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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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13117938
 
#1

AKOS: AKOS001283558
Mcule: MCULE-9005491581, MCULE-7228254967
UORSY: PB203120340
PubChem: 16322555, 16322556
Mcule Make-on-demand: MCULE-7228254967...8 total

ref: mol2, SDF, SMILES, flexibase
-1.13,13.6,-43.69,0,9,1, 520.664, 5

Similar to: 16565788, 45698031,
43528444
 
#2

eMolecules: 36633738
Molport: MolPort-010-121-799
AKOS: AKOS008129333
Enamine: Z411171236
Mcule: MCULE-7293321088...8 total

ref: mol2, SDF, SMILES, flexibase
1.93,5.79,-19.75,1,8,0, 394.497, 6

Similar to: 43185318, 43491760, 43381464,
4942457
 
#3

eMolecules: 3653768
Molport: MolPort-003-177-219
AKOS: AKOS001207563
IBScreen: STOCK6S-47191
Life Chemicals: F3032-0030...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,-0.87,-12.82,0,5,0, 322.393, 2

Similar to: 4942458,
4942458
 
#4

eMolecules: 3653768
Molport: MolPort-003-177-219
AKOS: AKOS001207563
IBScreen: STOCK6S-47191
Life Chemicals: F3032-0030...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,-0.92,-12.79,0,5,0, 322.393, 2

Similar to: 4942457,
13098530
 
#5

AKOS: AKOS001207439
Mcule: MCULE-5574795212
UORSY: PB166708464
PubChem: 16279793
Mcule Make-on-demand: MCULE-5574795212...5 total

ref: mol2, SDF, SMILES, flexibase
6.88,15.46,-15.17,0,4,0, 462.521, 8

Similar to: 4221415,
7786557
 
#6

AKOS: AKOS001207315
Mcule: MCULE-1751342209
UORSY: PB166708458
PubChem: 9744311
Mcule Make-on-demand: MCULE-1751342209...5 total

ref: mol2, SDF, SMILES, flexibase
3.99,1.5,-10.5,1,6,0, 348.406, 8
13098528
 
#7

eMolecules: 45601382
Molport: MolPort-004-498-025
AKOS: AKOS001207190
Enamine: Z166630982
Mcule: MCULE-4078250870...9 total

ref: mol2, SDF, SMILES, flexibase
7.17,15,-12.79,0,3,0, 451.378, 6
13098527
 
#8

AKOS: AKOS001207189
Mcule: MCULE-5007382423
UORSY: PB166708428
PubChem: 16279612, 44482643
UPCMLD: 85769669...7 total

ref: mol2, SDF, SMILES, flexibase
8.31,17.76,-10.68,0,3,0, 466.65, 8
5043632
 
#9

eMolecules: 5636199
Molport: MolPort-003-177-996
AKOS: AKOS001207930
Life Chemicals: F3074-0021
Mcule: MCULE-6092607397...11 total

ref: mol2, SDF, SMILES, flexibase
4.08,3.66,-15.24,0,6,0, 394.471, 8

Similar to: 5043634, 5043629, 5043631,
5043634
 
#10

eMolecules: 5636199
Molport: MolPort-003-177-996
AKOS: AKOS001207930
Life Chemicals: F3074-0021
Mcule: MCULE-6092607397...11 total

ref: mol2, SDF, SMILES, flexibase
4.08,3.69,-15.46,0,6,0, 394.471, 8

Similar to: 5043629, 5043631, 5043632,
4748883
 
#11

eMolecules: 3583838
Molport: MolPort-002-563-730
AKOS: AKOS001207683
ChemBridge: 5222815
IBScreen: STOCK2S-30709...20 total

ref: mol2, SDF, SMILES, flexibase
3.04,1.91,-11.23,0,5,0, 324.38, 4

Similar to: 34600089, 34600090, 181594, 182734, 182735, ... 7 in total.
181594
 
#12

eMolecules: 3583838
Molport: MolPort-002-563-730
AKOS: AKOS001207683
ChemBridge: 5222815
IBScreen: STOCK2S-30709...20 total

ref: mol2, SDF, SMILES, flexibase
3.04,1.91,-11.24,0,5,0, 324.38, 4

Similar to: 182734, 182735, 441459, 4539040, 4539042, ... 10 in total.
868461
 
#13

Molport: MolPort-001-978-716
AKOS: AKOS000638728
Asinex: BAS02277061
Labotest: LT01322118
Mcule: MCULE-2472667827...12 total

ref: mol2, SDF, SMILES, flexibase
2.80,2.29,-13.2,0,6,0, 354.406, 5
868460
 
#14

Molport: MolPort-001-978-716
AKOS: AKOS000638728
Asinex: BAS02277061
Labotest: LT01322118
Mcule: MCULE-2472667827...12 total

ref: mol2, SDF, SMILES, flexibase
2.80,2.43,-11.61,0,6,0, 354.406, 5
9420081
 
#15

eMolecules: 4773910
Molport: MolPort-002-678-444
AKOS: AKOS001209855
IBScreen: STOCK6S-31251
Life Chemicals: F3194-0111...15 total

ref: mol2, SDF, SMILES, flexibase
4.10,9.63,-18.16,0,7,0, 478.599, 6
9420082
 
#16

eMolecules: 4773910
Molport: MolPort-002-678-444
AKOS: AKOS001209855
IBScreen: STOCK6S-31251
Life Chemicals: F3194-0111...15 total

ref: mol2, SDF, SMILES, flexibase
4.10,9.67,-18.53,0,7,0, 478.599, 6
4942492
 
#17

eMolecules: 3654970
Molport: MolPort-003-177-227
AKOS: AKOS001209737
Life Chemicals: F3032-0076
Mcule: MCULE-1876336298...9 total

ref: mol2, SDF, SMILES, flexibase
4.22,8.21,-14.77,1,6,0, 376.412, 5
hi: mol2, SDF, SMILES, flexibase
4.22,8.99,-52.2,0,6,-1, 375.404, 5

Similar to: 4292048, 4292047, 4291765, 4291766, 505561, ... 8 in total.
4942491
 
#18

eMolecules: 3654970
Molport: MolPort-003-177-227
AKOS: AKOS001209737
Life Chemicals: F3032-0076
Mcule: MCULE-1876336298...9 total

ref: mol2, SDF, SMILES, flexibase
4.22,8.2,-14.27,1,6,0, 376.412, 5
hi: mol2, SDF, SMILES, flexibase
4.22,8.98,-52.22,0,6,-1, 375.404, 5
4942485
 
#19

eMolecules: 3653380
Molport: MolPort-003-177-224
AKOS: AKOS001209623
Enamine: Z166630814
Life Chemicals: F3032-0073...10 total

ref: mol2, SDF, SMILES, flexibase
3.96,8.03,-13.36,1,5,0, 350.349, 3
hi: mol2, SDF, SMILES, flexibase
3.96,8.81,-49.18,0,5,-1, 349.341, 3
4942486
 
#20

eMolecules: 3653380
Molport: MolPort-003-177-224
AKOS: AKOS001209623
Enamine: Z166630814
Life Chemicals: F3032-0073...10 total

ref: mol2, SDF, SMILES, flexibase
3.96,8.02,-13,1,5,0, 350.349, 3
hi: mol2, SDF, SMILES, flexibase
3.96,8.8,-49.14,0,5,-1, 349.341, 3

Similar to: 620276, 620277, 505561, 505562, 4291765, ... 8 in total.
9419514
 
#21

eMolecules: 3653378
Molport: MolPort-002-677-981
AKOS: AKOS001209401
IBScreen: STOCK6S-30503
Life Chemicals: F3194-0114...13 total

ref: mol2, SDF, SMILES, flexibase
3.30,-1.56,-17.74,0,7,0, 438.534, 5
9419515
 
#22

eMolecules: 3653378
Molport: MolPort-002-677-981
AKOS: AKOS001209401
IBScreen: STOCK6S-30503
Life Chemicals: F3194-0114...13 total

ref: mol2, SDF, SMILES, flexibase
3.30,-1.63,-17.88,0,7,0, 438.534, 5
4942488
 
#23

eMolecules: 3708608
Molport: MolPort-003-177-225
AKOS: AKOS001210784
Life Chemicals: F3032-0074
Mcule: MCULE-7185471487...9 total

ref: mol2, SDF, SMILES, flexibase
4.24,8.65,-13.68,1,5,0, 346.386, 3
hi: mol2, SDF, SMILES, flexibase
4.24,9.43,-51.74,0,5,-1, 345.378, 3

Similar to: 4292044, 4292043, 620276, 620277, 505561, ... 9 in total.
4942487
 
#24

eMolecules: 3708608
Molport: MolPort-003-177-225
AKOS: AKOS001210784
Life Chemicals: F3032-0074
Mcule: MCULE-7185471487...9 total

ref: mol2, SDF, SMILES, flexibase
4.24,8.65,-13.33,1,5,0, 346.386, 3
hi: mol2, SDF, SMILES, flexibase
4.24,9.43,-51.75,0,5,-1, 345.378, 3

Similar to: 4292044, 4292043, 620276, 620277, 505561, ... 9 in total.
9260651
 
#25

eMolecules: 3708606
Molport: MolPort-003-285-588
AKOS: AKOS001210664
Life Chemicals: F3194-0077
Mcule: MCULE-1921412615...12 total

ref: mol2, SDF, SMILES, flexibase
3.58,-0.91,-19.55,0,8,0, 462.531, 6
9260650
 
#26

eMolecules: 3708606
Molport: MolPort-003-285-588
AKOS: AKOS001210664
Life Chemicals: F3194-0077
Mcule: MCULE-1921412615...12 total

ref: mol2, SDF, SMILES, flexibase
3.58,-1.36,-16.72,0,8,0, 462.531, 6
9260717
 
#27

eMolecules: 3653376
Molport: MolPort-003-178-106
AKOS: AKOS001209854
Life Chemicals: F3085-0009
Mcule: MCULE-6485910538...13 total

ref: mol2, SDF, SMILES, flexibase
3.52,-2.27,-19.75,1,8,0, 447.9, 6
hi: mol2, SDF, SMILES, flexibase
3.52,-1.69,-44.27,0,8,-1, 446.892, 6
9260718
 
#28

eMolecules: 3653376
Molport: MolPort-003-178-106
AKOS: AKOS001209854
Life Chemicals: F3085-0009
Mcule: MCULE-6485910538...13 total

ref: mol2, SDF, SMILES, flexibase
3.52,-2.51,-23.35,1,8,0, 447.9, 6
hi: mol2, SDF, SMILES, flexibase
3.52,-1.93,-48.21,0,8,-1, 446.892, 6
9419053
 
#29

eMolecules: 4771404
Molport: MolPort-000-856-366
AKOS: AKOS001209735
Enamine: Z166630750
IBScreen: STOCK6S-29884...15 total

ref: mol2, SDF, SMILES, flexibase
4.49,-1.68,-17.35,0,6,0, 462.6, 5
9419054
 
#30

eMolecules: 4771404
Molport: MolPort-000-856-366
AKOS: AKOS001209735
Enamine: Z166630750
IBScreen: STOCK6S-29884...15 total

ref: mol2, SDF, SMILES, flexibase
4.49,-1.75,-17.59,0,6,0, 462.6, 5
9419043
 
#31

eMolecules: 4771376
Molport: MolPort-002-677-613
AKOS: AKOS001209399
IBScreen: STOCK6S-29867
Life Chemicals: F3194-0118...13 total

ref: mol2, SDF, SMILES, flexibase
3.93,1.07,-13.72,0,5,0, 418.547, 4
9260656
 
#32

eMolecules: 4771376
Molport: MolPort-002-677-613
AKOS: AKOS001209399
IBScreen: STOCK6S-29867
Life Chemicals: F3194-0118...13 total

ref: mol2, SDF, SMILES, flexibase
3.93,0.98,-13.98,0,5,0, 418.547, 4
10434545
 
#33

eMolecules: 5659054
Molport: MolPort-004-498-021
AKOS: AKOS001209398
Life Chemicals: F3194-0106
Mcule: MCULE-3412415395...10 total

ref: mol2, SDF, SMILES, flexibase
4.87,1.93,-13.57,0,5,0, 426.545, 5

Similar to: 10434546, 13112498, 3949505, 9260684, ... 4 in total.
10434546
 
#34

eMolecules: 5659054
Molport: MolPort-004-498-021
AKOS: AKOS001209398
Life Chemicals: F3194-0106
Mcule: MCULE-3412415395...10 total

ref: mol2, SDF, SMILES, flexibase
4.87,1.89,-13.97,0,5,0, 426.545, 5

Similar to: 13112498, 3949505, 10434545, 9260684, ... 4 in total.
20472900
 
#35

eMolecules: 2044481
Molport: MolPort-002-097-252
Scientific Exchange (make on demand): POD_27/0019
AKOS: AKOS001209169
ChemBridge: 7953565...17 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.47,-12.63,1,5,0, 300.156, 3
1008873
 
#36

Mcule: MCULE-3915429569
UORSY: PB166708194
PubChem: 1229608, 16276926
SureChEMBL: SCHEMBL15436205
AKOS (make-on-demand): AKOS001210902...7 total

ref: mol2, SDF, SMILES, flexibase
2.63,2.31,-13.61,0,6,0, 354.406, 5

Similar to: 4103706, 4247918, 4247919, 5197549, 5197556, ... 11 in total.
1008872
 
#37

Mcule: MCULE-3915429569
UORSY: PB166708194
PubChem: 1229607, 16276926
SureChEMBL: SCHEMBL15436205
AKOS (make-on-demand): AKOS001210902...7 total

ref: mol2, SDF, SMILES, flexibase
2.63,2.28,-13.59,0,6,0, 354.406, 5

Similar to: 4103706, 4247918, 4247919, 5197549, 5197556, ... 9 in total.
9129280
 
#38

eMolecules: 4725552
Molport: MolPort-002-660-132
AKOS: AKOS001210663
IBScreen: STOCK6S-00767
Life Chemicals: F3194-0079...13 total

ref: mol2, SDF, SMILES, flexibase
4.61,-1.88,-18.26,0,6,0, 462.6, 5

Similar to: 9129507, 9260614, 9260780,
9260614
 
#39

eMolecules: 4725552
Molport: MolPort-002-660-132
AKOS: AKOS001210663
IBScreen: STOCK6S-00767
Life Chemicals: F3194-0079...13 total

ref: mol2, SDF, SMILES, flexibase
4.61,-2.31,-15.56,0,6,0, 462.6, 5

Similar to: 9129280, 9129507,
5044012
 
#40

eMolecules: 3586139
Molport: MolPort-003-178-108
AKOS: AKOS001210437
Enamine: Z166630706
Life Chemicals: F3085-0013...12 total

ref: mol2, SDF, SMILES, flexibase
3.71,-0.87,-13.02,1,5,0, 389.249, 3

Similar to: 5044013,
5044013
 
#41

eMolecules: 3586139
Molport: MolPort-003-178-108
AKOS: AKOS001210437
Enamine: Z166630706
Life Chemicals: F3085-0013...12 total

ref: mol2, SDF, SMILES, flexibase
3.71,-0.74,-13.27,1,5,0, 389.249, 3

Similar to: 9260756, 9260759, 5044012,
5424606
 
#42

eMolecules: 3653118
IBScreen: STOCK5S-98951
Mcule: MCULE-4566746753
Pharmeks: PHAR160423
UORSY: PB166708172...10 total

ref: mol2, SDF, SMILES, flexibase
3.93,-0.76,-12.2,0,5,0, 393.493, 4
5424616
 
#43

eMolecules: 3653118
IBScreen: STOCK5S-98951
Mcule: MCULE-4566746753
Pharmeks: PHAR160423
UORSY: PB166708172...10 total

ref: mol2, SDF, SMILES, flexibase
3.93,-0.78,-16.89,0,5,0, 393.493, 4
4942495
 
#44

eMolecules: 3708582
Molport: MolPort-003-177-229
AKOS: AKOS001210205
Life Chemicals: F3032-0078
Mcule: MCULE-7914004427...10 total

ref: mol2, SDF, SMILES, flexibase
3.69,6.88,-14.03,1,5,0, 338.388, 3
hi: mol2, SDF, SMILES, flexibase
3.69,7.65,-51.14,0,5,-1, 337.38, 3

Similar to: 5066005, 5066007, 6470557, 6470563, 23175865, ... 6 in total.
4942496
 
#45

eMolecules: 3708582
Molport: MolPort-003-177-229
AKOS: AKOS001210205
Life Chemicals: F3032-0078
Mcule: MCULE-7914004427...10 total

ref: mol2, SDF, SMILES, flexibase
3.69,6.88,-13.54,1,5,0, 338.388, 3
hi: mol2, SDF, SMILES, flexibase
3.69,7.65,-51.09,0,5,-1, 337.38, 3

Similar to: 5066005, 5066007, 6470557, 6470563, 23175865, ... 6 in total.
9420123
 
#46

eMolecules: 4774000
Molport: MolPort-002-678-474
AKOS: AKOS001210088
IBScreen: STOCK6S-31298
Life Chemicals: F3194-0120...14 total

ref: mol2, SDF, SMILES, flexibase
4.06,12.11,-15.43,0,6,0, 442.544, 5

Similar to: 10434549, 10434551,
9420124
 
#47

eMolecules: 4774000
Molport: MolPort-002-678-474
AKOS: AKOS001210088
IBScreen: STOCK6S-31298
Life Chemicals: F3194-0120...14 total

ref: mol2, SDF, SMILES, flexibase
4.06,12.18,-15.99,0,6,0, 442.544, 5

Similar to: 10434549, 10434551,
9356736
 
#48

eMolecules: 832968
AK Scientific: HTS003486
AKOS: AKOS000270330
IBScreen BuildingBlocks: BB_NC-00845
IBScreen NP: STOCK1N-41001...31 total

ref: mol2, SDF, SMILES, flexibase
0.74,3.4,-20.27,1,5,0, 217.18, 1

Similar to: 38788895, 38788897, 38788957, 38788960, 38788984, ... 37 in total.
20624371
 
#49

eMolecules: 3654966
Molport: MolPort-000-860-149
AKOS: AKOS001209852
IBScreen: STOCK6S-30233
Life Chemicals: F3172-0011...14 total

ref: mol2, SDF, SMILES, flexibase
2.60,4.49,-11.92,1,6,0, 371.462, 4
hi: mol2, SDF, SMILES, flexibase
2.60,5.13,-52.33,0,6,-1, 370.454, 4
20624368
 
#50

eMolecules: 3654966
Molport: MolPort-000-860-149
AKOS: AKOS001209852
IBScreen: STOCK6S-30233
Life Chemicals: F3172-0011...14 total

ref: mol2, SDF, SMILES, flexibase
2.60,4.41,-12.08,1,6,0, 371.462, 4
hi: mol2, SDF, SMILES, flexibase
2.60,5.04,-51.28,0,6,-1, 370.454, 4
9849240
 
#51

eMolecules: 3557890
Molport: MolPort-003-177-837
AKOS: AKOS001209733
Enamine: Z166630682
Life Chemicals: F3065-0070...12 total

ref: mol2, SDF, SMILES, flexibase
1.83,-6.13,-14.24,2,10,0, 404.404, 7
hi: mol2, SDF, SMILES, flexibase
1.83,-5.56,-48.44,1,10,-1, 403.396, 7
4357127
 
#52

eMolecules: 3653116
Molport: MolPort-003-085-108
AKOS: AKOS001209397
Life Chemicals: F1968-0018
Mcule: MCULE-1138335331...11 total

ref: mol2, SDF, SMILES, flexibase
3.33,3.93,-14.97,0,6,0, 384.407, 7

Similar to: 4357131,
4357131
 
#53

eMolecules: 3653116
Molport: MolPort-003-085-108
AKOS: AKOS001209397
Life Chemicals: F1968-0018
Mcule: MCULE-1138335331...11 total

ref: mol2, SDF, SMILES, flexibase
3.33,3.93,-15,0,6,0, 384.407, 7

Similar to: 4357127,
9419764
 
#54

eMolecules: 4773124
Molport: MolPort-000-855-636
AKOS: AKOS001210549
IBScreen: STOCK6S-30831
Life Chemicals: F3194-0112...17 total

ref: mol2, SDF, SMILES, flexibase
4.08,9.63,-19.7,0,7,0, 478.599, 6
9419765
 
#55

eMolecules: 4773124
Molport: MolPort-000-855-636
AKOS: AKOS001210549
IBScreen: STOCK6S-30831
Life Chemicals: F3194-0112...17 total

ref: mol2, SDF, SMILES, flexibase
4.08,9.68,-20.14,0,7,0, 478.599, 6
10434549
 
#56

eMolecules: 5659062
Molport: MolPort-004-498-019
AKOS: AKOS001210436
Life Chemicals: F3194-0121
Mcule: MCULE-3254929653...10 total

ref: mol2, SDF, SMILES, flexibase
4.90,1.9,-14.9,0,6,0, 456.571, 6

Similar to: 10434551, 9420123, 9420124,
10434551
 
#57

eMolecules: 5659062
Molport: MolPort-004-498-019
AKOS: AKOS001210436
Life Chemicals: F3194-0121
Mcule: MCULE-3254929653...10 total

ref: mol2, SDF, SMILES, flexibase
4.90,1.91,-15.62,0,6,0, 456.571, 6

Similar to: 10434549, 9420123, 9420124,
7814763
 
#58

eMolecules: 4774758
Molport: MolPort-000-851-439
AKOS: AKOS001210435
IBScreen: STOCK6S-31717
Life Chemicals: F3194-0116...14 total

ref: mol2, SDF, SMILES, flexibase
3.29,2.32,-14.4,0,6,0, 402.479, 4

Similar to: 9579583, 9579584,
7814764
 
#59

eMolecules: 4774758
Molport: MolPort-000-851-439
AKOS: AKOS001210435
IBScreen: STOCK6S-31717
Life Chemicals: F3194-0116...14 total

ref: mol2, SDF, SMILES, flexibase
3.29,2.32,-14.78,0,6,0, 402.479, 4

Similar to: 9579583, 9579584,
9849228
 
#60

eMolecules: 5638367
Molport: MolPort-003-178-102
AKOS: AKOS001210202
Enamine: Z166630630
Life Chemicals: F3085-0001...11 total

ref: mol2, SDF, SMILES, flexibase
4.90,-1.92,-11.91,1,5,0, 451.349, 3

Similar to: 9849229,
9849229
 
#61

eMolecules: 5638367
Molport: MolPort-003-178-102
AKOS: AKOS001210202
Enamine: Z166630630
Life Chemicals: F3085-0001...11 total

ref: mol2, SDF, SMILES, flexibase
4.90,-2.32,-15.71,1,5,0, 451.349, 3

Similar to: 9849228,
9044154
 
#62

eMolecules: 4723493
AKOS: AKOS001210085
IBScreen: STOCK5S-99147
Life Chemicals: F3194-0027
Mcule: MCULE-1795988229...14 total

ref: mol2, SDF, SMILES, flexibase
4.32,-1.8,-17.3,0,7,0, 472.57, 6

Similar to: 9044160, 9420168, 9420169, 15972919, 15972921, ... 5 in total.
9044160
 
#63

eMolecules: 4723493
AKOS: AKOS001210085
IBScreen: STOCK5S-99147
Life Chemicals: F3194-0027
Mcule: MCULE-1795988229...14 total

ref: mol2, SDF, SMILES, flexibase
4.32,-1.36,-20.67,0,7,0, 472.57, 6

Similar to: 9420168, 9420169, 15972919, 15972921, ... 5 in total.
9260683
 
#64

eMolecules: 5659056
Molport: MolPort-004-498-018
AKOS: AKOS001209851
Life Chemicals: F3194-0108
Mcule: MCULE-4398468250...13 total

ref: mol2, SDF, SMILES, flexibase
4.48,13.49,-13.83,0,5,0, 426.545, 4

Similar to: 10434547, 3949505,
10434547
 
#65

eMolecules: 5659056
Molport: MolPort-004-498-018
AKOS: AKOS001209851
Life Chemicals: F3194-0108
Mcule: MCULE-4398468250...13 total

ref: mol2, SDF, SMILES, flexibase
4.48,13.55,-14.34,0,5,0, 426.545, 4

Similar to: 3949505, 9260683, 9260783, 9260785, ... 4 in total.
9419462
 
#66

eMolecules: 4772376
Molport: MolPort-002-677-936
IBScreen: STOCK6S-30419
Mcule: MCULE-1034964976
UORSY: PB166708072...11 total

ref: mol2, SDF, SMILES, flexibase
3.68,2.2,-17.19,0,7,0, 472.57, 6
9419463
 
#67

eMolecules: 4772376
Molport: MolPort-002-677-936
IBScreen: STOCK6S-30419
Mcule: MCULE-1034964976
UORSY: PB166708072...11 total

ref: mol2, SDF, SMILES, flexibase
3.68,2.21,-17.64,0,7,0, 472.57, 6
9129507
 
#68

eMolecules: 4726570
Molport: MolPort-002-660-518
AKOS: AKOS001209284
IBScreen: STOCK6S-01558
Life Chemicals: F3194-0078...14 total

ref: mol2, SDF, SMILES, flexibase
4.16,-2.66,-15.63,0,6,0, 448.573, 5

Similar to: 9260614, 9260780, 9129280,
9260780
 
#69

eMolecules: 4726570
Molport: MolPort-002-660-518
AKOS: AKOS001209284
IBScreen: STOCK6S-01558
Life Chemicals: F3194-0078...14 total

ref: mol2, SDF, SMILES, flexibase
4.16,-2.2,-18.51,0,6,0, 448.573, 5

Similar to: 9129280, 9129507,
9960913
 
#70

eMolecules: 5659068
Molport: MolPort-004-143-312
AKOS: AKOS001210898
Life Chemicals: F3194-0148
Mcule: MCULE-3746004059...10 total

ref: mol2, SDF, SMILES, flexibase
4.24,1.72,-15.66,0,6,0, 435.549, 6

Similar to: 9960915,
9960915
 
#71

eMolecules: 5659068
Molport: MolPort-004-143-312
AKOS: AKOS001210898
Life Chemicals: F3194-0148
Mcule: MCULE-3746004059...10 total

ref: mol2, SDF, SMILES, flexibase
4.24,1.74,-15.55,0,6,0, 435.549, 6

Similar to: 9960913,
13098523
 
#72

Mcule: MCULE-3937510817
UORSY: PB166708058
PubChem: 16276868, 25709909
UPCMLD: 85769691
AKOS (make-on-demand): AKOS001210897...7 total

ref: mol2, SDF, SMILES, flexibase
6.90,14.54,-13.42,1,5,0, 482.996, 4

Similar to: 13098522,
13098522
 
#73

Mcule: MCULE-3937510817
UORSY: PB166708058
PubChem: 16276868, 25709908
UPCMLD: 85769691
AKOS (make-on-demand): AKOS001210897...7 total

ref: mol2, SDF, SMILES, flexibase
6.90,14.49,-13.09,1,5,0, 482.996, 4

Similar to: 13098523,
814419
 
#74

eMolecules: 1511494
Molport: MolPort-002-014-503
AKOS: AKOS000638651
Asinex: BAS08978817
ChemBridge: 7909648...21 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.35,-21.52,1,8,0, 409.471, 4
mid: mol2, SDF, SMILES, flexibase
1.93,4.51,-47.5,0,8,-1, 408.463, 4
7981372
 
#75

AKOS: AKOS001218162
Mcule: MCULE-4361792200
UORSY: PB166733268
PubChem: 9109695
Mcule Make-on-demand: MCULE-4361792200...5 total

ref: mol2, SDF, SMILES, flexibase
2.23,0.59,-7.46,1,6,0, 361.467, 6

Similar to: 9770393, 9777230, 9953418, 9953428, 9955132, ... 7 in total.
7979907
 
#76

AKOS: AKOS001216530
Mcule: MCULE-7884298113
UORSY: PB166731608
PubChem: 9107979
Mcule Make-on-demand: MCULE-7884298113...5 total

ref: mol2, SDF, SMILES, flexibase
1.37,7.28,-10.03,2,7,0, 378.841, 5
814418
 
#77

eMolecules: 1511494
Molport: MolPort-002-014-503
AKOS: AKOS000638651
Asinex: BAS08978817
ChemBridge: 7909648...21 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.34,-21.58,1,8,0, 409.471, 4
mid: mol2, SDF, SMILES, flexibase
1.93,4.51,-47.46,0,8,-1, 408.463, 4
1509721
 
#78

Molport: MolPort-002-371-669
Mcule: MCULE-7373178293
UORSY: PB166708048
ChemDB: 5627994
PubChem: 5253904...11 total

ref: mol2, SDF, SMILES, flexibase
4.50,0.39,-15.3,1,4,0, 390.87, 2
1509727
 
#79

Molport: MolPort-002-371-669
Mcule: MCULE-7373178293
UORSY: PB166708048
ChemDB: 5627994
PubChem: 5253904...11 total

ref: mol2, SDF, SMILES, flexibase
4.50,0.24,-10.07,1,4,0, 390.87, 2
9419948
 
#80

eMolecules: 4773592
Molport: MolPort-002-678-331
AKOS: AKOS001210434
IBScreen: STOCK6S-31081
Life Chemicals: F3194-0124...15 total

ref: mol2, SDF, SMILES, flexibase
4.09,12.13,-14.86,0,6,0, 442.544, 5

Similar to: 3949505,
9419949
 
#81

eMolecules: 4773592
Molport: MolPort-002-678-331
AKOS: AKOS001210434
IBScreen: STOCK6S-31081
Life Chemicals: F3194-0124...15 total

ref: mol2, SDF, SMILES, flexibase
4.09,12.19,-15.52,0,6,0, 442.544, 5
9260662
 
#82

Mcule: MCULE-7263243663
UORSY: PB166708042
PubChem: 16276865, 40989263
AKOS (make-on-demand): AKOS001210316
Mcule Make-on-demand: MCULE-7263243663...6 total

ref: mol2, SDF, SMILES, flexibase
3.69,-1.66,-20.7,0,8,0, 508.625, 7
9260666
 
#83

Mcule: MCULE-7263243663
UORSY: PB166708042
PubChem: 16276865, 40989264
AKOS (make-on-demand): AKOS001210316
Mcule Make-on-demand: MCULE-7263243663...6 total

ref: mol2, SDF, SMILES, flexibase
3.69,-1.7,-21.17,0,8,0, 508.625, 7
9260849
 
#84

Mcule: MCULE-5113596346
UORSY: PB166708040
PubChem: 16276864, 40989366
AKOS (make-on-demand): AKOS001210201
Mcule Make-on-demand: MCULE-5113596346...6 total

ref: mol2, SDF, SMILES, flexibase
6.93,-1.56,-13.68,1,5,0, 482.996, 4
9260847
 
#85

Mcule: MCULE-5113596346
UORSY: PB166708040
PubChem: 16276864, 40989364
AKOS (make-on-demand): AKOS001210201
Mcule Make-on-demand: MCULE-5113596346...6 total

ref: mol2, SDF, SMILES, flexibase
6.93,-1.57,-14.01,1,5,0, 482.996, 4
13098519
 
#86

Mcule: MCULE-2767172216
UORSY: PB166708028
PubChem: 16276859, 25709905
UPCMLD: 85769688
AKOS (make-on-demand): AKOS001209849...7 total

ref: mol2, SDF, SMILES, flexibase
6.95,14.18,-13.41,1,6,0, 513.022, 5

Similar to: 13098518,
13098518
 
#87

Mcule: MCULE-2767172216
UORSY: PB166708028
PubChem: 16276859, 25709904
UPCMLD: 85769688
AKOS (make-on-demand): AKOS001209849...7 total

ref: mol2, SDF, SMILES, flexibase
6.95,14,-15.04,1,6,0, 513.022, 5

Similar to: 13098519,
4487904
 
#88

eMolecules: 1533415
AKOS: AKOS000651312
IBScreen: STOCK7S-06651
Life Chemicals: F3026-0038
Mcule: MCULE-6009384741...15 total

ref: mol2, SDF, SMILES, flexibase
2.58,-0.39,-17.3,0,6,0, 355.39, 5

Similar to: 39915659, 39915660, 39915661, 39915662, 39915663, ... 12 in total.
6809370
 
#89

eMolecules: 2634324
AKOS: AKOS001445186
Mcule: MCULE-3735997643
Otava: 7118030033
UORSY: PB324630270...13 total

ref: mol2, SDF, SMILES, flexibase
4.58,2.58,-9.84,0,4,0, 337.419, 6

Similar to: 4537620, 4537627,
8059845
 
#90

eMolecules: 6907514
AKOS: AKOS001445069
Mcule: MCULE-6459993807
UORSY: PB324630268
Vitas-M: STK866015...10 total

ref: mol2, SDF, SMILES, flexibase
3.91,0.79,-15.05,0,4,0, 336.174, 4

Similar to: 39287589, 39287590, 39287591, 39287592, 39287593, ... 39 in total.
11692661
 
#91

eMolecules: 17126835
Molport: MolPort-004-669-131
AKOS: AKOS001444955
Life Chemicals: F3369-0655
Mcule: MCULE-4051232753...11 total

ref: mol2, SDF, SMILES, flexibase
3.15,2.62,-13.54,0,4,0, 293.322, 5
11612458
 
#92

eMolecules: 6911126
Molport: MolPort-000-880-637
AKOS: AKOS000245355
Alinda Building Blocks: ALBB-016872
Enamine: Z324552784...23 total

ref: mol2, SDF, SMILES, flexibase
3.34,0.97,-8.84,0,3,0, 296.164, 3

Similar to: 42079062, 42117913, 42117948, 42117978, 42118043, ... 8 in total.
17113144
 
#93

eMolecules: 9268492
AKOS: AKOS001444608
Life Chemicals: F1641-0140
Mcule: MCULE-2368467291
UORSY: PB324630242...10 total

ref: mol2, SDF, SMILES, flexibase
4.15,11.54,-12.98,0,4,0, 323.392, 6
11692625
 
#94

eMolecules: 17126556
Molport: MolPort-004-669-127
AKOS: AKOS001444380
Mcule: MCULE-3362923331
Otava: 7119812690...10 total

ref: mol2, SDF, SMILES, flexibase
3.78,0.92,-9.71,0,4,0, 289.404, 4
11692628
 
#95

eMolecules: 17126560
Molport: MolPort-004-669-126
AKOS: AKOS001444379
IBScreen: STOCK7S-14161
Mcule: MCULE-6894477513...12 total

ref: mol2, SDF, SMILES, flexibase
2.79,-0.14,-10.35,0,5,0, 303.387, 2
30005218
 
#96

AKOS: AKOS008109740
Mcule: MCULE-6004868376
UORSY: PB319998490
PubChem: 37303635
Mcule Make-on-demand: MCULE-6004868376...5 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.49,-9.09,4,4,0, 272.377, 2
mid: mol2, SDF, SMILES, flexibase
2.24,8.01,-37.5,5,4,1, 273.385, 3
22864790
 
#97

AKOS: AKOS008109714
Mcule: MCULE-2692385968
UORSY: PB319998408
TimTec Make-on-Demand: OVS21371026
BindingDB.org: 50367980...16 total

ref: mol2, SDF, SMILES, flexibase
3.09,5.74,-11.54,4,4,0, 252.73, 2
mid: mol2, SDF, SMILES, flexibase
2.23,6.22,-37.51,5,4,1, 253.738, 3
246039
 
#98

eMolecules: 18498928
Molport: MolPort-004-667-416
AKOS: AKOS001469255
ChemDiv: C489-0310
Mcule: MCULE-5909854648...11 total

ref: mol2, SDF, SMILES, flexibase
2.86,-0.37,-14.61,1,5,0, 340.404, 5
11692626
 
#99

eMolecules: 17126558
Molport: MolPort-004-667-413
AKOS: AKOS001468893
IBScreen: STOCK7S-04960
Mcule: MCULE-3152501312...11 total

ref: mol2, SDF, SMILES, flexibase
3.31,1.5,-12.85,0,5,0, 333.457, 6
12776736
 
#100

eMolecules: 9268538
AKOS: AKOS001469972
Enamine: Z319610068
Life Chemicals: F1641-0213
Mcule: MCULE-6394318217...9 total

ref: mol2, SDF, SMILES, flexibase
3.40,9.52,-16.7,0,5,0, 401.26, 4

Similar to: 16892748, 16892749, 16892751, 16892752, 16893684, ... 126 in total.

Old detail retrieval took 2 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 = 126 ) limit 0,100

Smiles were