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72228953
 
#1

ChemMol: 97600277
ChiralBlock BioScience BB: 528
Tetrahedron Building Blocks: TS45727
PubChem: 55250384
ref: mol2, SDF, SMILES, flexibase
-0.02,0.03,-10.66,1,5,0, 174.152, 0
72228951
 
#2

ChemMol: 97600275
Ark Pharm Building Blocks: AK-58921
ChiralBlock BioScience BB: 526
Tetrahedron Building Blocks: TS57028
Alfa-Aesar (Depleted): H35965...9 total

ref: mol2, SDF, SMILES, flexibase
0.66,0.12,-5.01,2,2,0, 238.024, 0
hi: mol2, SDF, SMILES, flexibase
0.66,0.73,-45.03,1,2,-1, 237.016, 0
33364615
 
#3

ChemMol: 97600274
Chembo Pharma: KB-00130
ChiralBlock BioScience BB: 525
Tetrahedron Building Blocks: TS14022
PubChem: 2735185...5 total

ref: mol2, SDF, SMILES, flexibase
1.54,4.54,-6.54,0,3,0, 177.203, 0
72228948
 
#4

ChemMol: 97600272
BOC Sciences BB: 148019-74-3
ChiralBlock BioScience BB: 523
Tetrahedron Building Blocks: TS30590
PubChem: 56972068...5 total

ref: mol2, SDF, SMILES, flexibase
4.20,9.48,-46.06,1,3,-1, 267.389, 13
lo: mol2, SDF, SMILES, flexibase
4.20,7.5,-7.8,2,3,0, 268.397, 13
72228946
 
#5

ChemMol: 97600214
BOC Sciences BB: 205503-96-4
ChiralBlock BioScience BB: 462
PubChem: 53427143, 2724721, 7157062
ref: mol2, SDF, SMILES, flexibase
-0.15,2.04,-135.06,1,4,-2, 280.017, 1
hi: mol2, SDF, SMILES, flexibase
-0.15,2.06,-113,1,4,-2, 280.017, 1
39349332
 
#6

ChemMol: 97600208
ChiralBlock BioScience BB: 456
Leadscope via PubChem: LS-58366
PubChem: 12960845, 12960846
SureChEMBL: SCHEMBL10754820...7 total

ref: mol2, SDF, SMILES, flexibase
1.36,1.84,-10.52,2,3,0, 212.289, 7

Similar to: 43101002, 1607735, 5758997, 5758998, 1607736, ... 9 in total.
34534095
 
#7

ChemMol: 97600129
American Custom Chemicals Corp.: CCH0007472
ChiralBlock BioScience BB: 375
PubChem: 10855979, 12898038
ref: mol2, SDF, SMILES, flexibase
0.10,0.41,-10.27,1,4,0, 174.196, 6

Similar to: 8602743, 16889902, 16892012, 16892014, 16892016, ... 5 in total.
72228942
 
#8

ChemMol: 97600100
ChiralBlock BioScience BB: 331
PubChem: 12164199
ref: mol2, SDF, SMILES, flexibase
3.54,6.73,-10.58,1,5,0, 353.418, 4
72228940
 
#9

ChemMol: 97600099
ChiralBlock BioScience BB: 330
PubChem: 12164202
ref: mol2, SDF, SMILES, flexibase
3.57,10.12,-55.47,1,7,-1, 398.435, 10
34332601
 
#10

ChemMol: 97600096
ChiralBlock BioScience BB: 323
PubChem: 14633851, 10967416
SureChEMBL: SCHEMBL8749775, SCHEMBL2156734
ref: mol2, SDF, SMILES, flexibase
1.78,2.8,-7.77,1,5,0, 265.309, 4

Similar to: 35838827, 35838829,
72228937
 
#11

ChemMol: 97600095
Molport: MolPort-022-470-224
Apexmol Building Blocks: AM806528
Ark Pharm Building Blocks: AK130490, AK144743, AK134860, AK126122
Chembo Pharma: KB-254225...31 total

ref: mol2, SDF, SMILES, flexibase
0.55,0.76,-40.59,2,2,1, 114.168, 0
72228936
 
#12

ChemMol: 97600093
Capot Chemical: 11504
ChiralBlock BioScience BB: 309
FineTech: FT-0603904
AKOS BB (make-on-demand): AKOS015909176...7 total

ref: mol2, SDF, SMILES, flexibase
0.24,3.92,-38.54,3,2,1, 187.332, 3
hi: mol2, SDF, SMILES, flexibase
0.24,3.6,-7.61,2,2,0, 186.324, 3
72228934
 
#13

ChemMol: 97600092
Capot Chemical: 11503
ChiralBlock BioScience BB: 308
FineTech: FT-0603903
AKOS BB (make-on-demand): AKOS015909141...7 total

ref: mol2, SDF, SMILES, flexibase
0.92,6.33,-38.93,3,2,1, 235.376, 4
mid: mol2, SDF, SMILES, flexibase
0.92,6.03,-8.25,2,2,0, 234.368, 4
72228932
 
#14

ChemMol: 97600090
Capot Chemical: 11500
ChiralBlock BioScience BB: 306
FineTech: FT-0603900
AKOS BB (make-on-demand): AKOS015909178...7 total

ref: mol2, SDF, SMILES, flexibase
0.21,3.52,-41.39,3,2,1, 205.372, 3
mid: mol2, SDF, SMILES, flexibase
0.21,3.27,-4.82,2,2,0, 204.364, 3
72228930
 
#15

ChemMol: 97600088
Capot Chemical: 11518
ChiralBlock BioScience BB: 304
FineTech: FT-0603914
Fluorochem: 387387...10 total

ref: mol2, SDF, SMILES, flexibase
4.06,4.65,-4.7,1,5,0, 343.161, 7
39177615
 
#16

ChemMol: 97600087
Ark Pharm Building Blocks: AK117663
ChiralBlock BioScience BB: 303
FineTech: FT-0603913
Fluorochem: 390291...10 total

ref: mol2, SDF, SMILES, flexibase
4.06,4.65,-4.71,1,5,0, 343.161, 7
38869858
 
#17

ChemMol: 97600086
Capot Chemical: 11499
ChiralBlock BioScience BB: 300
FineTech: FT-0603899
AKOS BB (make-on-demand): AKOS015909177...9 total

ref: mol2, SDF, SMILES, flexibase
0.89,5.63,-6.56,2,2,0, 252.408, 4
mid: mol2, SDF, SMILES, flexibase
0.89,5.92,-42.03,3,2,1, 253.416, 4
72228925
 
#18

ChemMol: 97600075
Capot Chemical: 10339
ChiralBlock BioScience BB: 289
PubChem: 56972103
SureChEMBL: SCHEMBL15195793...5 total

ref: mol2, SDF, SMILES, flexibase
5.60,9.25,-15.04,1,11,0, 465.532, 11
72228923
 
#19

ChemMol: 97600072
BOC Sciences BB: 260782-41-0
Capot Chemical: 10342
ChiralBlock BioScience BB: 283
PubChem: 56972104...5 total

ref: mol2, SDF, SMILES, flexibase
3.16,8.61,-12.46,0,9,0, 377.426, 5
34301329
 
#20

ChemMol: 97600069
American Custom Chemicals Corp.: CCH0002468
ChiralBlock BioScience BB: 276
EDASA Scientific: BB0263376
Innovapharm Building Blocks: BBS-00024568...11 total

ref: mol2, SDF, SMILES, flexibase
-0.84,-4.14,-11.07,2,4,0, 117.104, 1
33992078
 
#21

ChemMol: 97600068
American Custom Chemicals Corp.: CCH0002187
ChiralBlock BioScience BB: 275
EDASA Scientific: BB0263376
Innovapharm Building Blocks: BBS-00024568...11 total

ref: mol2, SDF, SMILES, flexibase
-0.84,-4.13,-11.03,2,4,0, 117.104, 1
38276489
 
#22

ChemMol: 97600059
AK Scientific: 5237AA
American Custom Chemicals Corp.: CCH0001744
Anward: ANW-66251
Ark Pharm Building Blocks: AK130829...24 total

ref: mol2, SDF, SMILES, flexibase
1.09,2.85,-15.33,0,5,0, 201.222, 4

Similar to: 16698234,
38339070
 
#23

AK Scientific: Z4175
American Custom Chemicals Corp.: CCH0001241
Anward: ANW-73829
Ark Pharm Building Blocks: AK-27824, AK-78815, AK-25446
BePharm Building Blocks: B10092...30 total

ref: mol2, SDF, SMILES, flexibase
0.50,-1.06,-31.31,2,2,0, 126.203, 0
mid: mol2, SDF, SMILES, flexibase
0.50,0.59,-37.01,3,2,1, 127.211, 0
lo: mol2, SDF, SMILES, flexibase
0.50,1.86,-107.71,4,2,2, 128.219, 0

Similar to: 39343584, 39343585,
38338210
 
#24

ACT Chemical BB: ACT04867
AK Scientific: I079
American Custom Chemicals Corp.: CCH0001241
Anward: ANW-57732
APIChem: AC-313...27 total

ref: mol2, SDF, SMILES, flexibase
0.50,-1.15,-38.42,2,2,0, 126.203, 0
mid: mol2, SDF, SMILES, flexibase
0.50,0.67,-34.07,3,2,1, 127.211, 0
lo: mol2, SDF, SMILES, flexibase
0.50,2,-108.74,4,2,2, 128.219, 0

Similar to: 39343584, 39343585,
2383876
 
#25

ChemMol: 97600021
Ark Pharm Building Blocks: AK-59978
BOC Sciences BB: 171860-41-6
ChiralBlock BioScience BB: 79
Tetrahedron Building Blocks: TS76469...9 total

ref: mol2, SDF, SMILES, flexibase
3.41,9.96,-7.89,0,5,0, 311.337, 4

Similar to: 22049869, 22049872,
2383878
 
#26

ChemMol: 97600020
BOC Sciences BB: 143564-89-0
ChiralBlock BioScience BB: 78
Tetrahedron Building Blocks: TS60933
PubChem: 53400837...8 total

ref: mol2, SDF, SMILES, flexibase
3.41,9.97,-7.89,0,5,0, 311.337, 4

Similar to: 22049869, 22049872,
4208806
 
#27

ChemMol: 97600305, 30105691
AK Scientific: M479
Alfa-Aesar: H52073
Angene Building Blocks: AGN-PC-0O6VTF
Anward: ANW-74130...40 total

ref: mol2, SDF, SMILES, flexibase
5.13,0.59,-55.41,1,5,-1, 400.454, 7

Similar to: 4208807, 4262145, 4389106, 12958628, 34363854, ... 16 in total.
4208807
 
#28

ChemMol: 30105676, 97600304
Angene Building Blocks: AGN-PC-0O7DJA
Anward: ANW-74137
Apexmol Building Blocks: AM83433
APIChem: AC-9930...35 total

ref: mol2, SDF, SMILES, flexibase
5.13,0.58,-55.4,1,5,-1, 400.454, 7

Similar to: 4262145, 4389106, 12958628, 38250506, 38250507, ... 14 in total.
25782630
 
#29

ChemMol: 97600303
AK Scientific: 7810AD
ChiralBlock BioScience BB: 556
Combi-Blocks: QB-8403
Element Store BB: b2star-229180-64-7...20 total

ref: mol2, SDF, SMILES, flexibase
3.39,9.89,-108.31,2,8,-2, 479.425, 9

Similar to: 38202331, 2576801,
621945
 
#30

ChemMol: 30105681, 97600302
AK Scientific: M478, 8754AD
Aldrich CPR: CDS020075|ALDRICH
Alfa-Aesar: H66924
Angene Building Blocks: AGN-PC-0O51DL...51 total

ref: mol2, SDF, SMILES, flexibase
4.84,1,-52.81,1,5,-1, 404.417, 7

Similar to: 621942,
628941
 
#31

ChemMol: 1030378, 44004048, 30104503, 44016036, 96707990, 97600301
eMolecules: 529467
Molport: MolPort-002-500-233
ACT Chemical BB: ACT07179
AK Scientific: R598...64 total

ref: mol2, SDF, SMILES, flexibase
2.23,0.53,-65.95,0,5,-1, 350.394, 4

Similar to: 4899628, 4899629, 4899630, 4899631, 34445769, ... 9 in total.
628939
 
#32

ChemMol: 44016036, 1030459, 97600300, 30116896, 96707990, 44004048
ACT Chemical BB: ACT02077
AK Scientific: W8843
AKOS: AKOS009157371, AKOS013761036
Alfa-Aesar: H57178...66 total

ref: mol2, SDF, SMILES, flexibase
2.23,0.53,-65.82,0,5,-1, 350.394, 4

Similar to: 628941, 4899628, 4899629, 4899630, 4899631, ... 9 in total.
2560015
 
#33

ChemMol: 97600299, 44014509
AK Scientific: X9516
Alfa-Aesar: H51964
Amadis Chemical: A847260
Ark Pharm Building Blocks: AK-44503...32 total

ref: mol2, SDF, SMILES, flexibase
3.69,-1.93,-52.93,2,8,-1, 425.461, 9
hi: mol2, SDF, SMILES, flexibase
3.11,7.14,-29.76,1,1,1, 168.304, 2

Similar to: 2583168,
1798
 
#34

ChemMol: 30102594, 97600298
TCM Database @ Taiwan: tcm03_006269
AK Scientific: Y0130
AKOS: AKOS005720800
Alfa-Aesar: A12398...298 total

ref: mol2, SDF, SMILES, flexibase
1.09,5.79,-34.08,1,2,1, 163.244, 1

Similar to: 391812, 1646316, 1646318, 4365454, 5422400, ... 7 in total.
2561082
 
#35

ChemMol: 97600297
AK Scientific: O027
Alfa-Aesar: H52083
American Custom Chemicals Corp.: AAA0004834
Ark Pharm Building Blocks: AK117086...44 total

ref: mol2, SDF, SMILES, flexibase
0.23,-1.23,-42.81,3,4,0, 269.3, 5

Similar to: 35822949,
2560974
 
#36

ChemMol: 30112505, 44033972, 30107011, 97600296
AK Scientific: 6856AC
Aldrich CPR: CDS020095|ALDRICH
Alfa-Aesar: H63770
American Custom Chemicals Corp.: AAA0002859...80 total

ref: mol2, SDF, SMILES, flexibase
-2.40,-2.84,-39.3,3,4,0, 166.18, 3

Similar to: 6256300, 6256302, 6256780, 6256782, 6270106, ... 16 in total.
2560906
 
#37

ChemMol: 97600295
Alfa-Aesar: H66030
Ark Pharm Building Blocks: AK114765
Bachem: B-2340
BePharm Building Blocks: B131058...27 total

ref: mol2, SDF, SMILES, flexibase
6.13,0.87,-58.51,1,6,-1, 490.535, 9

Similar to: 44225084, 44225089, 44225094, 44225099, ... 4 in total.
15721803
 
#38

ChemMol: 97600294
Molport: MolPort-020-004-241
AK Scientific: V3640
Anward: ANW-41112
Bachem: B-2360...14 total

ref: mol2, SDF, SMILES, flexibase
5.73,10.66,-51.42,1,8,-1, 427.44, 8

Similar to: 79036476,
2560865
 
#39

ChemMol: 97600293
Anward: ANW-74585
Ark Pharm Building Blocks: AK-43456
Bachem: A-3560
BePharm Building Blocks: B117950...27 total

ref: mol2, SDF, SMILES, flexibase
3.97,0.95,-55.42,1,6,-1, 368.409, 8

Similar to: 38295262,
2560864
 
#40

ChemMol: 44007945, 30115133, 42302556, 97600292
AK Scientific: M103
AKOS: AKOS015836541
Alfa-Aesar: H61364, H51969
American Custom Chemicals Corp.: AAA0002055...52 total

ref: mol2, SDF, SMILES, flexibase
3.32,-0.41,-49.75,1,5,-1, 343.197, 6
2560851
 
#41

ChemMol: 97600291, 30115129
AK Scientific: 4852AD
Apexmol Building Blocks: AM83626
APIChem: AC-9640
Ark Pharm Building Blocks: AK163613...37 total

ref: mol2, SDF, SMILES, flexibase
3.41,-0.53,-54.28,1,5,-1, 320.39, 6

Similar to: 38290164,
1607276
 
#42

ChemMol: 97600290
eMolecules: 36725885
Molport: MolPort-020-093-162
Ark Pharm Building Blocks: AK162650
Bachem: F-3120...23 total

ref: mol2, SDF, SMILES, flexibase
-2.02,-5.26,-39.16,5,5,0, 132.119, 3

Similar to: 4096026,
2555638
 
#43

ChemMol: 30103276, 44007385, 30114363, 44020773, 97600289, 44011421
Acorn PharmaTech: ACN-S002175
AK Scientific: Q728, 7185AA
American Custom Chemicals Corp.: CCH0001342
Anward: ANW-66662...73 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.8,-36.52,2,3,0, 169.224, 1

Similar to: 4207265, 4207267, 4207269, 4899686, 4899687, ... 20 in total.
4899688
 
#44

ChemMol: 97600289, 30103276, 44020773
American Custom Chemicals Corp.: CCH0001342
APIChem: AC-6235
Ark Pharm Building Blocks: AK110486
Bachem: F-3105...34 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.84,-33.98,2,3,0, 169.224, 1

Similar to: 34534889, 34544227, 34584037, 34584038, 34584039, ... 28 in total.
4899687
 
#45

ChemMol: 30103276, 44020773, 97600289
Molport: MolPort-023-220-306
Acorn PharmaTech: ACN-S002299
AK Scientific: X4036, I062
AKOS: AKOS001215436...93 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.97,-38.77,2,3,0, 169.224, 1
hi: mol2, SDF, SMILES, flexibase
1.55,3.31,-6.81,1,2,0, 261.062, 0

Similar to: 4899688, 34534889, 34544227, 34584037, 34584038, ... 21 in total.
4899686
 
#46

ChemMol: 97600289, 44020773, 30103276
AK Scientific: X4036
American Custom Chemicals Corp.: CCH0001342
APIChem: AC-6235
Ark Pharm Building Blocks: AK110486...35 total

ref: mol2, SDF, SMILES, flexibase
0.68,3.78,-35.92,2,3,0, 169.224, 1
hi: mol2, SDF, SMILES, flexibase
0.02,7.58,-27.81,1,2,1, 329.186, 1

Similar to: 4899687, 4899688, 34534889, 34544227, 34584037, ... 28 in total.
1584097
 
#47

ChemMol: 30113685, 97600288
Molport: MolPort-016-580-577
Acros Organics: 43732
AK Scientific: 1531AB, V7075, M368
Aldrich CPR: CDS005053|ALDRICH...61 total

ref: mol2, SDF, SMILES, flexibase
-2.60,-1,-38.25,3,3,0, 113.116, 2

Similar to: 32223434, 32223436, 32223438, 32223440, ... 4 in total.
2560808
 
#48

ChemMol: 97600287
Enolase via KEGG (EFI): C16673_1
Molport: MolPort-020-004-199
AK Scientific: Y1588
Anward: ANW-44551...42 total

ref: mol2, SDF, SMILES, flexibase
-1.74,-5.17,-63.27,5,5,0, 146.146, 4
2560804
 
#49

ChemMol: 97600286, 44025687
AK Scientific: 0327AB
Aldrich CPR: CDS004499|ALDRICH
Alfa-Aesar: H63073
Anward: ANW-74558...31 total

ref: mol2, SDF, SMILES, flexibase
4.73,0.28,-55.83,1,6,-1, 416.453, 8

Similar to: 2583005, 2583009, 2583011, 2583013, 2583017, ... 15 in total.
57569
 
#50

ChemMol: 97801805, 30200659, 30109380, 2000094, 44008609, 96707885, 97300739, 97600285, 30201452, 30104287
eMolecules: 516385, 475781
Acros Organics: 39925, 39783, 38476
ACT Chemical BB: ACT02136
AK Scientific: N839...132 total

ref: mol2, SDF, SMILES, flexibase
0.06,5.49,-61.85,0,5,-1, 228.268, 3

Similar to: 2383865, 34219618, 35898581, 36467354, 39941174, ... 18 in total.
2560770
 
#51

ChemMol: 30112504, 97600284
AK Scientific: 6856AC
Aldrich CPR: CDS020095|ALDRICH
Alfa-Aesar: H63291
American Custom Chemicals Corp.: AAA0000328...68 total

ref: mol2, SDF, SMILES, flexibase
-2.40,-2.09,-34,3,4,0, 166.18, 3

Similar to: 6256300, 6256302, 6256780, 6256782, 6270106, ... 16 in total.
2560681
 
#52

ChemMol: 97600283
AK Scientific: 2788AA
Alfa-Aesar: H51989
Ark Pharm Building Blocks: AK-49288
Bachem: A-3520...30 total

ref: mol2, SDF, SMILES, flexibase
3.96,-1.92,-54.79,2,8,-1, 439.488, 10

Similar to: 39927910,
2560672
 
#53

ChemMol: 30114180, 97600282, 30202536, 42302647
ACT Chemical BB: ACT09841
AK Scientific: 8346AA
AKOS: AKOS015841348, AKOS015890227
Aldrich CPR: CDS003575|ALDRICH...50 total

ref: mol2, SDF, SMILES, flexibase
1.59,-1.71,-53.68,3,6,-1, 279.316, 6

Similar to: 34467157, 2383916,
2560014
 
#54

ChemMol: 30113749, 97600281
ACT Chemical BB: ACT06573
AK Scientific: V1129
Alfa-Aesar: H51987, H62381
Apexmol Building Blocks: AM20030098...36 total

ref: mol2, SDF, SMILES, flexibase
3.69,-1.93,-52.66,2,8,-1, 425.461, 9

Similar to: 2583168,
2560728
 
#55

ChemMol: 97600280, 44025689
ACT Chemical BB: ACT09877
AK Scientific: P980
Alfa-Aesar: H63646
Amadis Chemical: A845456...49 total

ref: mol2, SDF, SMILES, flexibase
4.64,0.78,-52.52,1,8,-1, 431.424, 8
2560714
 
#56

ChemMol: 44025690, 30115140, 97600279
AK Scientific: Y6715
Alfa-Aesar: H52031
APIChem: AC-9630
Ark Pharm Building Blocks: AK-63465...27 total

ref: mol2, SDF, SMILES, flexibase
5.57,-0.53,-56.55,2,8,-1, 501.559, 10

Similar to: 12958249, 2382659, 2385544,
2558707
 
#57

ChemMol: 97600271
AK Scientific: 2048AC
Alfa-Aesar: H52581
American Custom Chemicals Corp.: CCH0007050
Ark Pharm Building Blocks: AK-56863...33 total

ref: mol2, SDF, SMILES, flexibase
3.32,-1.89,-52.51,2,6,-1, 294.327, 7

Similar to: 4534206, 6615307, 34319274, 34319275, 34319276, ... 19 in total.
4202467
 
#58

ChemMol: 30113674, 97600270, 44025174, 97801666
Enolase via KEGG (EFI): C13696_2
Molport: MolPort-020-168-540
Acros Organics: 36228
AK Scientific: Z7280...85 total

ref: mol2, SDF, SMILES, flexibase
-0.53,1.12,-65.82,3,3,0, 129.159, 1

Similar to: 34380956, 34380957, 34380958, 34380959, ... 7 in total.
4202464
 
#59

ChemMol: 30113673, 97600269, 44025174, 97801666
Enolase via KEGG (EFI): C13696_3
Molport: MolPort-020-168-540
Acros Organics: 36227
AK Scientific: Y6731...85 total

ref: mol2, SDF, SMILES, flexibase
-0.53,1.09,-69.15,3,3,0, 129.159, 1

Similar to: 4202465, 4202466, 4202467, 34380956, 34380957, ... 7 in total.
2558243
 
#60

ChemMol: 30203721, 97600268
Acros Organics: 36182
AK Scientific: W3316
American Custom Chemicals Corp.: CHM0004458
Anward: ANW-63914...45 total

ref: mol2, SDF, SMILES, flexibase
3.19,-0.53,-44.32,1,5,-1, 226.252, 4

Similar to: 4284299, 4284300, 34619824,
2558244
 
#61

ChemMol: 30113675, 30203720, 44000347, 97600267
Acros Organics: 36182
AK Scientific: Y6710
Apexmol Building Blocks: AM84477
APIChem: AC-7958...38 total

ref: mol2, SDF, SMILES, flexibase
3.19,-0.53,-44.34,1,5,-1, 226.252, 4

Similar to: 4284299, 4284300, 34619824,
2558241
 
#62

ChemMol: 97600266, 30113677, 30203718, 44001008
eMolecules: 42889972
Molport: MolPort-021-784-586, MolPort-019-991-330
AK Scientific: Y6712, Z2011, X5640
AKOS: AKOS015995250...67 total

ref: mol2, SDF, SMILES, flexibase
-0.56,1.1,-46.53,3,3,0, 127.143, 1

Similar to: 39334145, 2389433,
2558242
 
#63

ChemMol: 30113678, 44011033, 97600265, 30203719, 44028680
eMolecules: 42889972
Molport: MolPort-021-784-587, MolPort-019-991-330
Acros Organics: 36226
AK Scientific: Y6706...68 total

ref: mol2, SDF, SMILES, flexibase
-0.56,0.99,-69.03,3,3,0, 127.143, 1

Similar to: 39334145, 2389433,
2579180
 
#64

ChemMol: 97600264
AK Scientific: X2075
Angene Building Blocks: AGN-PC-0JMSSA
Anward: ANW-48841
Ark Pharm Building Blocks: AK-42547...31 total

ref: mol2, SDF, SMILES, flexibase
1.94,0.59,-41.68,0,2,-1, 194.048, 3

Similar to: 5759944, 34619700,
39937218
 
#65

ChemMol: 97600263
BOC Sciences BB: 13552-61-9
ChiralBlock BioScience BB: 514
PubChem: 18740519, 22723889
SureChEMBL: SCHEMBL1666794...8 total

ref: mol2, SDF, SMILES, flexibase
-3.04,1.41,-40.18,3,5,0, 185.208, 3
hi: mol2, SDF, SMILES, flexibase
-3.04,1.09,-47.88,2,5,-1, 184.2, 3
2567711
 
#66

ChemMol: 97600262
ChiralBlock BioScience BB: 513
Sigma Aldrich (Building Blocks): C195|ALDRICH
Tractus: TRA0012527
Alfa Chemistry (Depleted): ACM117857951...26 total

ref: mol2, SDF, SMILES, flexibase
-2.69,2.3,-80.67,3,5,-1, 158.133, 3

Similar to: 3994771, 4394175, 7996857, 14418037, 34547779, ... 5 in total.
2034653
 
#67

ChemMol: 97600261
Acros Organics: 30523
AKOS: AKOS002664706
Alfa-Aesar: L07047
Angene Building Blocks: AGN-PC-0JKA1C...37 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.09,-41.33,0,2,-1, 180.021, 3

Similar to: 2578902, 1555338,
1652104
 
#68

ChemMol: 42302392, 97600256, 30112528
AK Scientific: 7949AB
AKOS: AKOS012010566
Alfa-Aesar: H63836
American Custom Chemicals Corp.: AAA0000279...64 total

ref: mol2, SDF, SMILES, flexibase
0.05,4.08,-42.74,3,3,0, 234.082, 3

Similar to: 6091327, 32223593, 33924620, 36461964, ... 4 in total.
4899630
 
#69

ChemMol: 97600255
Bachem: B-2425
BOC Sciences BB: 130309-37-4
ChiralBlock BioScience BB: 505
Combi-Blocks: SS-0844...17 total

ref: mol2, SDF, SMILES, flexibase
4.12,0.64,-58.9,0,5,-1, 390.459, 4

Similar to: 628939, 628941,
4899628
 
#70

ChemMol: 97600255
Bachem: B-2425
BOC Sciences BB: 130309-37-4
ChiralBlock BioScience BB: 505
Combi-Blocks: SS-0844...17 total

ref: mol2, SDF, SMILES, flexibase
4.12,0.65,-59.93,0,5,-1, 390.459, 4

Similar to: 628939, 628941,
4899631
 
#71

ChemMol: 97600255
Alfa-Aesar: H63491
Anward: ANW-58916
Ark Pharm Building Blocks: AK-57356
Bachem: B-2425...29 total

ref: mol2, SDF, SMILES, flexibase
4.12,0.19,-60.09,0,5,-1, 390.459, 4

Similar to: 628939, 628941,
4899629
 
#72

ChemMol: 97600255
Bachem: B-2425
BOC Sciences BB: 130309-37-4
ChiralBlock BioScience BB: 505
Combi-Blocks: SS-0844...17 total

ref: mol2, SDF, SMILES, flexibase
4.12,0.51,-60.18,0,5,-1, 390.459, 4

Similar to: 628939, 628941,
4208817
 
#73

ChemMol: 30114923, 44025692, 97600254
Alfa-Aesar: H63688
Anward: ANW-44274
Apexmol Building Blocks: AM83699
APIChem: AC-9934...42 total

ref: mol2, SDF, SMILES, flexibase
5.84,0.26,-58.99,1,5,-1, 436.487, 7

Similar to: 2389748, 4208816,
2556733
 
#74

ChemMol: 44027364, 97600253, 30114959
AK Scientific: Q862
Alfa-Aesar: H52108, H52002
APIChem: AC-9872
Ark Pharm Building Blocks: AK114783...27 total

ref: mol2, SDF, SMILES, flexibase
6.47,0.8,-56.42,1,5,-1, 462.525, 8

Similar to: 2583330, 4208806, 4208807, 4262145, 4389106, ... 11 in total.
2556732
 
#75

ChemMol: 97600252, 30114960
AK Scientific: Q867
Alfa-Aesar: H52002, H52108
APIChem: AC-9871
Ark Pharm Building Blocks: AK114780...32 total

ref: mol2, SDF, SMILES, flexibase
6.47,0.81,-56.37,1,5,-1, 462.525, 8

Similar to: 2583330, 4208806, 4208807, 4262145, 4389106, ... 10 in total.
2556730
 
#76

ChemMol: 97600251, 30114914
Molport: MolPort-000-006-441
AK Scientific: 0726AD
AKOS: AKOS015920641
Aldrich CPR: CDS003843|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
1.34,0.04,-54.24,1,6,-1, 265.289, 6

Similar to: 6692960, 6692971, 34462065,
2556729
 
#77

ChemMol: 30114913, 97600250
Molport: MolPort-000-006-441
AK Scientific: M095, 0726AD
AKOS: AKOS015891615
Alfa-Aesar: H63037...60 total

ref: mol2, SDF, SMILES, flexibase
1.34,-0.77,-57.14,1,6,-1, 265.289, 6

Similar to: 6692960, 6692971, 34462065,
4899626
 
#78

ChemMol: 97600249
Aldrich CPR: CDS005040|ALDRICH
Bachem: A-3645
ChiralBlock BioScience BB: 498
Combi-Blocks: SS-0830...18 total

ref: mol2, SDF, SMILES, flexibase
1.96,0.72,-53.22,0,5,-1, 268.333, 3

Similar to: 4899627, 6882699, 6882700, 6882703, 34562586, ... 17 in total.
4899624
 
#79

ChemMol: 97600249
Aldrich CPR: CDS005040|ALDRICH
Bachem: A-3645
ChiralBlock BioScience BB: 498
Combi-Blocks: SS-0830...18 total

ref: mol2, SDF, SMILES, flexibase
1.96,0.76,-53.57,0,5,-1, 268.333, 3

Similar to: 4899627, 6882699, 6882700, 6882703, 34562586, ... 15 in total.
4899627
 
#80

ChemMol: 97600249
Aldrich CPR: CDS005040|ALDRICH
Anward: ANW-54903
Ark Pharm Building Blocks: AK-90260
Bachem: A-3645...32 total

ref: mol2, SDF, SMILES, flexibase
1.96,0.63,-52.87,0,5,-1, 268.333, 3

Similar to: 6882699, 6882700, 6882703, 34562586, 34562588, ... 23 in total.
4899625
 
#81

ChemMol: 97600249
Aldrich CPR: CDS005040|ALDRICH
Bachem: A-3645
ChiralBlock BioScience BB: 498
Combi-Blocks: SS-0830...18 total

ref: mol2, SDF, SMILES, flexibase
1.96,0.64,-53.8,0,5,-1, 268.333, 3

Similar to: 4899627, 6882699, 6882700, 6882703, 34562586, ... 15 in total.
2556727
 
#82

ChemMol: 44018529, 97600248, 30111644
Molport: MolPort-002-500-228
AK Scientific: 0720AD, H425
Alfa-Aesar: H56885
Anward: ANW-46678...48 total

ref: mol2, SDF, SMILES, flexibase
3.90,1.02,-53.24,1,5,-1, 340.399, 7

Similar to: 34842213, 38602704,
2556726
 
#83

ChemMol: 97600247, 44018529
Molport: MolPort-002-500-228
AK Scientific: H427, 0720AD
Alfa-Aesar: H52063
Anward: ANW-61859...48 total

ref: mol2, SDF, SMILES, flexibase
3.90,0.55,-55.61,1,5,-1, 340.399, 7

Similar to: 34842213, 38602704,
2556725
 
#84

ChemMol: 30114961, 1034738, 97600246, 44027280
Alfa-Aesar: H63494
Apexmol Building Blocks: AM85544
APIChem: AC-9870
Ark Pharm Building Blocks: AK-41318...40 total

ref: mol2, SDF, SMILES, flexibase
4.31,0.88,-53.32,1,5,-1, 340.399, 7

Similar to: 12959093, 34319439, 34319440, 34319446, 34319447, ... 9 in total.
8076113
 
#85

ChemMol: 42302419, 97600245, 44020684
Molport: MolPort-020-004-469
AK Scientific: Y8999, 1886AC
Alfa-Aesar: H65872
American Custom Chemicals Corp.: CHM0015789...83 total

ref: mol2, SDF, SMILES, flexibase
-1.17,-1.82,-41,3,4,0, 195.218, 4

Similar to: 25494311, 25494315, 25494319, 25494323, 34027765, ... 13 in total.
4342809
 
#86

ChemMol: 97600243
eMolecules: 5810297
Molport: MolPort-002-903-795
American Custom Chemicals Corp.: CCH0007479
ChiralBlock BioScience BB: 491...13 total

ref: mol2, SDF, SMILES, flexibase
-1.82,-10.5,-39.69,6,7,0, 253.276, 5

Similar to: 4530261, 4530262, 4530263, 4530264, 5600699, ... 16 in total.
43710732
 
#87

ChemMol: 97600243
eMolecules: 5810297
ChiralBlock BioScience BB: 491
Tetrahedron Building Blocks: TS63254
BOC Sciences BB (Depleted): 110270-19-4...6 total

ref: mol2, SDF, SMILES, flexibase
-4.11,-4.46,-35,6,7,0, 253.276, 5
hi: mol2, SDF, SMILES, flexibase
-4.11,-5.55,-48.3,5,7,-1, 252.268, 5

Similar to: 4342809, 4530261, 4530262, 4530263, 4530264, ... 9 in total.
2516910
 
#88

ChemMol: 97300184, 44024333, 30116806, 97600242, 44001649
AK Scientific: Z5663
AKOS: AKOS003621024
Aldrich CPR: CDS010445|ALDRICH
Anward: ANW-63514...49 total

ref: mol2, SDF, SMILES, flexibase
-1.24,-3.06,-39.7,3,4,0, 193.202, 1

Similar to: 4202494, 36519519, 36519521, 38527401, 38527402, ... 10 in total.
8076086
 
#89

ChemMol: 30200900, 97600241, 30106600
Acros Organics: 44129
AKOS: AKOS015841817
Alfa-Aesar: B25155
American Custom Chemicals Corp.: AAA0000440...79 total

ref: mol2, SDF, SMILES, flexibase
-0.77,3.44,-36.42,3,3,0, 179.219, 3

Similar to: 34226463, 34226464, 34543627, 38416981, 38434796, ... 8 in total.
2526315
 
#90

ChemMol: 97600240
AK Scientific: 2643AA
Ark Pharm Building Blocks: AK115359
BePharm Building Blocks: B111088
Chembo Pharma: KB-211173...21 total

ref: mol2, SDF, SMILES, flexibase
0.17,-0.6,-47.1,3,5,0, 279.336, 10

Similar to: 4521148, 34347892, 34399027, 38222330, 38764774, ... 5 in total.
2526282
 
#91

ChemMol: 30100451, 97600239, 44025687
ACT Chemical BB: ACT10912
Aldrich CPR: CDS006940|ALDRICH
Alfa-Aesar: H52117, H63073
Apexmol Building Blocks: AM82330...38 total

ref: mol2, SDF, SMILES, flexibase
4.73,0.29,-55.07,1,6,-1, 416.453, 8

Similar to: 2583005, 2583011, 2583013, 2583017, 2583022, ... 14 in total.
2517189
 
#92

ChemMol: 30114924, 97600238, 44033973, 42302364
AK Scientific: L753, 6328AB
Aldrich CPR: PH011203|ALDRICH
Alfa-Aesar: H27518, H64132
American Custom Chemicals Corp.: AAA0000512...58 total

ref: mol2, SDF, SMILES, flexibase
-0.78,3.78,-38.85,3,3,0, 179.219, 3

Similar to: 3679864, 6096518, 31502219, 35822841, 35822949, ... 11 in total.
2517162
 
#93

ChemMol: 97600237
Enolase via KEGG (EFI): C16759_1
TCM Database @ Taiwan: 27367, 33050
Anward: ANW-73156, ANW-24504
Apexmol Building Blocks: AM82405...62 total

ref: mol2, SDF, SMILES, flexibase
-1.86,2.93,-31.05,3,3,0, 161.226, 5
hi: mol2, SDF, SMILES, flexibase
-1.86,2.59,-42.33,2,3,-1, 160.218, 5

Similar to: 1530546,
2517150
 
#94

ChemMol: 30116192, 97600236
ACT Chemical BB: ACT06565
AKOS: AKOS015892812
Alfa-Aesar: H62954, H51990
Amadis Chemical: A847248...42 total

ref: mol2, SDF, SMILES, flexibase
3.96,-1.92,-54.54,2,8,-1, 439.488, 10

Similar to: 39927910,
2517148
 
#95

ChemMol: 97600235
Molport: MolPort-003-795-018
AK Scientific: Z7848
AKOS: AKOS015912035
Alfa-Aesar: H66707...36 total

ref: mol2, SDF, SMILES, flexibase
6.13,0.87,-57.24,1,6,-1, 490.535, 9

Similar to: 44225084, 44225089, 44225094, 44225099, ... 4 in total.
4208799
 
#96

ChemMol: 30114896, 97600234
AK Scientific: V1133
AKOS: AKOS015912368
Alfa-Aesar: H66746
Apexmol Building Blocks: AM20050372...44 total

ref: mol2, SDF, SMILES, flexibase
5.20,0.32,-55.38,1,5,-1, 400.454, 8

Similar to: 34441076, 34441077, 4208798,
4218200
 
#97

ChemMol: 30114880, 97600233
Molport: MolPort-009-196-573
AK Scientific: 7991AE
Alfa-Aesar: H52167
APIChem: AC-9994...38 total

ref: mol2, SDF, SMILES, flexibase
4.26,-0.31,-54.6,1,5,-1, 392.456, 7

Similar to: 643271,
643271
 
#98

ChemMol: 30114879, 97600232
Molport: MolPort-009-196-573
AK Scientific: 7991AE
APIChem: AC-9995
Ark Pharm Building Blocks: AK114795...34 total

ref: mol2, SDF, SMILES, flexibase
4.26,-0.36,-54.96,1,5,-1, 392.456, 7

Similar to: 4218200,
4208816
 
#99

ChemMol: 44025692, 30107008, 97600231
AK Scientific: M465
Alfa-Aesar: H63688, H51967
Amadis Chemical: A845585
Angene Building Blocks: AGN-PC-0W622N...50 total

ref: mol2, SDF, SMILES, flexibase
5.84,0.21,-58.74,1,5,-1, 436.487, 7

Similar to: 4208817, 2389748,
57568
 
#100

ChemMol: 30109380, 44008373, 30201454, 30102364, 97300740, 30200659, 97600230, 2000094, 96707885, 97801805, 44002596
eMolecules: 475781
Acros Organics: 38476, 39783
ACT Chemical BB: ACT02136
AK Scientific: N449...128 total

ref: mol2, SDF, SMILES, flexibase
0.06,5.49,-61.88,0,5,-1, 228.268, 3

Similar to: 2383865, 34131314, 34131316, 34219618, 35898581, ... 20 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 = 616 ) limit 0,100

Smiles were