
PubChem: 54821018
ref: mol2, SDF, SMILES, flexibase
3.01,5.86,-52.37,4,5,1, 352.336, 6
hi: mol2, SDF, SMILES, flexibase
3.01,4.44,-22.39,3,5,0, 351.328, 6
66225868
 
#74

Aronis BB Make-on-demand: BLOCK51616
PubChem: 54821017
ref: mol2, SDF, SMILES, flexibase
1.14,4.78,-52.77,3,5,1, 276.36, 4
hi: mol2, SDF, SMILES, flexibase
1.14,3.35,-15.21,2,5,0, 275.352, 4
66225867
 
#75

Aronis BB Make-on-demand: BLOCK51615
PubChem: 54821016
ref: mol2, SDF, SMILES, flexibase
1.62,5.82,-53.69,3,5,1, 290.387, 4
hi: mol2, SDF, SMILES, flexibase
1.62,4.39,-14.21,2,5,0, 289.379, 4
66225866
 
#76

Aronis BB Make-on-demand: BLOCK51614
PubChem: 54820983
ref: mol2, SDF, SMILES, flexibase
2.40,5.83,-49.36,4,5,1, 312.393, 6
hi: mol2, SDF, SMILES, flexibase
2.40,4.41,-18.33,3,5,0, 311.385, 6
66225865
 
#77

Aronis BB Make-on-demand: BLOCK51614
PubChem: 54820983
ref: mol2, SDF, SMILES, flexibase
2.40,5.85,-49.43,4,5,1, 312.393, 6
hi: mol2, SDF, SMILES, flexibase
2.40,4.4,-18.5,3,5,0, 311.385, 6
66225864
 
#78

Aronis BB Make-on-demand: BLOCK51613
PubChem: 54820982
ref: mol2, SDF, SMILES, flexibase
1.61,6.71,-50.76,3,5,1, 312.393, 6
hi: mol2, SDF, SMILES, flexibase
1.61,5.28,-21.53,2,5,0, 311.385, 6
66225863
 
#79

Aronis BB Make-on-demand: BLOCK51612
PubChem: 54820981
ref: mol2, SDF, SMILES, flexibase
1.97,6.04,-48.9,3,5,1, 292.403, 8
hi: mol2, SDF, SMILES, flexibase
1.97,4.61,-16.96,2,5,0, 291.395, 8
66225862
 
#80

Aronis BB Make-on-demand: BLOCK51611
PubChem: 54820949
ref: mol2, SDF, SMILES, flexibase
0.61,3.86,-51,3,5,1, 262.333, 4
hi: mol2, SDF, SMILES, flexibase
0.61,2.43,-21.08,2,5,0, 261.325, 4
66225861
 
#81

Aronis BB Make-on-demand: BLOCK51610
PubChem: 54820948
ref: mol2, SDF, SMILES, flexibase
2.87,4.9,-44.82,4,5,1, 278.376, 8
hi: mol2, SDF, SMILES, flexibase
2.87,3.47,-13.12,3,5,0, 277.368, 8
40854350
 
#82

Aronis BB Make-on-demand: BLOCK51609
PubChem: 54820947
Enamine BB Make on Demand: BBV-32603111
UORSY BB Make-on-demand: BBV-32603111
ref: mol2, SDF, SMILES, flexibase
0.06,-0.36,-50.07,5,5,1, 208.241, 4
hi: mol2, SDF, SMILES, flexibase
0.06,-1.78,-19.25,4,5,0, 207.233, 4
66225860
 
#83

Aronis BB Make-on-demand: BLOCK51608
PubChem: 54820915
ref: mol2, SDF, SMILES, flexibase
0.69,1.81,-50.22,4,6,1, 280.348, 8
hi: mol2, SDF, SMILES, flexibase
0.69,0.39,-19.12,3,6,0, 279.34, 8
66225859
 
#84

Aronis BB Make-on-demand: BLOCK51607
PubChem: 54820914
ref: mol2, SDF, SMILES, flexibase
2.58,5.54,-50.96,4,5,1, 298.366, 5
hi: mol2, SDF, SMILES, flexibase
2.58,4.11,-17.22,3,5,0, 297.358, 5
19406392
 
#85

Aronis BB Make-on-demand: BLOCK51606
PubChem: 28159941, 18070876
Enamine BB Make on Demand: BBV-054231
UORSY BB Make-on-demand: BBV-054231
ref: mol2, SDF, SMILES, flexibase
2.05,3.42,-45.44,3,3,1, 244.112, 3
hi: mol2, SDF, SMILES, flexibase
2.05,1.96,-8.51,2,3,0, 243.104, 3
37768251
 
#86

Aronis BB Make-on-demand: BLOCK51605
PubChem: 54820884
Enamine BB Make on Demand: BBV-32131657
UORSY BB Make-on-demand: BBV-32131657
ref: mol2, SDF, SMILES, flexibase
1.14,2.81,-51.45,4,5,1, 250.322, 5
hi: mol2, SDF, SMILES, flexibase
1.14,1.38,-12.3,3,5,0, 249.314, 5
66225858
 
#87

Aronis BB Make-on-demand: BLOCK51604
PubChem: 54820883
ref: mol2, SDF, SMILES, flexibase
2.13,4.88,-51.98,4,5,1, 284.339, 5
hi: mol2, SDF, SMILES, flexibase
2.13,3.44,-14.07,3,5,0, 283.331, 5
37043477
 
#88

Aronis BB Make-on-demand: BLOCK51603
PubChem: 43712267
Enamine BB Make on Demand: BBV-27185957
UORSY BB Make-on-demand: BBV-27185957
ref: mol2, SDF, SMILES, flexibase
0.84,1.97,-51.57,4,5,1, 236.295, 5
hi: mol2, SDF, SMILES, flexibase
0.84,0.55,-12.33,3,5,0, 235.287, 5

Similar to: 46170028, 48498858, 48721572, 48757580, ... 9 in total.
66225857
 
#89

Aronis BB Make-on-demand: BLOCK51602
PubChem: 54820849
ref: mol2, SDF, SMILES, flexibase
2.77,6.36,-49.81,4,5,1, 312.393, 7
hi: mol2, SDF, SMILES, flexibase
2.77,4.93,-16.27,3,5,0, 311.385, 7
40419281
 
#90

Aronis BB Make-on-demand: BLOCK51601
PubChem: 54820848
Enamine BB Make on Demand: BBV-32467868
UORSY BB Make-on-demand: BBV-32467868
ref: mol2, SDF, SMILES, flexibase
0.44,1.14,-50.21,4,5,1, 222.268, 4
hi: mol2, SDF, SMILES, flexibase
0.44,-0.28,-19.65,3,5,0, 221.26, 4
34979658
 
#91

Aronis BB Make-on-demand: BLOCK51600
PubChem: 43218201
Enamine BB Make on Demand: BBV-27097297
UORSY BB Make-on-demand: BBV-27097297
ref: mol2, SDF, SMILES, flexibase
2.45,5.12,-45.04,3,3,1, 215.276, 3
hi: mol2, SDF, SMILES, flexibase
2.45,3.69,-9.29,2,3,0, 214.268, 3

Similar to: 37386572, 5483813, 10372644, 399545, 3311550, ... 5 in total.
35222822
 
#92

Aronis BB Make-on-demand: BLOCK51599
PubChem: 43424810
Enamine BB Make on Demand: BBV-27117382
UORSY BB Make-on-demand: BBV-27117382
ref: mol2, SDF, SMILES, flexibase
0.21,2.76,-53.47,3,5,1, 236.295, 4
hi: mol2, SDF, SMILES, flexibase
0.21,1.33,-14.73,2,5,0, 235.287, 4
16477816
 
#93

Aronis BB Make-on-demand: BLOCK51598
PubChem: 43218189
Enamine BB Make on Demand: BBV-27097285
UORSY BB Make-on-demand: BBV-27097285
ref: mol2, SDF, SMILES, flexibase
0.24,2.7,-53.58,3,5,1, 236.295, 4

Similar to: 18936619, 32753209, 46170026, 46170028, 47903758, ... 9 in total.
34937398
 
#94

eMolecules: 31417383
Enamine: Z104756670
Enamine Building Blocks: EN300-65015
Mcule: MCULE-4281002724
Molport BB: MolPort-006-402-806...16 total

ref: mol2, SDF, SMILES, flexibase
0.46,4.63,-44.72,2,5,1, 229.3, 5
hi: mol2, SDF, SMILES, flexibase
0.46,3.19,-10.51,1,5,0, 228.292, 5

Similar to: 42975664, 46090915, 48343281, 48614443, 49972429, ... 10 in total.
35018055
 
#95

Aronis BB Make-on-demand: BLOCK51596
PubChem: 43226235
Enamine BB Make on Demand: BBV-27107194
UORSY BB Make-on-demand: BBV-27107194
ref: mol2, SDF, SMILES, flexibase
0.81,1.97,-49.37,4,5,1, 236.295, 5
hi: mol2, SDF, SMILES, flexibase
0.81,0.54,-18.57,3,5,0, 235.287, 5
19434379
 
#96

Innovapharm Building Blocks: BBS-00023845
Molport BB: MolPort-004-332-319
Aronis BB Make-on-demand: BLOCK51595
Innovapharm BB Make on Demand: BBV-00065388
Frontier (Depleted): 500043479...9 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.22,-42.69,3,4,1, 209.269, 5
hi: mol2, SDF, SMILES, flexibase
1.16,0.75,-9.14,2,4,0, 208.261, 5
66225856
 
#97

Aronis BB Make-on-demand: BLOCK51594
PubChem: 54820785
ref: mol2, SDF, SMILES, flexibase
2.40,5.87,-54.86,3,5,1, 298.366, 5
hi: mol2, SDF, SMILES, flexibase
2.40,4.44,-17.78,2,5,0, 297.358, 5
66225855
 
#98

Aronis BB Make-on-demand: BLOCK51593
PubChem: 54820784
ref: mol2, SDF, SMILES, flexibase
2.78,6.54,-53.34,3,5,1, 312.393, 6
hi: mol2, SDF, SMILES, flexibase
2.78,5.11,-13.57,2,5,0, 311.385, 6
66225854
 
#99

Aronis BB Make-on-demand: BLOCK51592
PubChem: 54820750
ref: mol2, SDF, SMILES, flexibase
2.38,5.86,-51.53,3,5,1, 298.366, 5
hi: mol2, SDF, SMILES, flexibase
2.38,4.42,-21.32,2,5,0, 297.358, 5
66225853
 
#100

Aronis BB Make-on-demand: BLOCK51591
PubChem: 54820749
ref: mol2, SDF, SMILES, flexibase
2.75,6.36,-50.65,4,5,1, 312.393, 7
hi: mol2, SDF, SMILES, flexibase
2.75,4.93,-13.09,3,5,0, 311.385, 7

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 = 665 ) limit 0,100

Smiles were