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2516866
 
#1

eMolecules: 538673
AK Scientific: K571
AKOS: AKOS003628599, AKOS015856492
Aldrich CPR: S960071|ALDRICH
Alfa-Aesar: A12813...406 total

ref: mol2, SDF, SMILES, flexibase
-3.50,-8.81,-15.78,5,6,0, 180.156, 5
ref: mol2, SDF, SMILES, flexibase
-2.64,-9.2,-12.68,5,6,0, 180.156, 5
hi: mol2, SDF, SMILES, flexibase
-3.50,-8.06,-56.02,4,6,-1, 179.148, 5

Similar to: 3650859, 4095647, 4095649, 32239504, 32239507, ... 14 in total.
88604383
 
#2

Molport: MolPort-002-466-178
Ark Pharm Building Blocks: AK130013
Chembo Pharma: KB-48525
Enamine Building Blocks: EN300-08795
Lab Seeker Building Blocks: SC-40662...20 total

40448957
 
#3

AK Scientific: Y5362
Anward: ANW-74794
Apexmol Building Blocks: AM20040039
Ark Pharm Building Blocks: AK-27875
BePharm Building Blocks: B158923...31 total

ref: mol2, SDF, SMILES, flexibase
1.33,3.59,-8.96,1,3,0, 143.149, 0
ref: mol2, SDF, SMILES, flexibase
1.33,3.65,-14.84,1,3,0, 143.149, 0
95079338
 
#4

AK Scientific: X0216
Aldrich CPR: L510610|ALDRICH
Alfa-Aesar: H64966
Angene Building Blocks: AGN-PC-00OIR3
Apexmol Building Blocks: AM61442...28 total

86040405
 
#5

AK Scientific: O025
Ark Pharm Building Blocks: AK-35798
BePharm Building Blocks: B3041
Bide Pharmatech BB: BD3041
Chembo Pharma: KB-63346...21 total

66147791
 
#6

Lab Seeker Building Blocks: SC-60644
StruChem BB make-on-demand: SC-60644
BindingDB.org: 46286
ChEMBL12: CHEMBL1705741
ChEMBL19: CHEMBL1705741...5 total

ref: mol2, SDF, SMILES, flexibase
3.84,6.76,-15.17,2,3,0, 359.344, 6
6862867
 
#7

BOC Sciences BB: 200504-48-9
Chembo Pharma: KB-279893
Lab Seeker Building Blocks: SC-60948
StruChem BB make-on-demand: SC-60948
ChemDB: 6049100...8 total

ref: mol2, SDF, SMILES, flexibase
1.39,1.91,-7.52,3,3,0, 186.161, 2
38392418
 
#8

Lab Seeker Building Blocks: SC-60346
StruChem BB make-on-demand: SC-60346
Alfa Chemistry (Depleted): ACM14885075
BOC Sciences BB (Depleted): 14885-07-5
ref: mol2, SDF, SMILES, flexibase
1.70,4.55,-27.94,5,3,1, 219.095, 2
ref: mol2, SDF, SMILES, flexibase
1.83,4.5,-28.69,5,3,1, 219.095, 3
27201891
 
#9

Lab Seeker Building Blocks: SC-62778
Sphinx Make-on-demand: NAP-1-0038
StruChem BB make-on-demand: SC-62778
BindingDB.org: 50421651
ChEMBL12: CHEMBL123155...8 total

ref: mol2, SDF, SMILES, flexibase
3.49,5.61,-6.61,1,2,0, 206.628, 1
hi: mol2, SDF, SMILES, flexibase
3.49,6.6,-47.72,0,2,-1, 205.62, 1

Similar to: 34453162,
19171631
 
#10

EDASA Scientific: BB0218181
Fluorochem: 042255
Lab Seeker Building Blocks: SC-59964
StruChem BB make-on-demand: SC-59964
BOC Sciences BB (Depleted): 10584-43-7...6 total

ref: mol2, SDF, SMILES, flexibase
-1.84,-0.71,-46.93,7,4,1, 167.236, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,0.05,-42.15,7,4,1, 167.236, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,-0.16,-91.26,8,4,2, 168.244, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,-0.51,-4.01,6,4,0, 166.228, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,-0.93,-95.05,8,4,2, 168.244, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,0.59,-89.31,8,4,2, 168.244, 4
19265147
 
#11

Lab Seeker Building Blocks: SC-59916
StruChem BB make-on-demand: SC-59916
Alfa Chemistry (Depleted): ACM1016728178
PubChem: 20113011
Enamine BB Make on Demand: BBV-37836175...6 total

ref: mol2, SDF, SMILES, flexibase
0.35,2.43,-41.78,4,2,1, 143.235, 3
mid: mol2, SDF, SMILES, flexibase
0.35,1.67,-43.77,4,2,1, 143.235, 3
mid: mol2, SDF, SMILES, flexibase
0.35,1.86,-4.38,3,2,0, 142.227, 3
19386617
 
#12

Lab Seeker Building Blocks: SC-59955
StruChem BB make-on-demand: SC-59955
Alfa Chemistry (Depleted): ACM1016500110
PubChem: 20118671
Enamine BB Make on Demand: BBV-047524...6 total

ref: mol2, SDF, SMILES, flexibase
-0.56,2.15,-38.96,4,3,1, 141.194, 2
mid: mol2, SDF, SMILES, flexibase
-0.56,1.37,-46.85,4,3,1, 141.194, 2
mid: mol2, SDF, SMILES, flexibase
-0.56,1.57,-4.71,3,3,0, 140.186, 2
19168031
 
#13

American Custom Chemicals Corp.: CHM0143940
Chembo Pharma: KB-216937
Lab Seeker Building Blocks: SC-60002
StruChem BB make-on-demand: SC-60002
Leadscope via PubChem: LS-76900...7 total

ref: mol2, SDF, SMILES, flexibase
0.85,3.83,-42.36,4,2,1, 151.233, 3
mid: mol2, SDF, SMILES, flexibase
0.85,3.07,-44.12,4,2,1, 151.233, 3
mid: mol2, SDF, SMILES, flexibase
0.85,3.26,-4.11,3,2,0, 150.225, 3
96125961
 
#14

Lab Seeker Building Blocks: SC-60055
StruChem BB make-on-demand: SC-60055
96125960
 
#15

Lab Seeker Building Blocks: SC-60055
StruChem BB make-on-demand: SC-60055
2529982
 
#16

Aldrich CPR: L320153|ALDRICH
American Custom Chemicals Corp.: CHM0097890
Chembo Pharma: KB-277540
ChemDiv BuildingBlocks: BB20-3236
Chemstep: 5019...16 total

ref: mol2, SDF, SMILES, flexibase
2.36,3.86,-3.28,0,2,0, 149.193, 2
ref: mol2, SDF, SMILES, flexibase
3.18,3.92,-4.68,1,2,0, 149.193, 1
96125959
 
#17

Lab Seeker Building Blocks: SC-59959
StruChem BB make-on-demand: SC-59959
96125958
 
#18

Lab Seeker Building Blocks: SC-59970
StruChem BB make-on-demand: SC-59970
BOC Sciences BB (Depleted): 25198-48-5
96335052
 
#19

Molport: MolPort-020-167-600
Chembo Pharma: KB-214974
Enamine Building Blocks: EN300-82494
Lab Seeker Building Blocks: SC-60012
Ryan Scientific BB: 047-65755...7 total

52986906
 
#20

Enolase via KEGG (EFI): C03283_2
Scientific Exchange (make on demand): F-441608
AK Scientific: 3213AB, 1360AC, W7673, V1165, X3169
Alfa-Aesar: A15408, L10093
Alinda Building Blocks: ALBB-025018...135 total

hi: mol2, SDF, SMILES, flexibase
2.50,6.11,-84.93,6,7,2, 475.637, 8
12844147
 
#21

eMolecules: 46478659, 46369948
Molport: MolPort-003-837-386
Scientific Exchange (make on demand): R-087120, F-313927
AK Scientific: 2988AE
AKOS: AKOS002675793...38 total

ref: mol2, SDF, SMILES, flexibase
-1.34,0.77,-11.73,4,5,0, 158.186, 1
ref: mol2, SDF, SMILES, flexibase
-1.21,0.49,-10.13,5,5,0, 159.194, 1
hi: mol2, SDF, SMILES, flexibase
-1.34,0.38,-36.77,3,5,-1, 157.178, 1
hi: mol2, SDF, SMILES, flexibase
-1.34,0.8,-30.69,3,5,-1, 157.178, 1
96287878
 
#22

Lab Seeker Building Blocks: SC-59978
96287877
 
#23

Lab Seeker Building Blocks: SC-59978
96287876
 
#24

Lab Seeker Building Blocks: SC-59978
96287875
 
#25

Lab Seeker Building Blocks: SC-59978
19393296
 
#26

Lab Seeker Building Blocks: SC-59915
StruChem BB make-on-demand: SC-59915
Alfa Chemistry (Depleted): ACM1016516101
PubChem: 20120135
Enamine BB Make on Demand: BBV-049797...6 total

ref: mol2, SDF, SMILES, flexibase
1.64,5.57,-44.42,4,2,1, 187.266, 3
mid: mol2, SDF, SMILES, flexibase
1.64,4.82,-45.73,4,2,1, 187.266, 3
hi: mol2, SDF, SMILES, flexibase
1.64,5.01,-5.32,3,2,0, 186.258, 3
96125942
 
#27

Molport: MolPort-018-617-033
AK Scientific: 2019AE
Alinda Building Blocks: ALBB-014983
Ark Pharm Building Blocks: AK164807
ChemDiv BuildingBlocks: BB55-8129...19 total

96125940
 
#28

Lab Seeker Building Blocks: SC-59592
StruChem BB make-on-demand: SC-59592
Debye Scientific BB (Depleted): DB-066351
96125939
 
#29

Lab Seeker Building Blocks: SC-59914
StruChem BB make-on-demand: SC-59914
96125938
 
#30

Innovapharm Building Blocks: BBS-00021628
Lab Seeker Building Blocks: SC-59920
Life Chemicals Building Blocks: F2147-1217
StruChem BB make-on-demand: SC-59920
ChemDiv BB (Depleted): BB25-0114...7 total

96125937
 
#31

Innovapharm Building Blocks: BBS-00021628
Lab Seeker Building Blocks: SC-59920
Life Chemicals Building Blocks: F2147-1217
StruChem BB make-on-demand: SC-59920
ChemDiv BB (Depleted): BB25-0114...7 total

19418967
 
#32

eMolecules: 496458
Molport: MolPort-001-794-396
AK Scientific: HTS000824
Ark Pharm Building Blocks: AK126218
Capot Chemical: 7252...37 total

4243067
 
#33

eMolecules: 3809687
AKOS: AKOS000193333
Aldrich CPR: JRD0026|ALDRICH
Alinda Building Blocks: ALBB-007419
Ark Pharm Building Blocks: AK-57175...37 total

ref: mol2, SDF, SMILES, flexibase
2.03,3.57,-7.68,3,4,0, 203.245, 3
ref: mol2, SDF, SMILES, flexibase
2.03,3.57,-7,3,4,0, 203.245, 3
mid: mol2, SDF, SMILES, flexibase
2.03,3.67,-33.97,4,4,1, 204.253, 3

Similar to: 34386311, 3676707, 3676714,
89222928
 
#34

Molport: MolPort-020-237-586
AK Scientific: 0074AB, X9318, Z3438
Amadis Chemical: A847383
Angene Building Blocks: AGN-PC-01M1LP
Apexmol Building Blocks: AM803017...45 total

hi: mol2, SDF, SMILES, flexibase
1.85,5.76,-19.81,1,4,0, 212.245, 5
96125936
 
#35

Enamine Building Blocks: EN300-174440
Lab Seeker Building Blocks: SC-59958
StruChem BB make-on-demand: SC-59958
Alfa Chemistry (Depleted): ACM1016741211
4992729
 
#36

ChemMol: 96709697
Molport: MolPort-016-634-897
AK Scientific: V3418
AKOS: AKOS008122348
Aldrich CPR: CDS019332|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
0.53,1.58,-7.74,3,4,0, 160.18, 1
mid: mol2, SDF, SMILES, flexibase
0.53,1.54,-7.53,3,4,0, 160.18, 1
hi: mol2, SDF, SMILES, flexibase
0.05,2.01,-12.42,2,4,0, 160.18, 1
lo: mol2, SDF, SMILES, flexibase
0.53,1.7,-31.52,4,4,1, 161.188, 1

Similar to: 26511665,
170835
 
#37

eMolecules: 4853730
Molport: MolPort-001-777-484
AK Scientific: 0696AB
Anward: ANW-56152
Apollo Scientific: PC8746...37 total

ref: mol2, SDF, SMILES, flexibase
2.47,4.35,-8.43,3,3,0, 227.189, 2
ref: mol2, SDF, SMILES, flexibase
2.16,4.89,-40.16,3,3,1, 228.197, 2
mid: mol2, SDF, SMILES, flexibase
2.47,4.33,-7.26,3,3,0, 227.189, 2
lo: mol2, SDF, SMILES, flexibase
2.47,4.45,-35.29,4,3,1, 228.197, 2

Similar to: 39955192,
89223846
 
#38

A&J Pharmtech: AJ-02808
AK Scientific: X9919, 6197AB
Apexmol Building Blocks: AM81181
Ark Pharm Building Blocks: AK-37648, AK-76649, AK-76387
Bide Pharmatech BB: BD27186...29 total

hi: mol2, SDF, SMILES, flexibase
2.96,7.04,-31.07,3,3,1, 292.406, 2
68561925
 
#39

eMolecules: 36729232
Molport: MolPort-018-617-298
AKOS: AKOS005138248
BOC Sciences BB: 10523-64-5
Chembo Pharma: KB-223285...17 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.05,-26.95,4,4,0, 175.191, 0
4234613
 
#40

eMolecules: 709823
Molport: MolPort-002-678-827
ACB Blocks: APY-0066, ACB-0940
AKOS: AKOS000186137, AKOS001476503
Asinex: BAS07743429...34 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.66,-7.13,3,3,0, 209.252, 1
ref: mol2, SDF, SMILES, flexibase
2.76,5.66,-8.9,3,3,0, 209.252, 1
lo: mol2, SDF, SMILES, flexibase
2.76,5.79,-28.72,4,3,1, 210.26, 1

Similar to: 3676666,
95351671
 
#41

eMolecules: 840819, 643414
AK Scientific: 7158AC
Aldrich CPR: R523968|ALDRICH
Alinda: IBS-B0012871
Alinda Building Blocks: ALBB-012871...48 total

95351670
 
#42

eMolecules: 840819, 643414
AK Scientific: 7158AC
Aldrich CPR: R523968|ALDRICH
Alinda: IBS-B0012871
Alinda Building Blocks: ALBB-012871...48 total

5155448
 
#43

ChemMol: 97801932
eMolecules: 25054942, 1884689
Molport: MolPort-001-759-033
AK Scientific: V3417
AKOS: AKOS000186654...68 total

ref: mol2, SDF, SMILES, flexibase
1.61,2.83,-7.57,3,4,0, 189.218, 2
ref: mol2, SDF, SMILES, flexibase
1.61,2.95,-9.73,3,4,0, 189.218, 2
lo: mol2, SDF, SMILES, flexibase
1.61,2.98,-25.68,4,4,1, 190.226, 2
3887540
 
#44

eMolecules: 2860916
Molport: MolPort-002-466-246
ACB Blocks: APY-0216
Ark Pharm Building Blocks: AK-59404
Bide Pharmatech BB: BD27518...38 total

ref: mol2, SDF, SMILES, flexibase
1.53,4.07,-12.5,3,6,0, 204.189, 2
mid: mol2, SDF, SMILES, flexibase
1.53,4.04,-11.05,3,6,0, 204.189, 2

Similar to: 34976168, 39120276,
19404364
 
#45

Lab Seeker Building Blocks: SC-60074
StruChem BB make-on-demand: SC-60074
Alfa Chemistry (Depleted): ACM1016700392
Enamine BB Make on Demand: BBV-053616
UORSY BB Make-on-demand: BBV-053616...5 total

ref: mol2, SDF, SMILES, flexibase
1.03,3.59,-41.72,4,3,1, 181.259, 5
mid: mol2, SDF, SMILES, flexibase
1.03,2.83,-45.98,4,3,1, 181.259, 5
mid: mol2, SDF, SMILES, flexibase
1.03,3.04,-5.26,3,3,0, 180.251, 5
96328184
 
#46

BOC Sciences BB: 21085-57-4
Fluorochem: 034215
Lab Seeker Building Blocks: SC-60165
4234698
 
#47

eMolecules: 705163, 709999
Molport: MolPort-002-506-676
ACB Blocks: APY-0171
AK Scientific: 7653AC, W9817
AKOS: AKOS001476500...79 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.64,-7.58,3,4,0, 189.218, 2
ref: mol2, SDF, SMILES, flexibase
1.63,2.66,-9.65,3,4,0, 189.218, 2
lo: mol2, SDF, SMILES, flexibase
1.63,2.78,-29.1,4,4,1, 190.226, 2

Similar to: 26511844, 3676722, 3676775,
8729812
 
#48

ChemMol: 44029938
AK Scientific: V3416
Aldrich CPR: JRD0045|ALDRICH
Anward: ANW-55671
Ark Pharm Building Blocks: AK-59658...38 total

ref: mol2, SDF, SMILES, flexibase
2.38,3.97,-6.19,3,3,0, 238.088, 1
ref: mol2, SDF, SMILES, flexibase
2.07,4.51,-34.31,3,3,1, 239.096, 1
mid: mol2, SDF, SMILES, flexibase
2.38,3.95,-6.07,3,3,0, 238.088, 1
lo: mol2, SDF, SMILES, flexibase
2.38,4.1,-30.46,4,3,1, 239.096, 1
95644690
 
#49

AK Scientific: V4274
Alinda Building Blocks: ALBB-021253
Angene Building Blocks: AGN-PC-0L0JNZ
Chembo Pharma: KB-40745
ChemDiv BuildingBlocks: BB01-5797...10 total

1403937
 
#50

eMolecules: 30519030
Molport: MolPort-002-883-500
ACB Blocks: APY-0175
AKOS: AKOS000185615, AKOS001476781
Ark Pharm Building Blocks: AK-83708...29 total

ref: mol2, SDF, SMILES, flexibase
2.88,4.33,-5.74,3,3,0, 228.082, 1
ref: mol2, SDF, SMILES, flexibase
2.88,4.31,-6.14,3,3,0, 228.082, 1
lo: mol2, SDF, SMILES, flexibase
2.88,4.39,-36.77,4,3,1, 229.09, 1

Similar to: 3676760,
95081019
 
#51

Chembo Pharma: KB-259468, KB-88635
Enamine Building Blocks: EN300-206466, EN300-110516
Lab Seeker Building Blocks: SC-58990
Ryan Scientific BB: 047-77538
StruChem BB make-on-demand: SC-58990...8 total

13541008
 
#52

Chembo Pharma: KB-49606
Lab Seeker Building Blocks: SC-11383
Molport BB: MolPort-006-069-260
Ryan Scientific: 107-58023
Sequoia Research Products: 528-50-7...15 total

ref: mol2, SDF, SMILES, flexibase
-4.45,-15.52,-14.19,8,11,0, 342.297, 8

Similar to: 15657699, 26256569, 34547304, 40164507, ... 18 in total.
4419619
 
#53

eMolecules: 8236910
Molport: MolPort-002-816-706
AK Scientific: 0171AB
Anward: ANW-68427
Ark Pharm Building Blocks: AK-79627...15 total

ref: mol2, SDF, SMILES, flexibase
2.10,2.5,-7.77,2,3,0, 188.23, 3
mid: mol2, SDF, SMILES, flexibase
1.91,2.92,-64.13,3,3,1, 189.238, 2

Similar to: 39251510,
87612240
 
#54

AK Scientific: 0948AB
Aldrich CPR: CDS010661|ALDRICH
Ark Pharm Building Blocks: AK-72769
BePharm Building Blocks: B44457
Chembo Pharma: KB-96651...24 total

4125401
 
#55

eMolecules: 2790918
Molport: MolPort-002-343-754
AKOS: AKOS005453033
Lab Seeker Building Blocks: SC-58665
Mcule: MCULE-3734693529...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,9.33,-15.26,2,4,0, 351.475, 1
ref: mol2, SDF, SMILES, flexibase
4.07,6.23,-9.3,2,4,0, 351.475, 1
lo: mol2, SDF, SMILES, flexibase
4.07,7.69,-32.83,3,4,1, 352.483, 1

Similar to: 4006273, 4006274, 4109070, 4109071, 4109072, ... 9 in total.
4125400
 
#56

eMolecules: 2790918
Molport: MolPort-002-343-754
AKOS: AKOS005453033
Lab Seeker Building Blocks: SC-58665
Mcule: MCULE-3734693529...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,9.33,-15.18,2,4,0, 351.475, 1
ref: mol2, SDF, SMILES, flexibase
4.07,6.25,-9.3,2,4,0, 351.475, 1
lo: mol2, SDF, SMILES, flexibase
4.07,7.71,-32.82,3,4,1, 352.483, 1

Similar to: 4125401, 4006273, 4006274, 4109070, 4109071, ... 9 in total.
4125399
 
#57

eMolecules: 2790918
Molport: MolPort-002-343-754
AKOS: AKOS005453033
Lab Seeker Building Blocks: SC-58665
Mcule: MCULE-3734693529...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,9.33,-15.22,2,4,0, 351.475, 1
ref: mol2, SDF, SMILES, flexibase
4.07,6.25,-9.29,2,4,0, 351.475, 1
lo: mol2, SDF, SMILES, flexibase
4.07,7.71,-32.83,3,4,1, 352.483, 1

Similar to: 4125400, 4125401, 4006273, 4006274, 4109070, ... 9 in total.
4125398
 
#58

eMolecules: 2790918
Molport: MolPort-002-343-754
AKOS: AKOS005453033
Lab Seeker Building Blocks: SC-58665
Mcule: MCULE-3734693529...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,9.33,-15.27,2,4,0, 351.475, 1
ref: mol2, SDF, SMILES, flexibase
4.07,6.23,-9.29,2,4,0, 351.475, 1
lo: mol2, SDF, SMILES, flexibase
4.07,7.69,-32.82,3,4,1, 352.483, 1

Similar to: 4125399, 4125400, 4125401,
54954669
 
#59

eMolecules: 719704
Molport: MolPort-001-757-884
Acros Organics: 38276
Aldrich CPR: CDS004651|ALDRICH
Anward: ANW-59423...36 total

8628503
 
#60

eMolecules: 15963857
AK Scientific: 6554AA, 1910AB
Alinda Building Blocks: ALBB-005502
Anward: ANW-69397
Ark Pharm Building Blocks: AK128652...42 total

ref: mol2, SDF, SMILES, flexibase
1.32,5.83,-14.09,1,4,0, 217.224, 3
mid: mol2, SDF, SMILES, flexibase
2.62,5.41,-39.47,0,4,-1, 216.216, 3
mid: mol2, SDF, SMILES, flexibase
2.62,3.65,-9.03,1,4,0, 217.224, 3

Similar to: 31067760, 31068450, 31068583, 31068705, 31068762, ... 10 in total.
85224298
 
#61

AK Scientific: 4777AA
Anward: ANW-67121
Ark Pharm Building Blocks: AK-89955
BePharm Building Blocks: B238312
Bide Pharmatech BB: BD238312...12 total

ref: mol2, SDF, SMILES, flexibase
1.22,0.35,-5.83,2,3,0, 152.128, 0
mid: mol2, SDF, SMILES, flexibase
1.22,0.43,-8.53,2,3,0, 152.128, 0
hi: mol2, SDF, SMILES, flexibase
1.22,1.1,-37.83,1,3,-1, 151.12, 0
hi: mol2, SDF, SMILES, flexibase
1.22,1.19,-48.98,1,3,-1, 151.12, 0
14977914
 
#62

Lab Seeker Building Blocks: SC-49922
StruChem BB make-on-demand: SC-49922
BindingDB.org: 22105
ChEMBL12: CHEMBL270904
ChEMBL12 10uM: CHEMBL270904...6 total

ref: mol2, SDF, SMILES, flexibase
-0.21,-0.73,-56.39,3,6,0, 234.259, 3
mid: mol2, SDF, SMILES, flexibase
-0.67,-2.37,-19.04,3,6,0, 234.259, 3
mid: mol2, SDF, SMILES, flexibase
-0.21,-3.5,-51.64,2,6,-1, 233.251, 3
mid: mol2, SDF, SMILES, flexibase
-0.67,0.9,-46.66,4,6,1, 235.267, 3
mid: mol2, SDF, SMILES, flexibase
-0.67,-2.94,-22.61,3,6,0, 234.259, 3
mid: mol2, SDF, SMILES, flexibase
-0.67,0.26,-65.31,4,6,1, 235.267, 3
56887
 
#63

eMolecules: 505211, 2301067
Molport: MolPort-002-904-423, MolPort-002-114-132
ChemBridge: 5352274
Lab Seeker Building Blocks: SC-51560
Labotest: LT00451600...24 total

ref: mol2, SDF, SMILES, flexibase
3.50,2.91,-4.68,0,4,0, 266.385, 4
lo: mol2, SDF, SMILES, flexibase
3.33,4.41,-22.33,2,4,1, 267.393, 3

Similar to: 34403116, 39131107, 39647583,
59299461
 
#64

Anward: ANW-41302
Lab Seeker Building Blocks: SC-49596
StruChem BB: SC-49596
Tractus: TRA0068166
PubChem: 15769254...8 total

96017931
 
#65

Alinda Building Blocks: ALBB-013779
Apexmol Building Blocks: AM803683
Ark Pharm Building Blocks: AK109913
Chembo Pharma: KB-32775
ChemDiv BuildingBlocks: BB55-7325...19 total

53682357
 
#66

BioSynth: W-108385
Lab Seeker Building Blocks: SC-49908
StruChem BB: SC-49908
Leadscope via PubChem: LS-153905
PubChem: 25200007...5 total

90393818
 
#67

eMolecules: 591972
Acros Organics: 12551
AK Scientific: Y3212, Z2576
Alfa-Aesar: A13145
Angene Building Blocks: AGN-PC-0TW6PF...36 total

12356776
 
#68

eMolecules: 847269, 2047435
Molport: MolPort-011-966-031, MolPort-002-130-114
AK Scientific: 5535AA
Ark Pharm Building Blocks: AK-57302, AK143470
Bosche Scientific: C14729...49 total

ref: mol2, SDF, SMILES, flexibase
0.75,0.9,-5.05,3,3,0, 131.566, 0
mid: mol2, SDF, SMILES, flexibase
0.75,0.91,-5.31,3,3,0, 131.566, 0
hi: mol2, SDF, SMILES, flexibase
0.39,1.18,-8.88,2,3,0, 131.566, 0
hi: mol2, SDF, SMILES, flexibase
0.39,1.18,-8.96,2,3,0, 131.566, 0
lo: mol2, SDF, SMILES, flexibase
0.75,1.02,-28.61,4,3,1, 132.574, 0

Similar to: 38220520, 39133935,
95627763
 
#69

AK Scientific: 3728AD
Alfa-Aesar: H32524
Ark Pharm Building Blocks: AK145235, AK144991, AK142790
Chemstep: 70133
Fluorochem: 036011...14 total

95627765
 
#70

AK Scientific: 3728AD
Alfa-Aesar: H32524
Ark Pharm Building Blocks: AK145235, AK144991, AK142790
Chemstep: 70133
Fluorochem: 036011...14 total

39057951
 
#71

Chemstep: 24831
Fluorochem: 304238
Lab Seeker Building Blocks: SC-45435
StruChem BB: SC-45435
Enamine BB Make on Demand: BBV-38216899...6 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.88,-43.74,3,3,1, 158.221, 3
mid: mol2, SDF, SMILES, flexibase
0.82,2.66,-3.39,2,3,0, 157.213, 3
45328682
 
#72

AK Scientific: W4787
Anward: ANW-48765
Ark Pharm Building Blocks: AK-37772
BePharm Building Blocks: B163760
Bide Pharmatech BB: BD163760...13 total

ref: mol2, SDF, SMILES, flexibase
3.03,2.56,-39.29,0,2,-1, 229.078, 0
lo: mol2, SDF, SMILES, flexibase
2.30,3.52,-10.01,1,2,0, 230.086, 0
95192363
 
#73

Angene Building Blocks: AGN-PC-0PIJC0
Apexmol Building Blocks: AM100275
Ark Pharm Building Blocks: AK-39351, AK159229, AK151258, AK-53357
Aromalake BB: LS20138
Bide Pharmatech BB: BD287870...27 total

95192362
 
#74

Angene Building Blocks: AGN-PC-0PIJC0
Apexmol Building Blocks: AM100275
Ark Pharm Building Blocks: AK-39351, AK151258, AK-53357
Aromalake BB: LS20138
Boerchem Pharmatech BB: BC214780...25 total

18037976
 
#75

eMolecules: 485950
Molport: MolPort-001-783-877
Acros Organics: 34619
AK Scientific: W8968
Alfa-Aesar: L02753...39 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.44,-39.55,0,2,-1, 139.174, 0
ref: mol2, SDF, SMILES, flexibase
1.39,5,-49.19,0,2,-1, 139.174, 0
mid: mol2, SDF, SMILES, flexibase
0.81,3.41,-7.64,0,2,0, 140.182, 1
mid: mol2, SDF, SMILES, flexibase
1.39,3.34,-16.95,1,2,0, 140.182, 1

Similar to: 34597087, 15977263,
33949376
 
#76

Acorn PharmaTech: ACN-P000918
AK Scientific: Z5364, 7033AA
Angene Building Blocks: AGN-PC-0LTE21
Anward: ANW-56697
Ark Pharm Building Blocks: AK-64806...30 total

ref: mol2, SDF, SMILES, flexibase
0.81,1.62,-9.73,0,2,0, 102.524, 0
mid: mol2, SDF, SMILES, flexibase
1.12,1.35,-3.24,1,2,0, 102.524, 0
mid: mol2, SDF, SMILES, flexibase
1.12,1.38,-6.06,1,2,0, 102.524, 0
34887186
 
#77

Molport: MolPort-021-783-547
Angene Building Blocks: AGN-PC-00S14J
Anward: ANW-39143
Ark Pharm Building Blocks: AK-77567
BePharm Building Blocks: B223879...22 total

5188397
 
#78

Alfa-Aesar: A11743
Element Store BB: b2star-601-54-7
FineTech: FT-0618275
Lab Seeker Building Blocks: SC-48055
Tractus: TRA0072918...21 total

ref: mol2, SDF, SMILES, flexibase
7.43,15.16,-3.45,0,1,0, 384.648, 5

Similar to: 5842916, 6569094, 8681434, 26271014, 34545229, ... 28 in total.
19418771
 
#79

ChemMol: 96700280, 83602864
eMolecules: 533336
Molport: MolPort-001-792-867
Scientific Exchange (make on demand): Z-001786
Acros Organics: 11509...69 total

ref: mol2, SDF, SMILES, flexibase
0.42,2.88,-95.62,1,5,-2, 203.153, 1
ref: mol2, SDF, SMILES, flexibase
0.42,2.11,-45.3,2,5,-1, 204.161, 1
hi: mol2, SDF, SMILES, flexibase
1.72,0.67,-117.47,1,5,-2, 203.153, 1
hi: mol2, SDF, SMILES, flexibase
1.72,1.44,-204.77,0,5,-3, 202.145, 1

Similar to: 34027744, 4097613,
67267160
 
#80

Amidohydrolase AH-EFI: Adenosinediphosphate
Haloacid dehalogenase HAD-EFI: 12360703
Molport: MolPort-020-004-587
Acros Organics: 16467
AK Scientific: V0064...95 total

hi: mol2, SDF, SMILES, flexibase
3.79,9.28,-36.43,1,2,1, 233.379, 3
5424171
 
#81

ChemMol: 44013871, 97900117, 30108489, 44008211
Molport: MolPort-021-804-920, MolPort-023-220-098
Active BioPharma: 201
APIChem: AC-1614
BOC Sciences BB: 104054-27-5...56 total

ref: mol2, SDF, SMILES, flexibase
2.88,9.03,-36.83,2,2,1, 213.304, 2
ref: mol2, SDF, SMILES, flexibase
2.88,8.83,-34.44,2,2,1, 213.304, 2
mid: mol2, SDF, SMILES, flexibase
2.88,8.33,-7.48,1,2,0, 212.296, 2
mid: mol2, SDF, SMILES, flexibase
2.88,8.47,-7.63,1,2,0, 212.296, 2

Similar to: 34344841, 34380968, 34537217, 39386823, 39386824, ... 8 in total.
94986214
 
#82

eMolecules: 984099
Molport: MolPort-001-788-445
AK Scientific: W7407
Amadis Chemical: A849797
Angene Building Blocks: AGN-PC-00CPNG...30 total

95953053
 
#83

eMolecules: 498954
Molport: MolPort-002-546-592
AK Scientific: 2075AB
Alfa-Aesar: H25964
Ark Pharm Building Blocks: AK116289...19 total

87611297
 
#84

AK Scientific: Y5082
Alfa-Aesar: H66400
Angene Building Blocks: AGN-PC-0QWSNS
Apexmol Building Blocks: AM62695
Ark Pharm Building Blocks: AK-34063...22 total

hi: mol2, SDF, SMILES, flexibase
2.85,5.47,-11.01,2,6,0, 377.444, 7
14982964
 
#85

AK Scientific: W3318
Anward: ANW-50839
Ark Pharm Building Blocks: AK-23835
BePharm Building Blocks: B40748
BioSynth: W-201356...28 total

ref: mol2, SDF, SMILES, flexibase
0.95,2.3,-30.64,0,5,-1, 139.09, 1
mid: mol2, SDF, SMILES, flexibase
0.95,1.57,-10.71,1,5,0, 140.098, 1
lo: mol2, SDF, SMILES, flexibase
0.95,1.8,-37.83,2,5,1, 141.106, 1
lo: mol2, SDF, SMILES, flexibase
0.95,2.64,-15.64,1,5,0, 140.098, 1
2561346
 
#86

Lab Seeker Building Blocks: SC-21624
StruChem BB make-on-demand: SC-21624
Alfa Chemistry (Depleted): ACM121792583
BOC Sciences BB (Depleted): 121792-58-3
Sigma Aldrich (BB, Depleted): 36567|FLUKA...5 total

ref: mol2, SDF, SMILES, flexibase
5.74,16.19,-33.8,0,2,0, 468.383, 4
mid: mol2, SDF, SMILES, flexibase
5.74,15.53,-24.82,1,2,1, 469.391, 4
20446487
 
#87

Molport: MolPort-019-906-270
AK Scientific: 8061AB, W4156
Angene Building Blocks: AGN-PC-03SYBK
Anward: ANW-48588, ANW-54071
Apexmol Building Blocks: AM20070602...46 total

ref: mol2, SDF, SMILES, flexibase
-0.31,0.41,-108.06,0,3,-2, 114.1, 1
mid: mol2, SDF, SMILES, flexibase
-0.31,-0.17,-50.36,1,3,-1, 115.108, 1
16248586
 
#88

eMolecules: 7414971
Molport: MolPort-019-723-409, MolPort-003-906-340
Scientific Exchange (make on demand): F-183807
AK Scientific: V5460
Alinda: IBS-L0126443...70 total

ref: mol2, SDF, SMILES, flexibase
-1.16,-0.37,-27.1,5,3,1, 106.174, 2
ref: mol2, SDF, SMILES, flexibase
-0.46,-0.32,-26.72,5,3,1, 106.174, 1
ref: mol2, SDF, SMILES, flexibase
-0.46,-0.52,-26.94,5,3,1, 106.174, 1
hi: mol2, SDF, SMILES, flexibase
-1.16,-0.48,-8.86,4,3,0, 105.166, 2
35653074
 
#89

AK Scientific: Y0466
Chembo Pharma: KB-276786
Lab Seeker Building Blocks: SC-21625
StruChem BB make-on-demand: SC-21625
IUPHAR Database: 1771...5 total

ref: mol2, SDF, SMILES, flexibase
2.22,11.33,-55.69,1,4,0, 349.427, 5
mid: mol2, SDF, SMILES, flexibase
2.22,9.75,-49.58,0,4,-1, 348.419, 5
mid: mol2, SDF, SMILES, flexibase
2.22,11.86,-115.9,1,4,-1, 348.419, 5
hi: mol2, SDF, SMILES, flexibase
2.22,10.33,-142.3,0,4,-2, 347.411, 5

Similar to: 11688437,
35653072
 
#90

AK Scientific: Y0466
Chembo Pharma: KB-276786
Lab Seeker Building Blocks: SC-21625
StruChem BB make-on-demand: SC-21625
IUPHAR Database: 1771...5 total

ref: mol2, SDF, SMILES, flexibase
2.22,11.4,-58.11,1,4,0, 349.427, 5
mid: mol2, SDF, SMILES, flexibase
2.22,9.71,-52.39,0,4,-1, 348.419, 5
mid: mol2, SDF, SMILES, flexibase
2.22,11.94,-117.78,1,4,-1, 348.419, 5
hi: mol2, SDF, SMILES, flexibase
2.22,10.26,-145.04,0,4,-2, 347.411, 5

Similar to: 11688437,
730483
 
#91

AK Scientific: 0672AB
Anward: ANW-60790
Ark Pharm Building Blocks: AK-80129, AK164873
BePharm Building Blocks: B28015
Capot Chemical: 19684...15 total

95067846
 
#92

ACB Blocks: APY-0221
Alfa-Aesar: H50898
Apexmol Building Blocks: AM803349
Ark Pharm Building Blocks: AK-75797
Lab Seeker Building Blocks: SC-27935...11 total

mid: mol2, SDF, SMILES, flexibase
0.51,1.87,-5.96,3,3,0, 123.159, 1
85221151
 
#93

Molport: MolPort-019-903-906
Anward: ANW-65603
Ark Pharm Building Blocks: AK-90090
BePharm Building Blocks: B79929
Lab Seeker Building Blocks: SC-27832...8 total

ref: mol2, SDF, SMILES, flexibase
4.21,3.62,-46.65,0,3,-1, 358.687, 6
mid: mol2, SDF, SMILES, flexibase
4.21,3.08,-6.67,1,3,0, 359.695, 6
85221149
 
#94

Molport: MolPort-019-903-906
Anward: ANW-65603
Ark Pharm Building Blocks: AK-90090
BePharm Building Blocks: B79929
Lab Seeker Building Blocks: SC-27832...8 total

ref: mol2, SDF, SMILES, flexibase
4.21,4.31,-48.8,0,3,-1, 358.687, 6
mid: mol2, SDF, SMILES, flexibase
4.21,3.76,-7.3,1,3,0, 359.695, 6
4261765
 
#95

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...107 total

12402864
 
#96

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: X5319...120 total

12402865
 
#97

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...120 total

95483606
 
#98

AK Scientific: Z3956
Ark Pharm Building Blocks: AK-45852
Chembo Pharma: KB-41707
Combi-Blocks: QB-5762
Fluorochem: 209313...14 total

32105945
 
#99

eMolecules: 925141
Molport: MolPort-001-764-019
Chembo Pharma: KB-201125
FineTech: FT-0625824
Lab Seeker Building Blocks: SC-14992...14 total

ref: mol2, SDF, SMILES, flexibase
-0.22,4.76,-40.34,0,5,-1, 226.252, 3
lo: mol2, SDF, SMILES, flexibase
1.07,3.54,-11.3,1,5,0, 227.26, 4

Similar to: 39017552, 32104942,
89222987
 
#100

AK Scientific: X9363, W8454
Ark Pharm Building Blocks: AK-77809
Bide Pharmatech BB: BD222747
BioSynth: W-205040
Chembo Pharma: KB-225572...19 total

hi: mol2, SDF, SMILES, flexibase
1.63,5.4,-12.37,1,10,0, 425.482, 10

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 = 806 ) limit 0,100

Smiles were