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96347865
 
#1

BOC Sciences BB: 140385-74-6
Sigma Aldrich (Building Blocks): I9892|SIGMA
Alfa Chemistry (Depleted): ACM93133767
ChEBI: CHEBI:58414, CHEBI:18228
ChEMBL19: CHEMBL1160776...10 total

95060657
 
#2

Molport: MolPort-023-220-458
AK Scientific: O812
BOC Sciences BB: 144143-96-4
Molport BB: MolPort-023-220-458
Tractus: TRA0020798...6 total

38582530
 
#3

BOC Sciences BB: 144128-27-8
ref: mol2, SDF, SMILES, flexibase
0.60,4.32,-11.21,0,3,0, 156.181, 3

Similar to: 22012961,
96347845
 
#4

BOC Sciences BB: 144128-27-8
ref: mol2, SDF, SMILES, flexibase
0.60,4.32,-12.66,0,3,0, 156.181, 3
96347844
 
#5

BOC Sciences BB: 144128-27-8
ref: mol2, SDF, SMILES, flexibase
0.60,4.19,-14.09,0,3,0, 156.181, 3
40435390
 
#6

BOC Sciences BB: 143807-66-3
ref: mol2, SDF, SMILES, flexibase
4.09,11.57,-11.63,1,5,0, 394.515, 4
96347829
 
#7

AK Scientific: Y0514
BOC Sciences BB: 143545-90-8
ref: mol2, SDF, SMILES, flexibase
-3.66,-2.48,-64.16,5,12,0, 415.428, 4
hi: mol2, SDF, SMILES, flexibase
-3.21,-3.43,-68.08,4,12,-1, 414.42, 4
2382386
 
#8

BOC Sciences BB: 143412-40-2
SureChEMBL: SCHEMBL6074582, SCHEMBL5694608
ref: mol2, SDF, SMILES, flexibase
1.64,2.1,-51.06,5,4,1, 257.313, 4
hi: mol2, SDF, SMILES, flexibase
1.64,1.72,-10.39,4,4,0, 256.305, 4

Similar to: 1567835, 1999243,
96347821
 
#9

BOC Sciences BB: 1528-72-9
ref: mol2, SDF, SMILES, flexibase
0.47,-1.91,-37.01,2,3,-1, 152.22, 2
96347820
 
#10

BOC Sciences BB: 1528-72-9
ref: mol2, SDF, SMILES, flexibase
0.47,-1.91,-37.02,2,3,-1, 152.22, 2
5137943
 
#11

BOC Sciences BB: 143268-49-9
ref: mol2, SDF, SMILES, flexibase
2.74,8.03,-5.48,0,2,0, 188.274, 0
20112420
 
#12

eMolecules: 789521
Molport: MolPort-002-514-396
Apexmol Building Blocks: AM83479
BOC Sciences BB: 142434-81-9
Chembo Pharma: KB-40294...15 total

ref: mol2, SDF, SMILES, flexibase
-2.52,1.94,-67.91,4,6,-1, 258.19, 5

Similar to: 34537613, 34537614, 34537615,
95619101
 
#13

eMolecules: 902392
AK Scientific: R463, H959
Ark Pharm Building Blocks: AK-72950
BOC Sciences BB: 142387-99-3
Boerchem Pharmatech BB: BC205445...48 total

95619100
 
#14

eMolecules: 902392
AK Scientific: R463, H959
Ark Pharm Building Blocks: AK-72950
BOC Sciences BB: 142387-99-3
Boerchem Pharmatech BB: BC205445...52 total

1664146
 
#15

BOC Sciences BB: 1520-46-3
SureChEMBL: SCHEMBL4785594, SCHEMBL1287678, SCHEMBL2792481
ref: mol2, SDF, SMILES, flexibase
4.67,10.77,-2.96,0,0,0, 210.32, 4
4792503
 
#16

BOC Sciences BB: 1519-43-3
SureChEMBL: SCHEMBL11302373, SCHEMBL11302066
ref: mol2, SDF, SMILES, flexibase
1.88,11.36,-41.1,0,2,0, 260.358, 11
2598156
 
#17

BOC Sciences BB: 142022-59-1
ref: mol2, SDF, SMILES, flexibase
5.54,9.56,-5.26,0,4,0, 318.543, 3
24714660
 
#18

BOC Sciences BB: 140385-74-6
Cayman Chemical: 60972
Sigma Aldrich (Building Blocks): I9892|SIGMA
Bovine Metabolome: BMDB01143
ChEMBL12: CHEMBL329137...13 total

ref: mol2, SDF, SMILES, flexibase
-4.71,-8.23,-495.03,4,15,-5, 415.053, 6
mid: mol2, SDF, SMILES, flexibase
-4.71,-7.09,-636.76,3,15,-6, 414.045, 6
mid: mol2, SDF, SMILES, flexibase
-4.71,-8.24,-452.98,4,15,-5, 415.053, 6
mid: mol2, SDF, SMILES, flexibase
-4.71,-8.24,-494.67,4,15,-5, 415.053, 6
mid: mol2, SDF, SMILES, flexibase
-4.71,-8.23,-462.37,4,15,-5, 415.053, 6
lo: mol2, SDF, SMILES, flexibase
-4.71,-10.53,-190.91,6,15,-3, 417.069, 6
lo: mol2, SDF, SMILES, flexibase
-4.71,-10.52,-190.65,6,15,-3, 417.069, 6
84317010
 
#19

Acros Organics: 35626, 12747
Alfa-Aesar: B24405, L14429, L20075
Angene Building Blocks: AGN-PC-0OHJ5C, AGN-PC-0JL6YH
Anward: ANW-16014, ANW-36536
Apexmol Building Blocks: AM20080043...68 total

hi: mol2, SDF, SMILES, flexibase
-0.28,-0.62,-33.47,3,2,1, 101.173, 0
84317009
 
#20

Acros Organics: 12747, 35627
AK Scientific: X3043
Alfa-Aesar: B24405, B22366, L20074
Angene Building Blocks: AGN-PC-0OHM9X, AGN-PC-0JL6YH
Anward: ANW-16014...65 total

hi: mol2, SDF, SMILES, flexibase
-0.28,-0.61,-32.58,3,2,1, 101.173, 0
53246208
 
#21

Active BioPharma: 1230
Angene Building Blocks: AGN-PC-0PO6GQ
BOC Sciences BB: 139298-40-1
Cayman Chemical: 13319
Chembo Pharma: KB-125319...27 total

96347735
 
#22

BOC Sciences BB: 139255-43-9
ref: mol2, SDF, SMILES, flexibase
-0.58,7.11,-41.51,0,7,0, 458.561, 2
96347733
 
#23

BOC Sciences BB: 139087-53-9
SureChEMBL: SCHEMBL3631926
ref: mol2, SDF, SMILES, flexibase
2.52,6.87,-9.82,2,5,0, 280.283, 3
19367672
 
#24

eMolecules: 550271
Molport: MolPort-002-546-041
AK Scientific: Z2243
Aldrich CPR: L163228|ALDRICH
APIChem: AC-15653...12 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-3.37,-70.63,3,8,1, 255.254, 3
mid: mol2, SDF, SMILES, flexibase
-1.04,-5.69,-16.75,2,8,0, 254.246, 3
lo: mol2, SDF, SMILES, flexibase
-1.04,-1.07,-168.55,4,8,2, 256.262, 3

Similar to: 4862976,
96347710
 
#25

BOC Sciences BB: 138191-94-3
ref: mol2, SDF, SMILES, flexibase
-0.50,-2.99,-14.16,2,8,0, 237.219, 2
49772267
 
#26

Active BioPharma: 1575
AK Scientific: 6580AA
Amadis Chemical: A846232
Anward: ANW-60396
Ark Pharm Building Blocks: AK101209...22 total

95935271
 
#27

BOC Sciences BB: 1479-22-7
Chembo Pharma: KB-230503
96347698
 
#28

BOC Sciences BB: 137204-24-1
ref: mol2, SDF, SMILES, flexibase
-1.96,-9.65,-18.53,7,13,0, 454.425, 9
95092805
 
#29

Ark Pharm Building Blocks: AK129758
BOC Sciences BB: 147221-93-0, 136817-59-9
Boerchem Pharmatech BB: BC219340
Chembo Pharma: KB-78327, KB-49645
Ryan Scientific: 048-04907...44 total

53172723
 
#30

BOC Sciences BB: 136803-89-9
BindingDB.org: 50059847
ChEMBL12: CHEMBL101144
ChEMBL19: CHEMBL101144
Leadscope via PubChem: LS-130704...6 total

mid: mol2, SDF, SMILES, flexibase
1.53,2.84,-56.8,4,11,-1, 475.437, 5
2512180
 
#31

Alfa-Aesar: H60592
BOC Sciences BB: 136705-75-4
Sigma Aldrich (Building Blocks): 675520|ALDRICH, 14788|ALDRICH, 665258|ALDRICH
Tetrahedron Building Blocks: TS75276
Acros Organics (Depleted): 36342...10 total

ref: mol2, SDF, SMILES, flexibase
3.13,12.35,-92.9,0,0,2, 308.386, 2
mid: mol2, SDF, SMILES, flexibase
3.13,11.9,-29.86,0,0,1, 307.378, 2
hi: mol2, SDF, SMILES, flexibase
3.13,11.59,-4.7,0,0,0, 306.37, 2
21984233
 
#32

ChemMol: 30102967
APIChem: AC-13330
BOC Sciences BB: 137786-05-1
Bosche Scientific: T8460
Chembo Pharma: KB-146025...15 total

ref: mol2, SDF, SMILES, flexibase
0.56,2.73,-10.49,3,4,0, 186.284, 2
hi: mol2, SDF, SMILES, flexibase
1.39,2.82,-5.56,3,4,0, 186.284, 1
lo: mol2, SDF, SMILES, flexibase
0.56,2.93,-26.9,4,4,1, 187.292, 2
lo: mol2, SDF, SMILES, flexibase
1.39,2.97,-26.82,4,4,1, 187.292, 1
96347657
 
#33

BOC Sciences BB: 135689-16-6
ref: mol2, SDF, SMILES, flexibase
4.67,10.81,-126.13,1,9,-2, 506.238, 7
mid: mol2, SDF, SMILES, flexibase
4.67,9.72,-40.78,2,9,-1, 507.246, 7
22008718
 
#34

ChemMol: 30109706
ACT Chemical BB: ACT04281
AK Scientific: 6365AA
Anward: ANW-60365
APIChem: AC-3454...24 total

ref: mol2, SDF, SMILES, flexibase
1.99,3.53,-53.06,3,3,1, 241.261, 2
ref: mol2, SDF, SMILES, flexibase
1.99,3.84,-43.83,3,3,1, 241.261, 2

Similar to: 39389875, 39389876,
18123155
 
#35

ChemMol: 96700504
eMolecules: 7325536
Molport: MolPort-002-941-733
Acros Organics: 24174
BioSynth: W-203229...36 total

ref: mol2, SDF, SMILES, flexibase
-0.77,-4.96,-33.74,2,7,-1, 152.093, 0
ref: mol2, SDF, SMILES, flexibase
-0.77,-5.01,-31.2,2,7,-1, 152.093, 0
mid: mol2, SDF, SMILES, flexibase
-0.77,-6.06,-35.4,2,7,-1, 152.093, 0
mid: mol2, SDF, SMILES, flexibase
-0.31,-6,-94.24,1,7,-2, 151.085, 0
mid: mol2, SDF, SMILES, flexibase
-1.23,-2.99,-11.54,3,7,0, 153.101, 0
mid: mol2, SDF, SMILES, flexibase
-0.77,-4.94,-35.93,2,7,-1, 152.093, 0
lo: mol2, SDF, SMILES, flexibase
-1.23,-3.06,-7.87,3,7,0, 153.101, 0

Similar to: 39268773, 39268776, 39268778,
33985234
 
#36

BOC Sciences BB: 135271-51-1
ref: mol2, SDF, SMILES, flexibase
4.21,8.93,-46.3,1,3,-1, 265.373, 11
lo: mol2, SDF, SMILES, flexibase
4.21,6.96,-7.32,2,3,0, 266.381, 11
18125929
 
#37

eMolecules: 831486, 4429433
Scientific Exchange (make on demand): F-129309, Z-058653
Acros Organics: 43231
Aldrich CPR: CDS011653|ALDRICH
Alinda Building Blocks: ALBB-014393...61 total

ref: mol2, SDF, SMILES, flexibase
0.18,3.06,-4.59,0,4,0, 176.204, 1
mid: mol2, SDF, SMILES, flexibase
0.93,3.63,-40.54,1,4,-1, 177.212, 1
mid: mol2, SDF, SMILES, flexibase
0.93,3.73,-28.06,2,4,0, 178.22, 1

Similar to: 60219841,
96347632
 
#38

BOC Sciences BB: 135043-63-9
SureChEMBL: SCHEMBL3336998, SCHEMBL1498028
ref: mol2, SDF, SMILES, flexibase
0.79,-2,-4.45,4,4,0, 182.223, 3
96347624
 
#39

BOC Sciences BB: 134907-91-8
ref: mol2, SDF, SMILES, flexibase
-2.49,-2.6,-135.27,4,12,-2, 331.181, 3
lo: mol2, SDF, SMILES, flexibase
-2.49,-3.75,-48.16,5,12,-1, 332.189, 3
96347623
 
#40

BOC Sciences BB: 134895-14-0
ref: mol2, SDF, SMILES, flexibase
4.40,11.47,-59.29,0,8,-1, 410.413, 5
lo: mol2, SDF, SMILES, flexibase
4.40,11.82,-77.41,1,8,0, 411.421, 5
33639432
 
#41

BOC Sciences BB: 134705-35-4
SureChEMBL: SCHEMBL8508168
ref: mol2, SDF, SMILES, flexibase
0.04,3.75,-10.4,0,2,0, 132.546, 0
34370101
 
#42

Acorn PharmaTech: ACN-P001051
Ark Pharm Building Blocks: AK139806
BOC Sciences BB: 133746-66-4
Chemstep: 74731
Synblock: AB57912...6 total

ref: mol2, SDF, SMILES, flexibase
-0.24,1.78,-34.44,4,4,1, 112.112, 1
mid: mol2, SDF, SMILES, flexibase
-0.24,1.33,-16.12,3,4,0, 111.104, 1
44830487
 
#43

BOC Sciences BB: 133099-07-7
ref: mol2, SDF, SMILES, flexibase
0.44,13.64,-43.32,1,4,1, 425.552, 7
917670
 
#44

eMolecules: 1436904
AK Scientific: 4336AD
Ark Pharm Building Blocks: AK-99192
Asinex: BAS03592045
BOC Sciences BB: 1437-67-8...25 total

19632657
 
#45

ChemMol: 30102668, 97900689, 44003908
eMolecules: 2725769
Molport: MolPort-003-845-950
Active BioPharma: 1476
AK Scientific: H738...64 total

ref: mol2, SDF, SMILES, flexibase
5.72,14.86,-19.33,1,9,0, 492.528, 12

Similar to: 34402822, 34402823, 34421945, 34421948, 34426090, ... 9 in total.
19632663
 
#46

ChemMol: 44003908, 30102668, 97900689
eMolecules: 2725769
Molport: MolPort-003-845-950
Active BioPharma: 1476
AK Scientific: H738...67 total

ref: mol2, SDF, SMILES, flexibase
5.72,14.87,-18.72,1,9,0, 492.528, 12

Similar to: 34402822, 34402823, 34421945, 34421948, 34426090, ... 9 in total.
4214775
 
#47

Molport: MolPort-019-991-813
TCM Database @ Taiwan: 29999, tcm03_000336
American Custom Chemicals Corp.: PXT0000261
BioSynth: Q-100153, W-202188
BOC Sciences BB: 1415-73-2...58 total

ref: mol2, SDF, SMILES, flexibase
0.18,-7.66,-19.71,7,9,0, 418.398, 3
ref: mol2, SDF, SMILES, flexibase
0.18,-7.69,-19.21,7,9,0, 418.398, 3
hi: mol2, SDF, SMILES, flexibase
0.18,-6.67,-69.21,6,9,-1, 417.39, 3
hi: mol2, SDF, SMILES, flexibase
0.18,-6.67,-74.06,6,9,-1, 417.39, 3
hi: mol2, SDF, SMILES, flexibase
0.18,-5.94,-162.03,5,9,-2, 416.382, 3
hi: mol2, SDF, SMILES, flexibase
0.18,-6.7,-71.53,6,9,-1, 417.39, 3
hi: mol2, SDF, SMILES, flexibase
0.18,-6.7,-71.2,6,9,-1, 417.39, 3

Similar to: 4523265, 4523267, 14417215, 14417217, 14417219, ... 10 in total.
2509851
 
#48

BOC Sciences BB: 131124-82-8
ref: mol2, SDF, SMILES, flexibase
1.29,5.94,-208.03,1,9,-3, 358.263, 8
mid: mol2, SDF, SMILES, flexibase
1.29,4.8,-103.89,2,9,-2, 359.271, 8
2555638
 
#49

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.
2599350
 
#50

Molport: MolPort-020-060-297
Alfa-Aesar: H66610
Ark Pharm Building Blocks: AK153538, AK157551
BOC Sciences BB: 146737-65-7
Enamine Building Blocks: EN300-68466...23 total

ref: mol2, SDF, SMILES, flexibase
1.28,4.39,-45.69,3,1,1, 148.229, 1
13644798
 
#51

AK Scientific: 7277AA
Ark Pharm Building Blocks: AK101616
BePharm Building Blocks: B233155
BOC Sciences BB: 146725-33-9
Chembo Pharma: KB-205329...8 total

ref: mol2, SDF, SMILES, flexibase
3.59,7.75,-37.89,2,3,1, 280.775, 3

Similar to: 38579474, 38781991, 6482419, 6482428, 6482449, ... 6 in total.
5113418
 
#52

BOC Sciences BB: 146724-95-0
Cayman Chemical: 82110
Sigma Aldrich (Building Blocks): D5057|ALDRICH
Tractus: TRA0025833
ChEMBL12: CHEMBL1163076...11 total

ref: mol2, SDF, SMILES, flexibase
-2.02,-4.02,-98.38,7,7,2, 193.251, 8

Similar to: 4262467,
3870521
 
#53

BOC Sciences BB: 146724-84-7
FineTech: FT-0613558
Toronto Research Chemicals: H948250
Tractus: TRA0025829
ChemDB: 3964619...10 total

ref: mol2, SDF, SMILES, flexibase
-0.12,-2.05,-40.25,3,6,1, 163.201, 6
1535903
 
#54

ChemMol: 30115902, 44014789
Apexmol Building Blocks: AM84406
APIChem: AC-22751
BOC Sciences BB: 144510-96-3
Molport BB: MolPort-009-199-505...37 total

ref: mol2, SDF, SMILES, flexibase
-0.20,-8.62,-110.91,8,7,2, 327.388, 6

Similar to: 27987445, 35803156, 38559377, 39131636, ... 4 in total.
286958
 
#55

ChemMol: 44020610
eMolecules: 27254348, 2012693
Molport: MolPort-020-166-186
AK Scientific: Y6709
AKOS: AKOS004902574...79 total

ref: mol2, SDF, SMILES, flexibase
-0.75,4.11,-39.83,3,3,1, 180.227, 4

Similar to: 34597319, 34618863, 39027118, 39126932, ... 4 in total.
38339199
 
#56

ChemMol: 30110911
APIChem: AC-546
BOC Sciences BB: 144481-98-1
PubChem: 53486297
ShangHai Biochempartner (Depleted): TEMP00000026...8 total

ref: mol2, SDF, SMILES, flexibase
-0.05,4.27,-60.22,4,11,1, 510.608, 13
hi: mol2, SDF, SMILES, flexibase
-0.05,2.88,-18.28,3,11,0, 509.6, 13
38339196
 
#57

ChemMol: 30110911
APIChem: AC-546
BOC Sciences BB: 144481-98-1
PubChem: 53486297
ShangHai Biochempartner (Depleted): TEMP00000025...8 total

ref: mol2, SDF, SMILES, flexibase
-0.05,4.26,-61.19,4,11,1, 510.608, 13
hi: mol2, SDF, SMILES, flexibase
-0.05,2.86,-20.44,3,11,0, 509.6, 13
31302460
 
#58

BioSynth: W-109677
BOC Sciences BB: 1533-78-4
ChemDB: 7599886
Leadscope via PubChem: LS-164901
PubChem: 73749...5 total

ref: mol2, SDF, SMILES, flexibase
4.09,11.38,-19.4,1,12,0, 505.915, 13
31302451
 
#59

BioSynth: W-109676
BOC Sciences BB: 1533-74-0
ChemDB: 7599883
PubChem: 73746
ref: mol2, SDF, SMILES, flexibase
3.48,10.83,-19.95,1,12,0, 471.47, 13
154817
 
#60

ChemMol: 51501999
Molport: MolPort-001-791-417
Angene Building Blocks: AGN-PC-0BTSXI
Anward: ANW-59241
Apexmol Building Blocks: AM20050832...63 total

ref: mol2, SDF, SMILES, flexibase
1.66,4.31,-28.62,3,2,1, 145.185, 0
mid: mol2, SDF, SMILES, flexibase
1.66,3.85,-6.27,2,2,0, 144.177, 0

Similar to: 39119704, 39119710, 39119715, 39119730, 39375320, ... 5 in total.
29568704
 
#61

ChemMol: 97601302, 51504637
American Custom Chemicals Corp.: CCH0012658
BOC Sciences BB: 144371-23-3
Synchem UG and Co KG: bio049
Tetrahedron Building Blocks: TS38240...28 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.69,-51.19,1,3,-1, 201.201, 2

Similar to: 34355593, 34591515, 5357792, 5357803, ... 4 in total.
1482068
 
#62

American Custom Chemicals Corp.: HCH0129442
Apexmol Building Blocks: AM806770
BioSynth: W-201263
BOC Sciences BB: 144334-59-8
Toronto Research Chemicals: F591546...22 total

ref: mol2, SDF, SMILES, flexibase
-2.11,-4.69,-46.65,5,5,0, 215.18, 3
4899676
 
#63

Bachem: E-2990
BOC Sciences BB: 144317-21-5
PubChem: 7408429
ref: mol2, SDF, SMILES, flexibase
1.90,10.5,-51.41,4,5,0, 402.494, 8
hi: mol2, SDF, SMILES, flexibase
1.90,10.18,-54.93,3,5,-1, 401.486, 8

Similar to: 4899661,
34546371
 
#64

ChemMol: 44016355, 97603650
Amadis Chemical: A848306
American Custom Chemicals Corp.: CCH0001382
Ark Pharm Building Blocks: AK139205
BOC Sciences BB: 144282-41-7...17 total

ref: mol2, SDF, SMILES, flexibase
0.24,4.83,-54.99,3,3,1, 217.292, 2

Similar to: 38436061, 38589377, 38763127,
34329802
 
#65

BOC Sciences BB: 144238-35-7
Chembo Pharma: KB-291104
Chemstep: 74465, 74456
Tractus: TRA0161360
IBM Patent Data: 136142880...13 total

ref: mol2, SDF, SMILES, flexibase
-0.43,-1.87,-40.61,4,2,1, 101.173, 0
mid: mol2, SDF, SMILES, flexibase
-0.43,-0.67,-36.27,4,2,1, 101.173, 0
mid: mol2, SDF, SMILES, flexibase
-0.43,-0.41,-109.25,5,2,2, 102.181, 0

Similar to: 49587179, 49587180,
2243193
 
#66

ChemMol: 1036162, 44027344, 96705616, 2000600, 44012976
AK Scientific: W3148
AKOS: AKOS005063363
Alfa-Aesar: L19555
Angene Building Blocks: AGN-PC-0KKMG3...87 total

ref: mol2, SDF, SMILES, flexibase
0.79,2.6,-43.08,2,1,1, 122.138, 0
4284369
 
#67

ChemMol: 30102583, 44015440, 1030656
Molport: MolPort-002-499-285
Acros Organics: 36368
AKOS: AKOS015897291
American Custom Chemicals Corp.: CHM0004427...111 total

ref: mol2, SDF, SMILES, flexibase
2.15,-5.68,-52.77,4,4,1, 367.494, 6

Similar to: 4352881, 4352887, 4352888, 4352889, 4978414, ... 21 in total.
161689
 
#68

ChemMol: 30200515, 97300764, 83602715, 44000095, 1036167, 44018564, 96708145, 2000067
eMolecules: 515557
Molport: MolPort-000-000-340
A&J Pharmtech: AJ-00585
Acorn PharmaTech: ACN-S003796...112 total

ref: mol2, SDF, SMILES, flexibase
0.96,3.56,-51.88,3,4,1, 215.317, 3

Similar to: 11593865, 34345673, 34452723, 34527353, 34581058, ... 9 in total.
20417904
 
#69

ChemMol: 44020415
eMolecules: 3789555
Molport: MolPort-019-931-190
Scientific Exchange (make on demand): H-036551
ACT Chemical BB: ACT08672...35 total

ref: mol2, SDF, SMILES, flexibase
0.16,1.63,-38.75,2,2,1, 129.208, 2
hi: mol2, SDF, SMILES, flexibase
0.16,0.13,-4.84,1,2,0, 128.2, 2

Similar to: 39134442,
2565874
 
#70

ChemMol: 30113789
AK Scientific: V0044
Alfa-Aesar: H66448
Apexmol Building Blocks: AM81715
APIChem: AC-8590...27 total

ref: mol2, SDF, SMILES, flexibase
5.38,0.7,-53.44,1,7,-1, 408.43, 11

Similar to: 2583469, 28031744, 34585306, 34585631, 36454451, ... 6 in total.
1571335
 
#71

ChemMol: 97600147, 44021221, 30109813, 44015053
eMolecules: 28205458, 476258
Molport: MolPort-023-141-508
Acros Organics: 17422
AK Scientific: M244...91 total

ref: mol2, SDF, SMILES, flexibase
-2.12,-1.57,-42.87,3,3,0, 115.132, 3

Similar to: 5157492, 5157493, 34596202,
1696507
 
#72

ChemMol: 30106599, 44015053, 97600111, 97300288
eMolecules: 476258
Acros Organics: MAY00253, 27541, 17422
ACT Chemical BB: ACT02836
AK Scientific: 7090AA...102 total

ref: mol2, SDF, SMILES, flexibase
-2.12,1.54,-35.49,3,3,0, 115.132, 3
hi: mol2, SDF, SMILES, flexibase
-2.12,1.23,-43.8,2,3,-1, 114.124, 3

Similar to: 5157492, 5157493, 34596202,
4207035
 
#73

eMolecules: 1556474
AK Scientific: 7085AA
AKOS: AKOS000273548
Alinda Building Blocks: ALBB-015501
Anward: ANW-53138...54 total

ref: mol2, SDF, SMILES, flexibase
2.98,0.14,-46.47,0,3,-1, 236.247, 2

Similar to: 31945671, 31945679, 31945693, 31945696, 31945697, ... 21 in total.
5423
 
#74

ChemMol: 30109027, 97900038, 44006998
eMolecules: 6719182
Molport: MolPort-005-940-740
Acorn PharmaTech: ACN-S001482
ACT Chemical BB: ACT06289...86 total

ref: mol2, SDF, SMILES, flexibase
3.68,8.74,-49.14,0,5,-1, 315.374, 5
6882649
 
#75

AK Scientific: V4304
Ark Pharm Building Blocks: AK-33281
Bide Pharmatech BB: BD27528
BOC Sciences BB: 143979-44-6
Chembo Pharma: KB-33170...26 total

ref: mol2, SDF, SMILES, flexibase
1.35,1.14,-60.39,0,5,-1, 290.339, 4

Similar to: 38288621, 38781464,
6882645
 
#76

American Custom Chemicals Corp.: CCH0005140
Ark Pharm Building Blocks: AK-33281
Bide Pharmatech BB: BD27528
BOC Sciences BB: 143979-44-6
Chembo Pharma: KB-33170...24 total

ref: mol2, SDF, SMILES, flexibase
1.35,1.33,-60.8,0,5,-1, 290.339, 4

Similar to: 38288621, 38781464,
2583065
 
#77

Ark Pharm Building Blocks: AK-33281
Bide Pharmatech BB: BD27528
BOC Sciences BB: 143979-44-6
Chembo Pharma: KB-33170
Molport BB: MolPort-009-199-109...17 total

ref: mol2, SDF, SMILES, flexibase
1.35,9.11,-58.36,0,5,-1, 290.339, 4

Similar to: 38781464,
6882644
 
#78

Ark Pharm Building Blocks: AK-33281
Bide Pharmatech BB: BD27528
BOC Sciences BB: 143979-44-6
Chembo Pharma: KB-33170
Molport BB: MolPort-009-199-109...17 total

ref: mol2, SDF, SMILES, flexibase
1.35,8.89,-57.93,0,5,-1, 290.339, 4

Similar to: 38781464,
2379432
 
#79

ChemMol: 30113686, 97600582
Acros Organics: 39010, 44116
AK Scientific: M109, 3340AA
Aldrich CPR: PH009758|ALDRICH
Alfa-Aesar: H52062...73 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.49,-50.94,1,5,-1, 214.241, 6

Similar to: 2379460, 2583470, 34361622, 34398524, 34398525, ... 11 in total.
19089721
 
#80

eMolecules: 46472013, 835558, 1949055
Molport: MolPort-001-002-841, MolPort-002-707-667
AKOS: AKOS003234043, AKOS000271455, AKOS000297067
Aldrich CPR: CBR00328|ALDRICH, CDS001828|ALDRICH
Ark Pharm Building Blocks: AK-67355...82 total

ref: mol2, SDF, SMILES, flexibase
-1.27,2.85,-52.2,3,6,-1, 141.11, 2
lo: mol2, SDF, SMILES, flexibase
-1.27,2.93,-45.65,4,6,0, 142.118, 2
44185278
 
#81

Ark Pharm Building Blocks: AK-44273
BOC Sciences BB: 143803-80-9
Chembo Pharma: KB-246640
Enamine Building Blocks: EN300-84744
Life Chemicals Building Blocks: F2199-0092...13 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.46,-57.95,0,4,-1, 175.167, 1
3073971
 
#82

eMolecules: 710454
ACB Blocks: TOS-0902
AKOS: AKOS001476607
Aldrich CPR: CDS011346|ALDRICH
Angene Building Blocks: AGN-PC-0PUJIB...39 total

ref: mol2, SDF, SMILES, flexibase
-1.13,7.42,-65.14,0,4,-1, 218.232, 1

Similar to: 32217045, 32217048, 32217049, 32217052, 34429980, ... 10 in total.
3073972
 
#83

eMolecules: 710454
ACB Blocks: TOS-0902
AKOS: AKOS001476607
Aldrich CPR: CDS011346|ALDRICH
Angene Building Blocks: AGN-PC-0PUJIB...38 total

ref: mol2, SDF, SMILES, flexibase
-1.13,7.44,-65.03,0,4,-1, 218.232, 1

Similar to: 32217045, 32217048, 32217049, 32217052, 36778271, ... 7 in total.
16696932
 
#84

ChemMol: 44016784, 97603365
American Custom Chemicals Corp.: CHM0032471
BOC Sciences BB: 143700-05-4
Bosche Scientific: A18282
Fluorochem: 036828...16 total

ref: mol2, SDF, SMILES, flexibase
1.28,-2.06,-8.31,1,7,0, 228.252, 3

Similar to: 32098835, 32098836, 32098837, 34826241, 34826243, ... 5 in total.
1576223
 
#85

ChemMol: 30202570, 44004659
eMolecules: 26941801, 484974
Molport: MolPort-003-698-931
Acros Organics: 26524
ACT Chemical BB: ACT08644...88 total

ref: mol2, SDF, SMILES, flexibase
4.50,10.84,-54.19,1,5,-1, 352.41, 7

Similar to: 2583455, 2583458, 4242011, 4242014, 34034675, ... 10 in total.
2386561
 
#86

ChemMol: 30113718
AK Scientific: V2434
Anward: ANW-57926
APIChem: AC-8736
Ark Pharm Building Blocks: AK-25420...22 total

ref: mol2, SDF, SMILES, flexibase
1.87,6.65,-43.87,0,4,-1, 227.261, 6

Similar to: 12959102, 34520719, 34611790, 34619851, 34619853, ... 13 in total.
12959102
 
#87

ChemMol: 30113718
AK Scientific: V2434
Anward: ANW-57926
APIChem: AC-8736
Ark Pharm Building Blocks: AK-25420...22 total

ref: mol2, SDF, SMILES, flexibase
1.87,6.66,-43.61,0,4,-1, 227.261, 6

Similar to: 34520719, 34611790, 34619851, 34619853, 34657406, ... 13 in total.
2389705
 
#88

ChemMol: 97600922, 42302650
Molport: MolPort-003-990-132
AK Scientific: 7037AA
Anward: ANW-61828
Apexmol Building Blocks: AM82726...37 total

ref: mol2, SDF, SMILES, flexibase
4.22,1.5,-52.29,1,5,-1, 320.409, 7

Similar to: 2389806, 34319439, 34319440, 34319446, 34319447, ... 8 in total.
2546114
 
#89

Molport: MolPort-023-221-798
AK Scientific: S889
Anward: ANW-52843
Ark Pharm Building Blocks: AK-94414
BePharm Building Blocks: B231739...17 total

ref: mol2, SDF, SMILES, flexibase
0.18,3.87,-133.76,0,6,-2, 209.157, 4
lo: mol2, SDF, SMILES, flexibase
0.18,4.29,-88.57,1,6,-1, 210.165, 4
2522740
 
#90

ChemMol: 83602391
AK Scientific: 7032AA
Anward: ANW-20770
Ark Pharm Building Blocks: AK112987
BePharm Building Blocks: B13787...34 total

ref: mol2, SDF, SMILES, flexibase
3.06,-0.5,-56.12,1,4,-1, 217.2, 2

Similar to: 34344597, 39283573,
38585283
 
#91

BOC Sciences BB: 143339-58-6
Sigma Aldrich (Building Blocks): 674397|ALDRICH
Tractus: TRA0161368
AKOS BB (make-on-demand): AKOS015910751
PubChem: 10352850...9 total

ref: mol2, SDF, SMILES, flexibase
3.52,6.73,-40.74,3,1,1, 204.403, 10
226413
 
#92

eMolecules: 1343138
Asinex: BAS01550335
Asinex Building Blocks: BAS01550335
BOC Sciences BB: 143337-62-6
Matrix Scientific: 008130...32 total

ref: mol2, SDF, SMILES, flexibase
1.32,2.37,-40.66,3,3,1, 196.27, 5

Similar to: 32009222, 32009224, 32009235, 32009237, 32009249, ... 105 in total.
226411
 
#93

eMolecules: 1343138
Asinex: BAS01550335
Asinex Building Blocks: BAS01550335
BOC Sciences BB: 143337-62-6
Matrix Scientific: 008130...32 total

ref: mol2, SDF, SMILES, flexibase
1.32,2.3,-40.82,3,3,1, 196.27, 5

Similar to: 32009222, 32009224, 32009235, 32009237, 32009249, ... 109 in total.
3779249
 
#94

Molport: MolPort-020-014-401
AK Scientific: V2433
Apexmol Building Blocks: AM84391
Ark Pharm Building Blocks: AK-49397
Aromalake BB: LS30062...39 total

ref: mol2, SDF, SMILES, flexibase
3.47,0.15,-30.37,2,2,1, 294.216, 2

Similar to: 34530264, 16286,
4976068
 
#95

Anward: ANW-21409
Ark Pharm Building Blocks: AK154738
BOC Sciences BB: 1527-98-6
Element Store BB: b2star-1527-98-6
Labotest: LTBB002824...19 total

ref: mol2, SDF, SMILES, flexibase
4.45,2.13,-7.04,1,8,0, 252.23, 6

Similar to: 5179055, 5291010, 5732710,
4976072
 
#96

Anward: ANW-21407
Ark Pharm Building Blocks: AK154737
BOC Sciences BB: 1527-96-4
Labotest: LT00068574
Labotest Building Blocks: LT00068574...17 total

ref: mol2, SDF, SMILES, flexibase
3.91,2.26,-7.09,1,8,0, 250.214, 5

Similar to: 6307860,
1672344
 
#97

ChemMol: 44020883
eMolecules: 5825114
Molport: MolPort-002-904-669
Scientific Exchange (make on demand): M-317567
Acorn PharmaTech: ACN-S001759...37 total

ref: mol2, SDF, SMILES, flexibase
3.43,0.63,-54.42,0,2,-1, 229.28, 3

Similar to: 6661954, 39045701, 44250114,
21304548
 
#98

ChemMol: 1031420, 44016161
AK Scientific: W3120
Anward: ANW-47493
Ark Pharm Building Blocks: AK-33271
Aromalake BB: LS10258...25 total

ref: mol2, SDF, SMILES, flexibase
1.72,5.34,-15.27,0,4,0, 166.111, 1
7943
 
#99

BOC Sciences BB: 143257-98-1
Chembo Pharma: KB-217926
Life Chemicals: F2145-0456
Life Chemicals Building Blocks: F2145-0456
Mcule: MCULE-4083359329...22 total

ref: mol2, SDF, SMILES, flexibase
2.81,9.56,-49.37,2,4,1, 293.394, 3

Similar to: 33373872, 33373873,
45329612
 
#100

AK Scientific: 7022AA
American Custom Chemicals Corp.: CHM0077752
Ark Pharm Building Blocks: AK116551
BePharm Building Blocks: B167500
BOC Sciences BB: 143228-86-8...14 total

ref: mol2, SDF, SMILES, flexibase
-0.11,4.14,-55.01,0,3,-1, 127.119, 3

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 = 777 ) limit 0,100

Smiles were