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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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89228920
 
#1

Sphinx Make-on-demand: PYR-1-1253
SureChEMBL: SCHEMBL4045371
ref: mol2, SDF, SMILES, flexibase
2.60,6.22,-4.28,0,1,0, 214.106, 3
89228918
 
#2

Chembo Pharma: KB-271722
Sphinx Make-on-demand: PYR-1-1167
ref: mol2, SDF, SMILES, flexibase
1.76,4.74,-15.18,1,5,0, 219.244, 3
hi: mol2, SDF, SMILES, flexibase
1.38,4.92,-46.79,0,5,-1, 218.236, 3
89228917
 
#3

Chembo Pharma: KB-246204
Sphinx Make-on-demand: PYR-1-1162
Debye Scientific BB (Depleted): DB-069904
SureChEMBL: SCHEMBL8324962
ref: mol2, SDF, SMILES, flexibase
-0.06,0.64,-9.16,1,4,0, 167.164, 3
19754081
 
#4

Bosche Scientific: N17198
Chembo Pharma: KB-213991
Fluorochem: 300873
Key Organics Building Blocks: 10W-0322
KeyOrganics: 10W-0322...14 total

ref: mol2, SDF, SMILES, flexibase
-0.77,7.49,-37.43,1,7,0, 237.215, 3
mid: mol2, SDF, SMILES, flexibase
-0.77,7.59,-54.56,0,7,-1, 236.207, 3

Similar to: 36885689, 42161881, 42161883,
89228915
 
#5

Sphinx Make-on-demand: PYR-1-1045
ref: mol2, SDF, SMILES, flexibase
2.77,1.92,-6.63,2,4,0, 273.13, 3
30678616
 
#6

AK Scientific: Y8806
Anward: ANW-74787
Ark Pharm Building Blocks: AK-76348, AK-28256
BePharm Building Blocks: B208971
Chembo Pharma: KB-215900...12 total

ref: mol2, SDF, SMILES, flexibase
-0.24,2.6,-55.88,2,4,1, 178.215, 1
hi: mol2, SDF, SMILES, flexibase
-0.24,1.14,-11.59,1,4,0, 177.207, 1

Similar to: 34958641, 34958642, 34958643, 44646826, ... 4 in total.
89228913
 
#7

Chembo Pharma: KB-271849
Sphinx Make-on-demand: PYR-1-0903
PubChem: 54039100
SureChEMBL: SCHEMBL1181120, SCHEMBL7381928
ref: mol2, SDF, SMILES, flexibase
3.13,5.55,-8.62,1,4,0, 287.157, 3
52541469
 
#8

eMolecules: 478526
Molport: MolPort-006-110-167, MolPort-001-742-600
TCM Database @ Taiwan: tcm03_000591, 30532
Acros Organics: 25013
AK Scientific: L984...98 total

35653807
 
#9

Chembo Pharma: KB-270610
Sphinx Make-on-demand: PYR-1-0825
Alfa Chemistry (Depleted): ACM263894968
BOC Sciences BB (Depleted): 263894-96-8
SureChEMBL: SCHEMBL2972209...7 total

ref: mol2, SDF, SMILES, flexibase
1.81,4.23,-14,1,3,0, 229.077, 1
19168741
 
#10

Chembo Pharma: KB-88635
Enamine Building Blocks: EN300-110516
Sphinx Make-on-demand: PYR-1-0806
TimTec BB Make on Demand: SBB079170
Enamine BB Make on Demand: BBV-2083828...6 total

ref: mol2, SDF, SMILES, flexibase
-0.72,1.55,-40.15,4,3,1, 138.194, 3
mid: mol2, SDF, SMILES, flexibase
-0.72,0.8,-42.16,4,3,1, 138.194, 3
mid: mol2, SDF, SMILES, flexibase
-0.72,1,-6.81,3,3,0, 137.186, 3
lo: mol2, SDF, SMILES, flexibase
-0.72,1.16,-92.04,5,3,2, 139.202, 3
89228910
 
#11

Chembo Pharma: KB-275206
Sphinx Make-on-demand: PYR-1-0788
SureChEMBL: SCHEMBL7057444
SynQuest BB (Depleted: 106805
ref: mol2, SDF, SMILES, flexibase
3.34,6.47,-4.19,0,2,0, 219.671, 3
89228909
 
#12

Ark Pharm Building Blocks: AK129624
Chembo Pharma: KB-47750
Lab Seeker Building Blocks: SC-35049
Sphinx Make-on-demand: PYR-1-0785
StruChem BB make-on-demand: SC-35049...7 total

ref: mol2, SDF, SMILES, flexibase
2.38,9.4,-7.65,0,4,0, 273.332, 4
89228907
 
#13

Ark Pharm Building Blocks: AK129624
Chembo Pharma: KB-47750
Lab Seeker Building Blocks: SC-35049
Sphinx Make-on-demand: PYR-1-0785
StruChem BB make-on-demand: SC-35049...7 total

ref: mol2, SDF, SMILES, flexibase
2.38,9.27,-7.65,0,4,0, 273.332, 4
89228905
 
#14

Chembo Pharma: KB-268004
Sphinx Make-on-demand: PYR-1-0770
Alfa Chemistry (Depleted): ACM24059856
SureChEMBL: SCHEMBL1101140
ref: mol2, SDF, SMILES, flexibase
-0.02,0.17,-11.16,2,4,0, 152.153, 2
38219197
 
#15

AK Scientific: V4499
Angene Building Blocks: AGN-PC-00DV8D
Combi-Blocks: QY-1472
Ryan Scientific BB: 077-57208
Sphinx Make-on-demand: PYR-1-0727...6 total

ref: mol2, SDF, SMILES, flexibase
1.90,5.83,-7.88,0,5,0, 263.341, 3
mid: mol2, SDF, SMILES, flexibase
1.90,6.29,-37.09,1,5,1, 264.349, 3

Similar to: 40450051, 19733972, 19952603,
19798056
 
#16

eMolecules: 722241
Acros Organics: CC21701
AK Scientific: Y8284
Ark Pharm Building Blocks: AK117450
Asinex Building Blocks: BAS17348282...51 total

89228903
 
#17

Chembo Pharma: KB-275193
Sphinx Make-on-demand: PYR-1-0693
BOC Sciences BB (Depleted): 216961-75-0
SureChEMBL: SCHEMBL6635043
ref: mol2, SDF, SMILES, flexibase
2.34,5.44,-3.63,0,1,0, 155.628, 2
lo: mol2, SDF, SMILES, flexibase
2.34,5.79,-30.97,1,1,1, 156.636, 2
89228900
 
#18

Ark Pharm Building Blocks: AK161434
Bide Pharmatech BB: BD289962
Chembo Pharma: KB-267428
Sphinx Make-on-demand: PYR-1-0672
BOC Sciences BB (Depleted): 21071-04-5...8 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-2.52,-7.82,2,3,0, 139.154, 2
lo: mol2, SDF, SMILES, flexibase
-0.22,-2.11,-32.64,3,3,1, 140.162, 2
1596462
 
#19

eMolecules: 3725187, 17365388, 43445218
AK Scientific: W4367, X3552
AKOS: AKOS000112928
Alinda Building Blocks: ALBB-013879
Angene Building Blocks: AGN-PC-0QWMYG...62 total

mid: mol2, SDF, SMILES, flexibase
-0.11,0.39,-5.16,3,3,0, 109.132, 1
89228899
 
#20

Chembo Pharma: KB-271077
Sphinx Make-on-demand: PYR-1-0589
ref: mol2, SDF, SMILES, flexibase
3.07,8.79,-26.69,3,3,1, 305.199, 3
mid: mol2, SDF, SMILES, flexibase
2.94,7.13,-7.78,2,3,0, 304.191, 2
34632958
 
#21

Chembo Pharma: KB-268036
Sphinx Make-on-demand: PYR-1-0566
PubChem: 53401147
ref: mol2, SDF, SMILES, flexibase
2.70,4.48,-4.7,1,2,0, 219.671, 2

Similar to: 30952734, 30952732, 394076, 2044938, 239414, ... 9 in total.
89228897
 
#22

Chembo Pharma: KB-268036
Sphinx Make-on-demand: PYR-1-0566
PubChem: 53401147
ref: mol2, SDF, SMILES, flexibase
2.70,4.67,-4.76,1,2,0, 219.671, 2
31560047
 
#23

Chembo Pharma: KB-246912
Lab Seeker Building Blocks: SC-54753
Sphinx Make-on-demand: PYR-1-0563
StruChem BB make-on-demand: SC-54753
BOC Sciences BB (Depleted): 17944-62-6...8 total

ref: mol2, SDF, SMILES, flexibase
1.60,5.39,-3.98,0,1,0, 155.628, 2
lo: mol2, SDF, SMILES, flexibase
1.60,5.71,-29.07,1,1,1, 156.636, 2

Similar to: 12360602,
89228894
 
#24

Chembo Pharma: KB-271717
Sphinx Make-on-demand: PYR-1-0547
ref: mol2, SDF, SMILES, flexibase
3.54,7.51,-10.02,1,4,0, 321.174, 4
89228893
 
#25

Chembo Pharma: KB-271723
Otava (Virtual): 10004959
Sphinx Make-on-demand: PYR-1-0546
ref: mol2, SDF, SMILES, flexibase
2.39,7.01,-11.57,1,4,0, 242.278, 4
8672866
 
#26

ChemMol: 96703882
Acorn PharmaTech: ACN-S003257
AK Scientific: I204
Aldrich CPR: CDS003419|ALDRICH
Alfa-Aesar: H27549...44 total

ref: mol2, SDF, SMILES, flexibase
0.32,2.46,-9.98,0,2,0, 129.546, 0
mid: mol2, SDF, SMILES, flexibase
1.19,0.32,-5.55,1,2,0, 129.546, 0
mid: mol2, SDF, SMILES, flexibase
1.19,2.14,-32.36,0,2,-1, 128.538, 0
mid: mol2, SDF, SMILES, flexibase
0.99,2.58,-14.13,1,2,0, 129.546, 0
74078677
 
#27

Chembo Pharma: KB-275955
Sphinx Make-on-demand: TZP-7-0004
ref: mol2, SDF, SMILES, flexibase
1.21,3.68,-48.38,2,3,1, 220.321, 1
74078675
 
#28

Chembo Pharma: KB-275955
Sphinx Make-on-demand: TZP-7-0004
ref: mol2, SDF, SMILES, flexibase
1.21,3.68,-48.43,2,3,1, 220.321, 1
74078696
 
#29

Chembo Pharma: KB-275957
Sphinx Make-on-demand: TZP-7-0003
ref: mol2, SDF, SMILES, flexibase
1.21,3.72,-50.58,2,3,1, 220.321, 1
74189246
 
#30

Chembo Pharma: KB-275956
Sphinx Make-on-demand: TZP-7-0002
ref: mol2, SDF, SMILES, flexibase
1.29,2.98,-50.14,2,3,1, 206.294, 1
74189243
 
#31

Chembo Pharma: KB-275956
Sphinx Make-on-demand: TZP-7-0002
ref: mol2, SDF, SMILES, flexibase
1.29,2.99,-50.76,2,3,1, 206.294, 1
75844847
 
#32

Molport: MolPort-021-878-266
AK Scientific: 3524AA
Ark Pharm Building Blocks: AK123508
Chembo Pharma: KB-81958
Molport BB: MolPort-021-878-266...13 total

ref: mol2, SDF, SMILES, flexibase
0.39,0.31,-51.54,3,3,1, 166.229, 1
mid: mol2, SDF, SMILES, flexibase
0.39,-0.09,-9.41,2,3,0, 165.221, 1
12376505
 
#33

AKOS: AKOS003599097
Chembo Pharma: KB-275550
Mcule: MCULE-3502123862
Sphinx Make-on-demand: TPY-1-0379
ChemDB: 5269904...10 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.7,-45.79,2,5,-1, 272.309, 3
mid: mol2, SDF, SMILES, flexibase
2.23,3.64,-46.78,2,5,-1, 272.309, 3
8377627
 
#34

eMolecules: 32363234
Molport: MolPort-000-933-910
Chembo Pharma: KB-275532
ChemBridge: 9252064
Mcule: MCULE-3379186934...10 total

ref: mol2, SDF, SMILES, flexibase
1.56,0.47,-44.58,2,5,-1, 275.107, 1
mid: mol2, SDF, SMILES, flexibase
0.14,-1.53,-88.51,0,5,-2, 274.099, 1
mid: mol2, SDF, SMILES, flexibase
0.14,-1.52,-88.5,0,5,-2, 274.099, 1
hi: mol2, SDF, SMILES, flexibase
-0.59,-1.41,-90.55,0,5,-2, 274.099, 1
lo: mol2, SDF, SMILES, flexibase
0.14,-0.01,-42.22,2,5,0, 276.115, 1
lo: mol2, SDF, SMILES, flexibase
0.14,0,-42.18,2,5,0, 276.115, 1
lo: mol2, SDF, SMILES, flexibase
-0.59,-0.72,-37.92,1,5,-1, 275.107, 0
39476575
 
#35

Chembo Pharma: KB-275786
Sphinx Make-on-demand: TPY-1-0276
PubChem: 13297628
SureChEMBL: SCHEMBL3526965
ref: mol2, SDF, SMILES, flexibase
2.09,4.87,-49.09,0,5,-1, 269.327, 4
5888399
 
#36

eMolecules: 6815492
Molport: MolPort-002-733-220
AKOS: AKOS003678970, AKOS001747389
BioBlocks: A3736/0158326
Chembo Pharma: KB-275541...16 total

ref: mol2, SDF, SMILES, flexibase
3.16,4.79,-43.59,1,4,-1, 289.361, 3
lo: mol2, SDF, SMILES, flexibase
1.26,5.38,-13.68,0,4,0, 290.369, 3
62151927
 
#37

eMolecules: 36084374
Molport: MolPort-020-166-061
Chembo Pharma: KB-275807
Enamine Building Blocks: EN300-73080
Molport BB: MolPort-020-166-061...9 total

ref: mol2, SDF, SMILES, flexibase
1.02,3.5,-50.1,2,5,-1, 208.222, 1
5686975
 
#38

eMolecules: 827323
Molport: MolPort-000-933-908
AKOS: AKOS001694965
Ark Pharm Building Blocks: AK108961
BioBlocks: A3367/0142964...23 total

ref: mol2, SDF, SMILES, flexibase
0.83,-0.13,-47.25,2,5,-1, 196.211, 1
ref: mol2, SDF, SMILES, flexibase
0.83,-0.2,-48.21,2,5,-1, 196.211, 1
mid: mol2, SDF, SMILES, flexibase
-0.33,-0.66,-43.83,2,5,0, 197.219, 1
mid: mol2, SDF, SMILES, flexibase
-0.33,-0.66,-43.83,2,5,0, 197.219, 1
hi: mol2, SDF, SMILES, flexibase
-0.33,-2.18,-92.9,0,5,-2, 195.203, 1
hi: mol2, SDF, SMILES, flexibase
-0.33,-2.17,-92.91,0,5,-2, 195.203, 1
40456647
 
#39

Molport: MolPort-015-143-545
AK Scientific: Z8174
AKOS: AKOS015856758
Anward: ANW-17433
Ark Pharm Building Blocks: AK130657...13 total

ref: mol2, SDF, SMILES, flexibase
2.87,4.75,-34.88,0,2,-1, 235.235, 1
79052143
 
#40

ChemMol: 44033664
AK Scientific: 3853AC
Anward: ANW-68106
Ark Pharm Building Blocks: AK-80738
BePharm Building Blocks: B237101...11 total

ref: mol2, SDF, SMILES, flexibase
1.18,3.06,-9.92,2,6,0, 196.191, 1
34156887
 
#41

Chembo Pharma: KB-275787
Sphinx Make-on-demand: TPY-1-0206
PubChem: 13799670
ref: mol2, SDF, SMILES, flexibase
1.45,2.85,-46.63,1,5,-1, 241.273, 2
75575884
 
#42

Chembo Pharma: KB-275552
Sphinx Make-on-demand: TPY-1-0201
ref: mol2, SDF, SMILES, flexibase
0.09,1.32,-17.46,4,5,0, 182.208, 1
mid: mol2, SDF, SMILES, flexibase
0.55,-0,-47.72,3,5,-1, 181.2, 1
mid: mol2, SDF, SMILES, flexibase
0.55,-0.78,-12.8,4,5,0, 182.208, 1
4945351
 
#43

AKOS: AKOS000767397
Asinex: ASN14403407
Chembo Pharma: KB-275527
Mcule: MCULE-3335150091
Sphinx Make-on-demand: TPY-1-0167...7 total

ref: mol2, SDF, SMILES, flexibase
1.94,1.76,-43.19,1,4,-1, 227.29, 2
lo: mol2, SDF, SMILES, flexibase
0.04,2.33,-13.32,0,4,0, 228.298, 2
75585938
 
#44

Chembo Pharma: KB-275746
Sphinx Make-on-demand: TPY-1-0160
ref: mol2, SDF, SMILES, flexibase
0.90,4.73,-43.22,0,5,-1, 218.217, 1
65337177
 
#45

Molport: MolPort-015-143-548
AK Scientific: Z8645
AKOS: AKOS006332996
Anward: ANW-18023
Ark Pharm Building Blocks: AK130659...12 total

ref: mol2, SDF, SMILES, flexibase
2.30,3.85,-36.59,0,2,-1, 185.228, 0
38537856
 
#46

AK Scientific: V4080
AKOS: AKOS015834486
Angene Building Blocks: AGN-PC-07XUM3
Anward: ANW-23655
Ark Pharm Building Blocks: AK130661...15 total

ref: mol2, SDF, SMILES, flexibase
2.94,4.37,-36.56,0,2,-1, 246.134, 0
40456646
 
#47

Molport: MolPort-015-143-544
AK Scientific: V6157
AKOS: AKOS015850500
Angene Building Blocks: AGN-PC-03OKAF
Anward: ANW-30702...16 total

ref: mol2, SDF, SMILES, flexibase
2.81,4.28,-36.87,0,2,-1, 201.683, 0
79275067
 
#48

Chembo Pharma: KB-275722
Sphinx Make-on-demand: TPY-1-0145
IBM Patent Data: 135728379
SureChEMBL: SCHEMBL8781555
ref: mol2, SDF, SMILES, flexibase
1.40,1.24,-42.29,1,3,-1, 197.264, 1
5800234
 
#49

eMolecules: 6814273
Molport: MolPort-002-732-574
AKOS: AKOS005598691
BioBlocks: A3711/0157203
Chembo Pharma: KB-275537...16 total

ref: mol2, SDF, SMILES, flexibase
1.57,0.86,-43.69,1,4,-1, 213.263, 1
lo: mol2, SDF, SMILES, flexibase
-0.33,1.46,-14.18,0,4,0, 214.271, 1
65337176
 
#50

Molport: MolPort-015-143-547
AK Scientific: Z8406
Anward: ANW-17725
Ark Pharm Building Blocks: AK130658
Chembo Pharma: KB-24804...11 total

ref: mol2, SDF, SMILES, flexibase
2.39,2.27,-40.93,0,3,-1, 197.264, 1
89157640
 
#51

Ark Pharm Building Blocks: AK-67962
Chembo Pharma: KB-275745
Sphinx: TPY-1-0095-ester
Sphinx Make-on-demand: TPY-1-0095
ref: mol2, SDF, SMILES, flexibase
1.60,4.37,-44.64,0,4,-1, 213.625, 1
79052164
 
#52

ChemMol: 44033658
AK Scientific: 3350AC
Anward: ANW-68108
Ark Pharm Building Blocks: AK-80736
BePharm Building Blocks: B237099...11 total

ref: mol2, SDF, SMILES, flexibase
2.38,4.32,-7.01,0,5,0, 215.621, 1
81140999
 
#53

Chembo Pharma: KB-275724
Sphinx Make-on-demand: TPY-1-0084
IBM Patent Data: 136138440
SureChEMBL: SCHEMBL9082268
ref: mol2, SDF, SMILES, flexibase
2.04,4.41,-44.73,0,2,-1, 181.265, 0
40456648
 
#54

Molport: MolPort-015-143-546
AK Scientific: V6778
Angene Building Blocks: AGN-PC-01MMMK
Anward: ANW-33001
Ark Pharm Building Blocks: AK130664...13 total

ref: mol2, SDF, SMILES, flexibase
2.42,4.44,-43.79,0,2,-1, 181.265, 0
40456645
 
#55

ChemMol: 51503516, 96706185
Molport: MolPort-016-578-829, MolPort-015-143-543
AK Scientific: V9923
AKOS: AKOS015856629
Anward: ANW-40982...29 total

ref: mol2, SDF, SMILES, flexibase
1.99,3.78,-44.25,0,2,-1, 167.238, 0
74246885
 
#56

Chembo Pharma: KB-275736
Sphinx Make-on-demand: TPY-1-0036
ref: mol2, SDF, SMILES, flexibase
0.63,4.52,-53.53,0,4,-1, 193.207, 2
82387465
 
#57

Chembo Pharma: KB-275764
Sphinx Make-on-demand: TPY-1-0034
ref: mol2, SDF, SMILES, flexibase
0.88,4.45,-48.55,0,4,-1, 193.207, 2
74247755
 
#58

Chembo Pharma: KB-275753
Sphinx Make-on-demand: TPY-1-0032
ref: mol2, SDF, SMILES, flexibase
0.46,2.76,-52.93,3,3,1, 194.283, 3
74304844
 
#59

Chembo Pharma: KB-275752
Sphinx Make-on-demand: TPY-1-0020
ref: mol2, SDF, SMILES, flexibase
0.19,1.98,-54.21,3,3,1, 180.256, 2
hi: mol2, SDF, SMILES, flexibase
0.19,1.59,-10.72,2,3,0, 179.248, 2
35269895
 
#60

AK Scientific: 5129AC
Ark Pharm Building Blocks: AK-29584
Capot Chemical: 14884
Chembo Pharma: KB-46327
Tractus: TRA0095267...10 total

ref: mol2, SDF, SMILES, flexibase
2.62,3.38,-33.96,0,2,-1, 201.683, 0
82376107
 
#61

Chembo Pharma: KB-275921
Sphinx Make-on-demand: TPI-1-0075
ref: mol2, SDF, SMILES, flexibase
0.68,-0.72,-42.73,3,4,1, 210.282, 3
74155298
 
#62

Chembo Pharma: KB-275899
Sphinx Make-on-demand: TPI-1-0072
ref: mol2, SDF, SMILES, flexibase
0.17,-0.31,-53.52,3,4,1, 210.282, 3
hi: mol2, SDF, SMILES, flexibase
0.17,-0.7,-9.16,2,4,0, 209.274, 3
74176424
 
#63

Chembo Pharma: KB-275904
Sphinx Make-on-demand: TPI-1-0067
ref: mol2, SDF, SMILES, flexibase
0.65,4.18,-56.33,0,4,-1, 207.234, 2
79204850
 
#64

Chembo Pharma: KB-275846
Sphinx Make-on-demand: TPI-1-0063
IBM Patent Data: 135731470
PubChem: 56975825
ref: mol2, SDF, SMILES, flexibase
0.80,4.26,-43.56,2,4,1, 221.309, 1
hi: mol2, SDF, SMILES, flexibase
0.80,2.95,-7.79,1,4,0, 220.301, 1
74246903
 
#65

Chembo Pharma: KB-275903
Sphinx Make-on-demand: TPI-1-0048
ref: mol2, SDF, SMILES, flexibase
0.94,3.45,-55.47,0,4,-1, 193.207, 2
74247791
 
#66

Chembo Pharma: KB-275922
Sphinx Make-on-demand: TPI-1-0047
ref: mol2, SDF, SMILES, flexibase
0.21,1.67,-42.93,3,3,1, 194.283, 2
82387484
 
#67

Chembo Pharma: KB-275935
Sphinx Make-on-demand: TPI-1-0043
ref: mol2, SDF, SMILES, flexibase
1.02,3.52,-50.34,0,4,-1, 193.207, 1
74246884
 
#68

Chembo Pharma: KB-275884
Sphinx Make-on-demand: TPI-1-0035
PubChem: 65586205
Enamine BB Make on Demand: BBV-40159286
UORSY BB Make-on-demand: BBV-40159286...5 total

ref: mol2, SDF, SMILES, flexibase
0.43,3.6,-46.67,0,4,-1, 193.207, 2
74304888
 
#69

Chembo Pharma: KB-275920
Sphinx Make-on-demand: TPI-1-0032
ref: mol2, SDF, SMILES, flexibase
0.50,0.93,-43.11,3,3,1, 180.256, 2
74304127
 
#70

Chembo Pharma: KB-275907
Sphinx Make-on-demand: TPI-1-0030
ref: mol2, SDF, SMILES, flexibase
1.09,2.99,-60.74,0,4,-1, 179.18, 1
34498803
 
#71

Ark Pharm Building Blocks: AK-30846
Chembo Pharma: KB-275883
Synblock: AB65960
Sphinx Make-on-demand: TPI-1-0028
PubChem: 15222367...6 total

ref: mol2, SDF, SMILES, flexibase
1.79,2.88,-37.99,0,2,-1, 167.238, 0
82396747
 
#72

Chembo Pharma: KB-275925
Sphinx Make-on-demand: TPI-1-0027
PubChem: 68056931
SureChEMBL: SCHEMBL10184776
ref: mol2, SDF, SMILES, flexibase
1.30,2.79,-50.5,0,4,-1, 179.18, 1
62716671
 
#73

Molport: MolPort-019-873-682
Chembo Pharma: KB-275888
Molport BB: MolPort-019-873-682
Sphinx Make-on-demand: TPI-1-0025
IBM Patent Data: 136209723...8 total

ref: mol2, SDF, SMILES, flexibase
0.58,3,-45.29,0,4,-1, 179.18, 1
74304846
 
#74

Chembo Pharma: KB-275898
Sphinx Make-on-demand: TPI-1-0022
PubChem: 65585793
Enamine BB Make on Demand: BBV-40159336
UORSY BB Make-on-demand: BBV-40159336...5 total

ref: mol2, SDF, SMILES, flexibase
-0.01,1.06,-51.6,3,3,1, 180.256, 2
hi: mol2, SDF, SMILES, flexibase
-0.01,0.67,-6.26,2,3,0, 179.248, 2
74339170
 
#75

Chembo Pharma: KB-275923
Sphinx Make-on-demand: TPI-1-0018
Fluorochem (Depleted): 301913
PubChem: 68268845
SureChEMBL: SCHEMBL12452513...5 total

ref: mol2, SDF, SMILES, flexibase
0.70,0.17,-38.82,3,3,1, 166.229, 1
mid: mol2, SDF, SMILES, flexibase
0.70,-0.22,-7.62,2,3,0, 165.221, 1
34346458
 
#76

Molport: MolPort-022-931-581
Ark Pharm Building Blocks: AK148541
Chembo Pharma: KB-273802
Sphinx Make-on-demand: TOP-1-0124
Fluorochem (Depleted): 387929...8 total

ref: mol2, SDF, SMILES, flexibase
1.86,7.93,-58.53,0,5,-1, 238.226, 2

Similar to: 2533993, 3866586, 12404831, 12359621, 4237875, ... 7 in total.
82292745
 
#77

Chembo Pharma: KB-273786
Sphinx Make-on-demand: TOP-1-0122
ref: mol2, SDF, SMILES, flexibase
1.28,7.9,-61.82,0,5,-1, 224.627, 2
40175431
 
#78

Scientific Exchange Building Blocks: F-392529
AKOS: AKOS002683800
Chembo Pharma: KB-273720
Zylexa Pharma BB: ZP-BB-CD017352
Innovapharm BB Make on Demand: BBV-00038907...9 total

ref: mol2, SDF, SMILES, flexibase
0.42,3.76,-18.3,1,5,0, 177.163, 1
mid: mol2, SDF, SMILES, flexibase
0.42,2.63,-49.76,0,5,-1, 176.155, 1
22057697
 
#79

AK Scientific: W6651
AKOS: AKOS015856513
Anward: ANW-50990
Apexmol Building Blocks: AM803979
Ark Pharm Building Blocks: AK-23794...31 total

ref: mol2, SDF, SMILES, flexibase
-0.05,1.95,-35.97,1,5,-1, 150.117, 0
ref: mol2, SDF, SMILES, flexibase
-0.05,1.3,-57.33,1,5,-1, 150.117, 0
mid: mol2, SDF, SMILES, flexibase
0.40,-0.18,-108.83,0,5,-2, 149.109, 0
mid: mol2, SDF, SMILES, flexibase
-0.05,2.37,-32.08,2,5,0, 151.125, 0

Similar to: 16957711,
38762097
 
#80

Chembo Pharma: KB-273800
Sphinx Make-on-demand: TOP-1-0115
PubChem: 10398027
Enamine BB Make on Demand: BBV-45807775
ref: mol2, SDF, SMILES, flexibase
1.07,7.74,-55.28,0,5,-1, 204.209, 1

Similar to: 4262672, 20357947, 21986660,
15924019
 
#81

AK Scientific: 4507AF
Aldrich CPR: CDS017105|ALDRICH
Ark Pharm Building Blocks: AK123713
Chembo Pharma: KB-273735
Key Organics Building Blocks: 12R-0246...25 total

ref: mol2, SDF, SMILES, flexibase
1.94,8.81,-14.03,1,4,0, 225.251, 1
75605818
 
#82

Chembo Pharma: KB-273785
Sphinx Make-on-demand: TOP-1-0109
ref: mol2, SDF, SMILES, flexibase
0.70,8.13,-65.74,0,5,-1, 204.209, 2
lo: mol2, SDF, SMILES, flexibase
0.70,8.46,-38.65,1,5,0, 205.217, 2
39039096
 
#83

Chembo Pharma: KB-273801
Sphinx Make-on-demand: TOP-1-0102
PubChem: 10583862
ref: mol2, SDF, SMILES, flexibase
0.85,7.1,-51.33,0,5,-1, 190.182, 1

Similar to: 4262672,
20357947
 
#84

AK Scientific: 2123AA
Anward: ANW-71220
Ark Pharm Building Blocks: AK104551
BePharm Building Blocks: B238759
Chembo Pharma: KB-244314...17 total

ref: mol2, SDF, SMILES, flexibase
0.85,6.2,-66.46,0,5,-1, 190.182, 1

Similar to: 38762097,
39124544
 
#85

Chembo Pharma: KB-254312
Chemstep: 79872
Sphinx Make-on-demand: TOP-1-0089
PubChem: 12258612
ref: mol2, SDF, SMILES, flexibase
0.89,6.08,-37.87,0,3,-1, 150.186, 0
lo: mol2, SDF, SMILES, flexibase
0.17,6.45,-21.82,1,3,0, 151.194, 0
4262672
 
#86

AK Scientific: Y4649
Anward: ANW-71182
Apexmol Building Blocks: AM804531
Ark Pharm Building Blocks: AK104589
BePharm Building Blocks: B238797...19 total

ref: mol2, SDF, SMILES, flexibase
0.41,5.56,-52.71,0,5,-1, 176.155, 1
mid: mol2, SDF, SMILES, flexibase
0.41,6,-39.04,1,5,0, 177.163, 1

Similar to: 38762097, 39039096,
38529160
 
#87

ChemMol: 2101493
eMolecules: 29697425
Chembo Pharma: KB-88011
Focus Synthesis BB: FS009313
IBScreen: STOCK7S-23992...25 total

ref: mol2, SDF, SMILES, flexibase
1.14,6.71,-55.13,0,5,-1, 241.024, 1
13207377
 
#88

Chembo Pharma: KB-273787
Sphinx Make-on-demand: TOP-1-0081
ChemDB: 5225644
PubChem: 325049
ref: mol2, SDF, SMILES, flexibase
0.48,6.71,-67.26,0,5,-1, 190.182, 2
mid: mol2, SDF, SMILES, flexibase
0.48,7.17,-45.02,1,5,0, 191.19, 2
34929188
 
#89

ChemMol: 44031631
eMolecules: 25618287
Molport: MolPort-005-306-949
A&J Pharmtech: AJ-02380
AK Scientific: 6485AC...29 total

ref: mol2, SDF, SMILES, flexibase
0.31,7.67,-58.88,0,5,-1, 190.182, 3
82869348
 
#90

Chembo Pharma: KB-273791
Sphinx Make-on-demand: TOP-1-0068
PubChem: 55266932
ref: mol2, SDF, SMILES, flexibase
0.63,6.74,-63.88,0,5,-1, 176.155, 1
13282343
 
#91

ChemMol: 44031630
A&J Pharmtech: AJ-02379
AK Scientific: 1111AA
Anward: ANW-61939, ANW-72462
Ark Pharm Building Blocks: AK-41818...22 total

ref: mol2, SDF, SMILES, flexibase
0.04,6.09,-66.71,0,5,-1, 176.155, 2
mid: mol2, SDF, SMILES, flexibase
0.04,6.55,-45.99,1,5,0, 177.163, 2
12357304
 
#92

AK Scientific: 2471AC
Ark Pharm Building Blocks: AK116429
BePharm Building Blocks: B88565
Chembo Pharma: KB-183814
Mcule: MCULE-3273657354...13 total

ref: mol2, SDF, SMILES, flexibase
0.46,7.1,-12.22,0,6,0, 164.124, 1
mid: mol2, SDF, SMILES, flexibase
0.46,7.61,-36.08,1,6,1, 165.132, 1
38549150
 
#93

Chembo Pharma: KB-273792, KB-92338
Enamine Building Blocks: EN300-148712, EN300-117875
Molport BB: MolPort-006-756-428
PBMR Labs Building Blocks: RBK_062694
Ryan Scientific BB: 047-84550...10 total

ref: mol2, SDF, SMILES, flexibase
0.04,4.97,-50.79,3,4,1, 177.231, 2
20440584
 
#94

ChemMol: 83600012
AK Scientific: Y9724
Aldrich CPR: CDS012222|ALDRICH
Apexmol Building Blocks: AM20120702
Ark Pharm Building Blocks: AK128275...26 total

ref: mol2, SDF, SMILES, flexibase
0.19,5.05,-51.95,0,5,-1, 162.128, 1
5503889
 
#95

eMolecules: 781490
Molport: MolPort-003-001-792
Scientific Exchange (make on demand): F-235092
AKOS: AKOS002295297
Aldrich CPR: CDS020605|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
0.26,5.24,-13.05,1,4,0, 149.153, 0
mid: mol2, SDF, SMILES, flexibase
0.26,5.73,-39,2,4,1, 150.161, 0
mid: mol2, SDF, SMILES, flexibase
0.72,3.8,-40.49,0,4,-1, 148.145, 0
38549152
 
#96

Chembo Pharma: KB-273793, KB-99750
Enamine Building Blocks: EN300-148785, EN300-118778
Molport BB: MolPort-006-756-429
PBMR Labs Building Blocks: RBK_062693
Ryan Scientific BB: 047-84876...10 total

ref: mol2, SDF, SMILES, flexibase
0.24,4.23,-49.71,3,4,1, 163.204, 1
hi: mol2, SDF, SMILES, flexibase
0.24,3.82,-14.07,2,4,0, 162.196, 1
26042442
 
#97

Chembo Pharma: KB-254300
Chemstep: 40491
Sphinx Make-on-demand: TOP-1-0016
PubChem: 45087649
ref: mol2, SDF, SMILES, flexibase
0.28,3.05,-48.65,0,4,-1, 134.118, 0
lo: mol2, SDF, SMILES, flexibase
0.28,2.28,-17.71,1,4,0, 135.126, 0
39192780
 
#98

Molport: MolPort-020-313-592
Chembo Pharma: KB-273725
Key Organics Building Blocks: LF-0719
KeyOrganics: LF-0719
Matrix Scientific: 067185...15 total

ref: mol2, SDF, SMILES, flexibase
0.28,3.18,-38.99,0,4,-1, 134.118, 0
mid: mol2, SDF, SMILES, flexibase
-0.18,4.67,-15.12,1,4,0, 135.126, 0
3887194
 
#99

eMolecules: 2859814
Molport: MolPort-019-930-638, MolPort-002-465-767
AK Scientific: W8704
Alinda: IVK/0064852
Alinda Building Blocks: ALBB-004679...42 total

ref: mol2, SDF, SMILES, flexibase
-0.20,3.6,-49.65,3,4,1, 149.177, 1
mid: mol2, SDF, SMILES, flexibase
-0.20,4.06,-103.68,4,4,2, 150.185, 1
40448433
 
#100

AK Scientific: W3055
AKOS: AKOS015835053
Angene Building Blocks: AGN-PC-003XC1
Anward: ANW-51991
Apexmol Building Blocks: AM803197...28 total

ref: mol2, SDF, SMILES, flexibase
2.54,3.37,-37.68,0,3,-1, 285.924, 1

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 = 708 ) limit 0,100

Smiles were