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41201533
 
#1

Enamine Building Blocks: EN300-134870
Fluorochem: 080322
Oakwood Chemical: 080322
ref: mol2, SDF, SMILES, flexibase
1.81,2.17,-7.29,1,3,0, 181.166, 0
85667190
 
#2

Fluorochem: 080259
Oakwood Chemical: 080259
PubChem: 66563726
ref: mol2, SDF, SMILES, flexibase
1.65,1.84,-3.95,0,2,0, 166.077, 1
85667185
 
#3

Fluorochem: 080250
Oakwood Chemical: 080250
PubChem: 12927006
ref: mol2, SDF, SMILES, flexibase
2.21,4.71,-34.24,1,2,1, 164.228, 3
85667181
 
#4

Fluorochem: 080248
Oakwood Chemical: 080248
PubChem: 59461593, 66563725
SureChEMBL: SCHEMBL11898554, SCHEMBL2306868
Enamine BB Make on Demand: BBV-44862089...7 total

ref: mol2, SDF, SMILES, flexibase
2.58,3.97,-4.87,1,2,0, 226.073, 0
85667178
 
#5

Fluorochem: 080247
Oakwood Chemical: 080247
PubChem: 66563724, 56607063
ref: mol2, SDF, SMILES, flexibase
2.71,3.59,-6.86,1,3,0, 193.246, 2
19359198
 
#6

eMolecules: 1453574
Molport: MolPort-001-888-129
Scientific Exchange: M-128881
Asinex: BAS04443960
ChemDiv: 5979-0703...8 total

ref: mol2, SDF, SMILES, flexibase
0.69,5.66,-35.29,1,4,1, 269.372, 4
mid: mol2, SDF, SMILES, flexibase
0.69,3.35,-7.36,0,4,0, 268.364, 4
mid: mol2, SDF, SMILES, flexibase
0.69,4.58,-32.99,1,4,1, 269.372, 4
lo: mol2, SDF, SMILES, flexibase
0.69,6.05,-84.84,2,4,2, 270.38, 4
lo: mol2, SDF, SMILES, flexibase
0.69,4.62,-71.41,2,4,2, 270.38, 4

Similar to: 32241521, 33722963, 34526762, 34606401, 36777589, ... 9 in total.
59064373
 
#7

Anward: ANW-43642
BOC Sciences BB: 1293-87-4
BroadPharm: BP-10243
Capot Chemical: 10724
Fluorochem: 080148...17 total

18120528
 
#8

American Custom Chemicals Corp.: NEW0102188
Ark Pharm Building Blocks: AK126830
Chembo Pharma: KB-258226
Fluorochem: 080129
Innovapharm Building Blocks: BBS-00023699...12 total

ref: mol2, SDF, SMILES, flexibase
1.83,3.84,-34.68,1,2,1, 150.201, 2
85667170
 
#9

Fluorochem: 080114
Oakwood Chemical: 080114
PubChem: 66563721
ref: mol2, SDF, SMILES, flexibase
4.29,7.07,-3.43,0,0,0, 286.034, 1
14442473
 
#10

eMolecules: 1161160
Molport: MolPort-001-914-536
Aldrich CPR: S124702|ALDRICH
Asinex: BAS00100391
Fluorochem: 080083...16 total

ref: mol2, SDF, SMILES, flexibase
3.55,6.16,-7.53,1,3,0, 241.29, 4
ref: mol2, SDF, SMILES, flexibase
3.55,6.16,-6.98,1,3,0, 241.29, 4

Similar to: 21801778, 21806482, 38403910,
85667162
 
#11

Fluorochem: 080074
Oakwood Chemical: 080074
PubChem: 56965791
SureChEMBL: SCHEMBL2428809
ref: mol2, SDF, SMILES, flexibase
4.01,8.26,-6.11,0,2,0, 271.154, 4
32499142
 
#12

AK Scientific: W8290
Aldrich CPR: CDS009474|ALDRICH
Anward: ANW-52042
Ark Pharm Building Blocks: AK-16313
BePharm Building Blocks: B159438...17 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.5,-120.61,4,2,2, 178.279, 1
hi: mol2, SDF, SMILES, flexibase
1.42,3.15,-36.54,3,2,1, 177.271, 1
hi: mol2, SDF, SMILES, flexibase
1.42,1.85,-2.37,2,2,0, 176.263, 1
hi: mol2, SDF, SMILES, flexibase
1.42,3.2,-39.56,3,2,1, 177.271, 1

Similar to: 34542608, 34577464, 34577465, 39564223, 39564224, ... 5 in total.
32499141
 
#13

AK Scientific: W8290
Aldrich CPR: CDS009474|ALDRICH
Anward: ANW-52042
Ark Pharm Building Blocks: AK-16313
BePharm Building Blocks: B159438...17 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.5,-120.6,4,2,2, 178.279, 1
hi: mol2, SDF, SMILES, flexibase
1.42,3.16,-35.02,3,2,1, 177.271, 1
hi: mol2, SDF, SMILES, flexibase
1.42,2.04,-2.21,2,2,0, 176.263, 1
hi: mol2, SDF, SMILES, flexibase
1.42,3.39,-38.1,3,2,1, 177.271, 1

Similar to: 34577464, 34577465, 39564223, 39564224, ... 4 in total.
18102448
 
#14

eMolecules: 1009420
Acorn PharmaTech: ACN-S004619
Acros Organics: MO07170
AK Scientific: U855
Aldrich CPR: CDS005311|ALDRICH...33 total

ref: mol2, SDF, SMILES, flexibase
0.94,-0.49,-36.92,0,3,-1, 129.526, 0
mid: mol2, SDF, SMILES, flexibase
0.48,0.61,-15.3,1,3,0, 130.534, 0

Similar to: 39295281,
14982964
 
#15

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
54967471
 
#16

Angene Building Blocks: AGN-PC-0JQA7Y
Anward: ANW-50972
Ark Pharm Building Blocks: AK-23801
Aromalake BB: LS40557
BePharm Building Blocks: B22110...19 total

34414280
 
#17

AK Scientific: W3095
Anward: ANW-49086
Apexmol Building Blocks: AM84106
Ark Pharm Building Blocks: AK-43811
BePharm Building Blocks: B160628...17 total

ref: mol2, SDF, SMILES, flexibase
2.50,3.84,-34.05,0,2,-1, 186.112, 1
lo: mol2, SDF, SMILES, flexibase
2.50,3.07,-7.11,1,2,0, 187.12, 1
33604896
 
#18

Anward: ANW-64226
Ark Pharm Building Blocks: AK-78161, AK-76928
BePharm Building Blocks: B222285, B223179
Enamine Building Blocks: EN300-95187, EN300-82692, EN300-89756
Fluorochem: 079719...17 total

ref: mol2, SDF, SMILES, flexibase
-1.35,1.63,-41.26,2,3,0, 151.112, 1
hi: mol2, SDF, SMILES, flexibase
-1.35,0.38,-43.82,1,3,-1, 150.104, 1
19230132
 
#19

eMolecules: 496706
Scientific Exchange (make on demand): Z-043818
Acros Organics: 11194
AF ChemPharm: CP/9V-054
Alfa-Aesar: A17827...55 total

21984084
 
#20

Active BioPharma: 1979
AK Scientific: H959, R463
Amadis Chemical: A845356, A845355
Anward: ANW-45416
APIChem: AC-1673...56 total

ref: mol2, SDF, SMILES, flexibase
1.92,6.74,-46.91,3,7,1, 428.553, 9
mid: mol2, SDF, SMILES, flexibase
1.92,4.54,-14.78,2,7,0, 427.545, 9
mid: mol2, SDF, SMILES, flexibase
1.92,6.89,-46.27,3,7,1, 428.553, 9

Similar to: 34356236, 34357469, 34357470, 38450143, ... 4 in total.
21984082
 
#21

Active BioPharma: 1979
AK Scientific: H959, R463
Amadis Chemical: A845355, A845356
Anward: ANW-45416
APIChem: AC-3497...55 total

ref: mol2, SDF, SMILES, flexibase
1.92,6.81,-48.71,3,7,1, 428.553, 9
mid: mol2, SDF, SMILES, flexibase
1.92,6.92,-48.11,3,7,1, 428.553, 9
mid: mol2, SDF, SMILES, flexibase
1.92,4.61,-16.16,2,7,0, 427.545, 9

Similar to: 34356236, 34357469, 34357470, 38450143, ... 4 in total.
38197764
 
#22

eMolecules: 901933
Molport: MolPort-020-179-984
AK Scientific: O378
Alinda Building Blocks: ALBB-028535
APIChem: AC-1944...106 total

mid: mol2, SDF, SMILES, flexibase
-0.04,7.05,-52.32,3,7,1, 376.408, 4
mid: mol2, SDF, SMILES, flexibase
-2.78,7.73,-77.5,3,7,1, 376.408, 3
hi: mol2, SDF, SMILES, flexibase
-0.04,7.83,-63.43,1,7,-1, 374.392, 4
14984260
 
#23

ChemMol: 44003542, 30103768
AK Scientific: W7017, 5064AA
Angene Building Blocks: AGN-PC-00O9RJ
Anward: ANW-64369, ANW-49508
Apexmol Building Blocks: AM20061330...55 total

ref: mol2, SDF, SMILES, flexibase
1.17,0.13,-7.38,2,3,0, 134.138, 0
ref: mol2, SDF, SMILES, flexibase
0.21,2.17,-8.45,1,3,0, 134.138, 0
mid: mol2, SDF, SMILES, flexibase
1.17,0.9,-43.35,1,3,-1, 133.13, 0
lo: mol2, SDF, SMILES, flexibase
0.21,2.41,-37.4,2,3,1, 135.146, 0

Similar to: 34573953, 34596312, 44700228, 44712575, 44712592, ... 12 in total.
20030290
 
#24

eMolecules: 27401116
Molport: MolPort-004-398-984
Scientific Exchange (make on demand): F-395863
Anward: ANW-49739
Ark Pharm Building Blocks: AK-68246...18 total

ref: mol2, SDF, SMILES, flexibase
1.79,6.74,-29.19,3,3,1, 216.308, 3
mid: mol2, SDF, SMILES, flexibase
1.79,6.28,-8.91,2,3,0, 215.3, 3
32500622
 
#25

Scientific Exchange Building Blocks: F-332106
AK Scientific: W3670
Aldrich CPR: CDS000723|ALDRICH
Alfa-Aesar: H52425
American Custom Chemicals Corp.: CCH0006438...47 total

ref: mol2, SDF, SMILES, flexibase
1.01,5.48,-114.52,4,2,2, 192.306, 2
hi: mol2, SDF, SMILES, flexibase
1.01,3.26,-43.28,3,2,1, 191.298, 2
lo: mol2, SDF, SMILES, flexibase
1.01,5.16,-32.63,3,2,1, 191.298, 2

Similar to: 34428885, 34544121, 34963061, 34963063, 34963081, ... 8 in total.
32500623
 
#26

Scientific Exchange Building Blocks: F-332106
AK Scientific: W3671
Aldrich CPR: CDS014351|ALDRICH
Alfa-Aesar: H52772
American Custom Chemicals Corp.: CHM0005005...51 total

ref: mol2, SDF, SMILES, flexibase
1.01,5.48,-114.51,4,2,2, 192.306, 2
hi: mol2, SDF, SMILES, flexibase
1.01,3.26,-43.31,3,2,1, 191.298, 2
lo: mol2, SDF, SMILES, flexibase
1.01,5.16,-32.72,3,2,1, 191.298, 2

Similar to: 34428885, 34544121, 34963081, 34963082, 36373244, ... 6 in total.
20300034
 
#27

Acorn PharmaTech: ACN-S001608
American Custom Chemicals Corp.: CHM0163812
Anward: ANW-45469, ANW-50217, ANW-72838
Apexmol Building Blocks: AM20040421
APIChem: AC-1277...30 total

ref: mol2, SDF, SMILES, flexibase
2.24,8.11,-126.36,4,2,2, 240.35, 3
mid: mol2, SDF, SMILES, flexibase
2.24,5.59,-43.57,3,2,1, 239.342, 3
hi: mol2, SDF, SMILES, flexibase
2.24,5.14,-3.73,2,2,0, 238.334, 3

Similar to: 34219725, 34219726, 34219790, 34322899, 34374915, ... 24 in total.
84317012
 
#28

AK Scientific: W8524
Angene Building Blocks: AGN-PC-01KXZO
Anward: ANW-50969
Ark Pharm Building Blocks: AK-49014
BePharm Building Blocks: B209017...17 total

84403368
 
#29

eMolecules: 2795978, 489914
Molport: MolPort-000-002-327, MolPort-002-070-392
Acros Organics: 21056
AK Scientific: W5977, Z2285
Alfa-Aesar: H26930...55 total

21981888
 
#30

Anward: ANW-49577
Ark Pharm Building Blocks: AK-47612
BePharm Building Blocks: B71578
Capot Chemical: 5771
Fluorochem: 078980...9 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.97,-17.33,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,0.72,-7.53,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,1.51,-32.02,0,2,-1, 207.434, 0
84397772
 
#31

Acros Organics: 36567
ACT Chemical BB: ACT05099
AK Scientific: P966
Alfa-Aesar: H65425
Angene Building Blocks: AGN-PC-0VRBX9...34 total

84403372
 
#32

eMolecules: 2647427
AK Scientific: U732
Aldrich CPR: PH000864|ALDRICH
Angene Building Blocks: AGN-PC-0RB1J4
Anward: ANW-50170...26 total

18090886
 
#33

eMolecules: 4447607
Molport: MolPort-002-568-548
AK Scientific: W4591
Anward: ANW-50181
Ark Pharm Building Blocks: AK-39907...15 total

ref: mol2, SDF, SMILES, flexibase
1.31,4.18,-7.77,0,4,0, 265.696, 3
mid: mol2, SDF, SMILES, flexibase
1.31,3.54,-8.62,0,4,0, 265.696, 3
16678690
 
#34

Acorn PharmaTech: ACN-000503
Anward: ANW-50662
Ark Pharm Building Blocks: AK-21917
BePharm Building Blocks: B159511
Fluorochem: 078299...10 total

ref: mol2, SDF, SMILES, flexibase
0.90,2.13,-6.88,1,3,0, 178.113, 1
mid: mol2, SDF, SMILES, flexibase
1.36,1.16,-35.51,0,3,-1, 177.105, 1
lo: mol2, SDF, SMILES, flexibase
0.90,1.58,-16.49,1,3,0, 178.113, 1
38338234
 
#35

Acorn PharmaTech: ACN-S002085
Anward: ANW-75368, ANW-18971
APIChem: AC-1189
Ark Pharm Building Blocks: AK-53357, AK-39351
BePharm Building Blocks: B9703...26 total

ref: mol2, SDF, SMILES, flexibase
-0.08,1.39,-104.11,4,2,2, 116.208, 1
mid: mol2, SDF, SMILES, flexibase
-0.08,0.15,-35.27,3,2,1, 115.2, 1
lo: mol2, SDF, SMILES, flexibase
-0.08,0.04,-35.21,3,2,1, 115.2, 1
38338233
 
#36

Acorn PharmaTech: ACN-S002085
Anward: ANW-75368, ANW-18971
APIChem: AC-1189
Ark Pharm Building Blocks: AK-53357, AK-39351
BePharm Building Blocks: B9703...26 total

ref: mol2, SDF, SMILES, flexibase
-0.08,1.39,-104.07,4,2,2, 116.208, 1
mid: mol2, SDF, SMILES, flexibase
-0.08,0.12,-36.88,3,2,1, 115.2, 1
lo: mol2, SDF, SMILES, flexibase
-0.08,0.04,-34.72,3,2,1, 115.2, 1
84397771
 
#37

Aldrich CPR: VBP00135|ALDRICH
Angene Building Blocks: AGN-PC-00JLUU
Anward: ANW-54160
Apexmol Building Blocks: AM20090650
Ark Pharm Building Blocks: AK-38398...26 total

84597550
 
#38

eMolecules: 1012581, 514116
Molport: MolPort-001-768-421
A&J Pharmtech: AJ-02987
Acros Organics: AC13366, 13366
ACT Chemical BB: ACT02175...117 total

35635863
 
#39

Anward: ANW-52264
Ark Pharm Building Blocks: AK-21739
BePharm Building Blocks: B159498
Fluorochem: 077773
Matrix Scientific: 071895...8 total

ref: mol2, SDF, SMILES, flexibase
5.10,14.52,-62.52,1,5,1, 424.471, 6
mid: mol2, SDF, SMILES, flexibase
5.10,12.26,-9.58,0,5,0, 423.463, 6
mid: mol2, SDF, SMILES, flexibase
5.10,13.87,-55.14,1,5,1, 424.471, 6
19536685
 
#40

eMolecules: 2013456
Molport: MolPort-002-140-932
Anward: ANW-52253
Ark Pharm Building Blocks: AK-21728
BePharm Building Blocks: B16916...14 total

ref: mol2, SDF, SMILES, flexibase
2.99,10,-52.97,1,5,1, 312.393, 5
mid: mol2, SDF, SMILES, flexibase
2.99,10.06,-47.08,1,5,1, 312.393, 5
mid: mol2, SDF, SMILES, flexibase
2.99,7.68,-7.33,0,5,0, 311.385, 5

Similar to: 25921534, 34347783,
39934065
 
#41

Aldrich CPR: CDS009237|ALDRICH
Anward: ANW-51635
Ark Pharm Building Blocks: AK-21703
BePharm Building Blocks: B77471
Fluorochem: 077758...12 total

ref: mol2, SDF, SMILES, flexibase
2.13,6,-129.26,4,2,2, 214.312, 1
mid: mol2, SDF, SMILES, flexibase
2.13,4.71,-42.71,3,2,1, 213.304, 1
hi: mol2, SDF, SMILES, flexibase
2.13,3.36,-3.77,2,2,0, 212.296, 1
hi: mol2, SDF, SMILES, flexibase
2.13,4.66,-40.05,3,2,1, 213.304, 1
39934064
 
#42

Aldrich CPR: CDS009237|ALDRICH
Anward: ANW-51635
Ark Pharm Building Blocks: AK-21703
BePharm Building Blocks: B77471
Fluorochem: 077758...12 total

ref: mol2, SDF, SMILES, flexibase
2.13,5.96,-129.41,4,2,2, 214.312, 1
mid: mol2, SDF, SMILES, flexibase
2.13,4.97,-41.22,3,2,1, 213.304, 1
hi: mol2, SDF, SMILES, flexibase
2.13,3.62,-3.58,2,2,0, 212.296, 1
hi: mol2, SDF, SMILES, flexibase
2.13,4.63,-38.49,3,2,1, 213.304, 1
39934063
 
#43

Aldrich CPR: CDS006271|ALDRICH
Anward: ANW-52072
Ark Pharm Building Blocks: AK-21702
BePharm Building Blocks: B159495
Fluorochem: 077757...10 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.54,-116.24,4,4,2, 224.304, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.18,-35.4,3,4,1, 223.296, 3
hi: mol2, SDF, SMILES, flexibase
1.02,-0.11,-4.85,2,4,0, 222.288, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.25,-38.64,3,4,1, 223.296, 3

Similar to: 43905930, 43905934, 43908738, 43908742, ... 4 in total.
39934062
 
#44

Aldrich CPR: CDS006271|ALDRICH
Anward: ANW-52072
Ark Pharm Building Blocks: AK-21702
BePharm Building Blocks: B159495
Fluorochem: 077757...10 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.57,-116.33,4,4,2, 224.304, 3
hi: mol2, SDF, SMILES, flexibase
1.02,0.22,-5.21,2,4,0, 222.288, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.22,-34.43,3,4,1, 223.296, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.57,-37.24,3,4,1, 223.296, 3

Similar to: 43905930, 43905934, 43908738, 43908742, ... 4 in total.
34040492
 
#45

American Custom Chemicals Corp.: CCH0003359, CHM0118167
Anward: ANW-73370
APIChem: AC-24272
Ark Pharm Building Blocks: AK-29283, AK-77754, AK-59729
BePharm Building Blocks: B33740...18 total

ref: mol2, SDF, SMILES, flexibase
2.39,7.97,-110.02,3,2,2, 220.36, 3
mid: mol2, SDF, SMILES, flexibase
2.39,6.67,-32.17,2,2,1, 219.352, 3

Similar to: 34040493, 37078444, 37078445,
19872890
 
#46

Acorn PharmaTech: ACN-S003550
AK Scientific: X0216
Aldrich CPR: L510610|ALDRICH
Anward: ANW-26255
Apexmol Building Blocks: AM61442...21 total

ref: mol2, SDF, SMILES, flexibase
2.41,4.83,-39.11,0,4,-1, 216.998, 1
lo: mol2, SDF, SMILES, flexibase
2.41,3.8,-10.66,1,4,0, 218.006, 1
4218567
 
#47

ChemMol: 44004457, 83600338, 30105180
eMolecules: 2868857
Molport: MolPort-002-469-914
Acorn PharmaTech: ACN-S003370
AK Scientific: Q021...61 total

ref: mol2, SDF, SMILES, flexibase
-0.75,1.72,-29.42,0,4,-1, 93.069, 0
ref: mol2, SDF, SMILES, flexibase
-0.75,1.74,-29.33,0,4,-1, 93.069, 0
ref: mol2, SDF, SMILES, flexibase
-0.75,1.83,-29,0,4,-1, 93.069, 0
mid: mol2, SDF, SMILES, flexibase
-0.75,1.88,-12.04,1,4,0, 94.077, 0
20981526
 
#48

Aldrich CPR: CDS008275|ALDRICH
Alfa-Aesar: H35474
Anward: ANW-50275
Ark Pharm Building Blocks: AK-26680
BePharm Building Blocks: B104285...16 total

ref: mol2, SDF, SMILES, flexibase
1.47,2.04,-39.94,0,3,-1, 145.141, 0
mid: mol2, SDF, SMILES, flexibase
1.47,1.19,-8.97,1,3,0, 146.149, 0

Similar to: 39134305, 39134315, 39248924,
34327866
 
#49

AK Scientific: W6530
Anward: ANW-30852
Apexmol Building Blocks: AM20100217
Ark Pharm Building Blocks: AK-26032
BePharm Building Blocks: B21024...21 total

ref: mol2, SDF, SMILES, flexibase
0.94,0.26,-31.84,0,3,-1, 129.526, 0
mid: mol2, SDF, SMILES, flexibase
0.94,-0.51,-6.34,1,3,0, 130.534, 0

Similar to: 21298676,
39934051
 
#50

Anward: ANW-52076
Ark Pharm Building Blocks: AK-16329
BePharm Building Blocks: B159443
Fluorochem: 076594
Matrix Scientific: 071699...9 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.86,-127.42,4,2,2, 251.132, 1
hi: mol2, SDF, SMILES, flexibase
2.35,2.21,-2.22,2,2,0, 249.116, 1
hi: mol2, SDF, SMILES, flexibase
2.35,3.56,-42.23,3,2,1, 250.124, 1
39934050
 
#51

Anward: ANW-52076
Ark Pharm Building Blocks: AK-16329
BePharm Building Blocks: B159443
Fluorochem: 076594
Matrix Scientific: 071699...9 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.84,-127.48,4,2,2, 251.132, 1
hi: mol2, SDF, SMILES, flexibase
2.35,2.48,-1.97,2,2,0, 249.116, 1
hi: mol2, SDF, SMILES, flexibase
2.35,3.84,-40.52,3,2,1, 250.124, 1
39934049
 
#52

Anward: ANW-52073
Ark Pharm Building Blocks: AK-16328
BePharm Building Blocks: B159442
Fluorochem: 076593
Matrix Scientific: 071698...8 total

ref: mol2, SDF, SMILES, flexibase
2.26,4.82,-119.74,4,2,2, 233.142, 1
hi: mol2, SDF, SMILES, flexibase
2.26,2.16,-1.97,2,2,0, 231.126, 1
hi: mol2, SDF, SMILES, flexibase
2.26,3.51,-38.75,3,2,1, 232.134, 1
39934048
 
#53

AK Scientific: W9416
Anward: ANW-52073
Ark Pharm Building Blocks: AK-16328
BePharm Building Blocks: B159442
Chembo Pharma: KB-220581...19 total

ref: mol2, SDF, SMILES, flexibase
2.26,4.8,-119.78,4,2,2, 233.142, 1
hi: mol2, SDF, SMILES, flexibase
2.26,2.44,-2.07,2,2,0, 231.126, 1
hi: mol2, SDF, SMILES, flexibase
2.26,3.81,-37.2,3,2,1, 232.134, 1
39934047
 
#54

AK Scientific: W9415
Aldrich CPR: CDS009478|ALDRICH
Anward: ANW-52032
Ark Pharm Building Blocks: AK-16327
BePharm Building Blocks: B159441...12 total

ref: mol2, SDF, SMILES, flexibase
2.19,5.37,-130.71,4,3,2, 244.338, 2
hi: mol2, SDF, SMILES, flexibase
2.19,2.73,-5.22,2,3,0, 242.322, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.02,-42.32,3,3,1, 243.33, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.08,-45.09,3,3,1, 243.33, 2
39934046
 
#55

AK Scientific: W9415
Aldrich CPR: CDS009478|ALDRICH
Anward: ANW-52032
Ark Pharm Building Blocks: AK-16327
BePharm Building Blocks: B159441...12 total

ref: mol2, SDF, SMILES, flexibase
2.19,5.37,-130.73,4,3,2, 244.338, 2
hi: mol2, SDF, SMILES, flexibase
2.19,2.93,-4.8,2,3,0, 242.322, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.03,-40.56,3,3,1, 243.33, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.28,-43.72,3,3,1, 243.33, 2
39706459
 
#56

AK Scientific: W8877
Aldrich CPR: CDS006615|ALDRICH
Anward: ANW-51339
Ark Pharm Building Blocks: AK-16326
BePharm Building Blocks: B90815...13 total

ref: mol2, SDF, SMILES, flexibase
0.92,3.79,-123.18,4,4,2, 249.358, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.44,-38.72,3,4,1, 248.35, 2
hi: mol2, SDF, SMILES, flexibase
0.92,1.13,-4.14,2,4,0, 247.342, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.5,-41.46,3,4,1, 248.35, 2

Similar to: 45316876, 48779354, 48779356,
39706458
 
#57

AK Scientific: W8877
Aldrich CPR: CDS006615|ALDRICH
Anward: ANW-51339
Ark Pharm Building Blocks: AK-16326
BePharm Building Blocks: B90815...13 total

ref: mol2, SDF, SMILES, flexibase
0.92,3.79,-123.18,4,4,2, 249.358, 2
hi: mol2, SDF, SMILES, flexibase
0.92,1.33,-3.95,2,4,0, 247.342, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.45,-37.32,3,4,1, 248.35, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.68,-39.78,3,4,1, 248.35, 2

Similar to: 45316876, 48779354, 48779356,
39564224
 
#58

Aldrich CPR: CDS006259|ALDRICH
Alfa-Aesar: H26820
Anward: ANW-51825
Apexmol Building Blocks: AM20050073
Ark Pharm Building Blocks: AK-16325...17 total

ref: mol2, SDF, SMILES, flexibase
2.77,7.23,-126.41,4,2,2, 240.35, 2
hi: mol2, SDF, SMILES, flexibase
2.77,4.57,-3.82,2,2,0, 238.334, 2
hi: mol2, SDF, SMILES, flexibase
2.77,5.88,-39.93,3,2,1, 239.342, 2
hi: mol2, SDF, SMILES, flexibase
2.77,5.94,-42.37,3,2,1, 239.342, 2

Similar to: 32499141, 32499142, 32497039, 32497040, 38545468, ... 6 in total.
39564223
 
#59

Aldrich CPR: CDS006259|ALDRICH
Alfa-Aesar: H26820
Anward: ANW-51825
Apexmol Building Blocks: AM20050073
Ark Pharm Building Blocks: AK-16325...17 total

ref: mol2, SDF, SMILES, flexibase
2.77,7.23,-126.4,4,2,2, 240.35, 2
hi: mol2, SDF, SMILES, flexibase
2.77,4.77,-3.5,2,2,0, 238.334, 2
hi: mol2, SDF, SMILES, flexibase
2.77,5.89,-38.4,3,2,1, 239.342, 2
hi: mol2, SDF, SMILES, flexibase
2.77,6.12,-40.76,3,2,1, 239.342, 2

Similar to: 32499141, 32499142, 32497039, 32497040, 38545468, ... 6 in total.
39934043
 
#60

AK Scientific: W9356
Anward: ANW-45594
Ark Pharm Building Blocks: AK-16320
BePharm Building Blocks: B159440
Chembo Pharma: KB-221508...16 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.42,-122.16,4,4,2, 224.304, 3
hi: mol2, SDF, SMILES, flexibase
1.02,-0.23,-4.85,2,4,0, 222.288, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.07,-38.17,3,4,1, 223.296, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.13,-41.89,3,4,1, 223.296, 3
39934042
 
#61

AK Scientific: W9356
Anward: ANW-45594
Ark Pharm Building Blocks: AK-16320
BePharm Building Blocks: B159440
Combi-Blocks: QA-8721...14 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.42,-122.15,4,4,2, 224.304, 3
hi: mol2, SDF, SMILES, flexibase
1.02,-0.03,-4.8,2,4,0, 222.288, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.08,-36.54,3,4,1, 223.296, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.31,-40.57,3,4,1, 223.296, 3
39564232
 
#62

eMolecules: 4352406
Molport: MolPort-001-756-542
Acros Organics: MAY00168
AK Scientific: W9319
Alfa-Aesar: H26453...18 total

ref: mol2, SDF, SMILES, flexibase
2.16,6.07,-126.96,4,2,2, 214.312, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.73,-39.69,3,2,1, 213.304, 1
hi: mol2, SDF, SMILES, flexibase
2.16,3.44,-3.76,2,2,0, 212.296, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.79,-42.32,3,2,1, 213.304, 1

Similar to: 21798977, 21798981, 21811014, 37082214, 37082215, ... 12 in total.
39564231
 
#63

eMolecules: 4352406
Molport: MolPort-001-756-542
Acros Organics: MAY00168
AK Scientific: W9319
Alfa-Aesar: H26453...18 total

ref: mol2, SDF, SMILES, flexibase
2.16,6.07,-126.93,4,2,2, 214.312, 1
hi: mol2, SDF, SMILES, flexibase
2.16,3.64,-3.35,2,2,0, 212.296, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.74,-38.06,3,2,1, 213.304, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.98,-40.85,3,2,1, 213.304, 1

Similar to: 39564232, 21798977, 21798981, 21811014, 37081803, ... 14 in total.
39363558
 
#64

AK Scientific: W4004
Aldrich CPR: CDS009461|ALDRICH
Anward: ANW-52037
Ark Pharm Building Blocks: AK-16316
BePharm Building Blocks: B62645...15 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.82,-131.57,4,2,2, 232.249, 2
hi: mol2, SDF, SMILES, flexibase
1.87,3.48,-43.28,3,2,1, 231.241, 2
hi: mol2, SDF, SMILES, flexibase
1.87,2.17,-3.04,2,2,0, 230.233, 2
hi: mol2, SDF, SMILES, flexibase
1.87,3.53,-44.71,3,2,1, 231.241, 2

Similar to: 39363557,
39363557
 
#65

AK Scientific: W4004
Aldrich CPR: CDS009461|ALDRICH
Anward: ANW-52037
Ark Pharm Building Blocks: AK-16316
BePharm Building Blocks: B62645...15 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.82,-131.58,4,2,2, 232.249, 2
hi: mol2, SDF, SMILES, flexibase
1.87,3.49,-41.55,3,2,1, 231.241, 2
hi: mol2, SDF, SMILES, flexibase
1.87,2.36,-2.53,2,2,0, 230.233, 2
hi: mol2, SDF, SMILES, flexibase
1.87,3.72,-43.1,3,2,1, 231.241, 2

Similar to: 39363558,
84317011
 
#66

Molport: MolPort-020-097-759
Acros Organics: 11666
AK Scientific: X7143
Aldrich CPR: CDS004505|ALDRICH
Alfa-Aesar: B23150...64 total

lo: mol2, SDF, SMILES, flexibase
0.40,1.43,-106.91,4,2,2, 116.208, 0
33358729
 
#67

AK Scientific: W7290
Anward: ANW-49702
Apexmol Building Blocks: AM20080639
APIChem: AC-22652
Ark Pharm Building Blocks: AK-24861...16 total

ref: mol2, SDF, SMILES, flexibase
2.26,3.49,-36.4,0,4,-1, 172.547, 1
mid: mol2, SDF, SMILES, flexibase
2.26,2.7,-14.44,1,4,0, 173.555, 1
17354803
 
#68

Scientific Exchange (make on demand): Z-077323
Chemstep: 14839
Fluorochem: 076019
Labotest: LT00724109
Molport BB: MolPort-004-755-274...13 total

ref: mol2, SDF, SMILES, flexibase
0.95,0.74,-6.59,3,3,0, 150.181, 1
390981
 
#69

AKOS: AKOS003632419
Fluorochem: 076016
Molport BB: MolPort-003-909-325
Oakwood Chemical: 076016
TimTec: ST50545489...10 total

ref: mol2, SDF, SMILES, flexibase
4.77,6.63,-0.94,0,0,0, 304.796, 0
85667139
 
#70

Fluorochem: 076010
Oakwood Chemical: 076010
PubChem: 56965717
ref: mol2, SDF, SMILES, flexibase
2.38,6.74,-40.2,0,5,-1, 252.099, 3
17146598
 
#71

eMolecules: 5813742
Molport: MolPort-002-908-695
American Custom Chemicals Corp.: HCH0114598
Fluorochem: 076003
Maybridge: KM09168...14 total

ref: mol2, SDF, SMILES, flexibase
2.53,3.55,-6.72,1,2,0, 169.611, 1
57324207
 
#72

Fluorochem: 076002
Oakwood Chemical: 076002
Enamine BB Make on Demand: BBV-36750031
UORSY BB Make-on-demand: BBV-36750031
ref: mol2, SDF, SMILES, flexibase
2.16,3.07,-6.33,1,2,0, 171.146, 1
72203295
 
#73

Molport: MolPort-021-795-954
Fluorochem: 075998
Molport BB: MolPort-021-795-954
Oakwood Chemical: 075998
Zylexa Pharma BB: ZP-BB-MP001109...9 total

ref: mol2, SDF, SMILES, flexibase
2.16,3,-4.5,1,2,0, 171.146, 1
57324144
 
#74

Fluorochem: 075996
Oakwood Chemical: 075996
Enamine BB Make on Demand: BBV-36749974
UORSY BB Make-on-demand: BBV-36749974
ref: mol2, SDF, SMILES, flexibase
2.16,3.07,-7.53,1,2,0, 171.146, 1
38324931
 
#75

Fluorochem: 075943
Oakwood Chemical: 075943
PubChem: 56630015, 21919344, 22761219, 11171212
SureChEMBL: SCHEMBL11591334, SCHEMBL3144886
Enamine BB Make on Demand: BBV-36750111...10 total

ref: mol2, SDF, SMILES, flexibase
2.56,3.37,-6.19,1,2,0, 169.611, 1
79391978
 
#76

Apexmol Building Blocks: AM91936
Chembo Pharma: KB-14539
Fluorochem: 081143
Oakwood Chemical: 081143
ChemDiv BB (Depleted): BB60-6190...9 total

ref: mol2, SDF, SMILES, flexibase
-0.37,1.67,-114.42,4,3,2, 160.261, 4
mid: mol2, SDF, SMILES, flexibase
-0.37,-0.8,-42.87,3,3,1, 159.253, 4
mid: mol2, SDF, SMILES, flexibase
-0.37,1.28,-33.06,3,3,1, 159.253, 4
hi: mol2, SDF, SMILES, flexibase
-0.37,-1.19,-2.49,2,3,0, 158.245, 4
79391976
 
#77

Apexmol Building Blocks: AM91936
Chembo Pharma: KB-14539
Fluorochem: 081143
Oakwood Chemical: 081143
ChemDiv BB (Depleted): BB60-6190...9 total

ref: mol2, SDF, SMILES, flexibase
-0.37,1.66,-114.51,4,3,2, 160.261, 4
mid: mol2, SDF, SMILES, flexibase
-0.37,-0.81,-42.68,3,3,1, 159.253, 4
mid: mol2, SDF, SMILES, flexibase
-0.37,1.28,-33.14,3,3,1, 159.253, 4
hi: mol2, SDF, SMILES, flexibase
-0.37,-1.2,-2.34,2,3,0, 158.245, 4
79391974
 
#78

Apexmol Building Blocks: AM92377
Chembo Pharma: KB-14143
Fluorochem: 081141
Oakwood Chemical: 081141
ChemDiv BB (Depleted): BB60-6188...9 total

ref: mol2, SDF, SMILES, flexibase
-0.48,-0.31,-42.32,3,3,1, 159.253, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,1.44,-28.58,3,3,1, 159.253, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,1.82,-110.02,4,3,2, 160.261, 4
79391972
 
#79

Apexmol Building Blocks: AM92377, AM101456
Chembo Pharma: KB-14143, KB-13430
Fluorochem: 081141
Oakwood Chemical: 081141
ChemDiv BB (Depleted): BB60-6188...11 total

ref: mol2, SDF, SMILES, flexibase
-0.48,-0.36,-43.06,3,3,1, 159.253, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,1.76,-109.39,4,3,2, 160.261, 4
mid: mol2, SDF, SMILES, flexibase
-0.48,1.37,-28.23,3,3,1, 159.253, 4
79391970
 
#80

Apexmol Building Blocks: AM91862
Chembo Pharma: KB-13438
Fluorochem: 081140
Oakwood Chemical: 081140
ChemDiv BB (Depleted): BB60-6187...9 total

ref: mol2, SDF, SMILES, flexibase
-0.75,-1.41,-43.41,3,3,1, 145.226, 3
lo: mol2, SDF, SMILES, flexibase
-0.75,0.94,-113.16,4,3,2, 146.234, 3
79391965
 
#81

Apexmol Building Blocks: AM96284
Chembo Pharma: KB-13418
Fluorochem: 081139
Oakwood Chemical: 081139
PubChem: 69909229...8 total

ref: mol2, SDF, SMILES, flexibase
-0.75,-1.44,-42.35,3,3,1, 145.226, 3
lo: mol2, SDF, SMILES, flexibase
-0.75,0.9,-112.52,4,3,2, 146.234, 3
79391962
 
#82

Apexmol Building Blocks: AM93231
Chembo Pharma: KB-15015
Fluorochem: 081138
Oakwood Chemical: 081138
ChemDiv BB (Depleted): BB60-9519...7 total

ref: mol2, SDF, SMILES, flexibase
0.37,0.51,-34.29,3,3,1, 174.264, 4
70533859
 
#83

Apexmol Building Blocks: AM91982
Chembo Pharma: KB-15016
Fluorochem: 081137
Oakwood Chemical: 081137
ChemDiv BB (Depleted): BB60-4176...8 total

ref: mol2, SDF, SMILES, flexibase
0.47,1.82,-31.91,2,3,1, 174.264, 4
79391959
 
#84

Apexmol Building Blocks: AM92567
Chembo Pharma: KB-14536
Fluorochem: 081136
Oakwood Chemical: 081136
ChemDiv BB (Depleted): BB60-4175...8 total

ref: mol2, SDF, SMILES, flexibase
0.47,1.8,-32.52,2,3,1, 174.264, 4
79391958
 
#85

Apexmol Building Blocks: AM92567
Chembo Pharma: KB-14536
Fluorochem: 081136
Oakwood Chemical: 081136
ChemDiv BB (Depleted): BB60-4175...8 total

ref: mol2, SDF, SMILES, flexibase
0.47,1.79,-32.64,2,3,1, 174.264, 4
79391957
 
#86

Apexmol Building Blocks: AM92371
Chembo Pharma: KB-14140
Fluorochem: 081135
Oakwood Chemical: 081135
ChemDiv BB (Depleted): BB60-4174...7 total

ref: mol2, SDF, SMILES, flexibase
0.59,1.81,-28.93,2,3,1, 174.264, 4
79391954
 
#87

Apexmol Building Blocks: AM92371
Chembo Pharma: KB-14140
Fluorochem: 081135
Oakwood Chemical: 081135
ChemDiv BB (Depleted): BB60-4174...7 total

ref: mol2, SDF, SMILES, flexibase
0.59,2.13,-26.95,2,3,1, 174.264, 4
35118737
 
#88

Apexmol Building Blocks: AM90713
Chembo Pharma: KB-15041
Fluorochem: 081134
Oakwood Chemical: 081134
ChemDiv BB (Depleted): BB60-4173...9 total

ref: mol2, SDF, SMILES, flexibase
-0.65,1.12,-32.85,2,3,1, 160.237, 3
79391953
 
#89

Apexmol Building Blocks: AM94590
Chembo Pharma: KB-13435, KB-14550
Fluorochem: 081131
Oakwood Chemical: 081131
ChemDiv BB (Depleted): BB60-4171...11 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.12,-30.93,2,3,1, 160.237, 3
hi: mol2, SDF, SMILES, flexibase
0.08,-1.18,-3.91,1,3,0, 159.229, 3
79391951
 
#90

Apexmol Building Blocks: AM94590
Chembo Pharma: KB-13415, KB-14550
Fluorochem: 081131
Oakwood Chemical: 081131
ChemDiv BB (Depleted): BB60-4171...11 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.11,-31.04,2,3,1, 160.237, 3
hi: mol2, SDF, SMILES, flexibase
0.08,-1.21,-4.22,1,3,0, 159.229, 3
79391949
 
#91

Apexmol Building Blocks: AM94867
Chembo Pharma: KB-14538
Fluorochem: 081130
Oakwood Chemical: 081130
ChemDiv BB (Depleted): BB60-6186...7 total

ref: mol2, SDF, SMILES, flexibase
0.20,1.3,-32.59,2,3,1, 160.237, 4
79391948
 
#92

Apexmol Building Blocks: AM94867
Chembo Pharma: KB-14538
Fluorochem: 081130
Oakwood Chemical: 081130
ChemDiv BB (Depleted): BB60-6186...7 total

ref: mol2, SDF, SMILES, flexibase
0.20,1.31,-32.55,2,3,1, 160.237, 4
79391946
 
#93

Apexmol Building Blocks: AM92845
Chembo Pharma: KB-14142
Fluorochem: 081128
Oakwood Chemical: 081128
ChemDiv BB (Depleted): BB60-6184...10 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.22,-28.51,2,3,1, 160.237, 4
79391944
 
#94

Apexmol Building Blocks: AM100743, AM92845
Chembo Pharma: KB-13429, KB-14142
Fluorochem: 081128
Oakwood Chemical: 081128
ChemDiv BB (Depleted): BB60-6184...14 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.14,-28.03,2,3,1, 160.237, 4
77869363
 
#95

Apexmol Building Blocks: AM91897
Chembo Pharma: KB-14556, KB-13437
Fluorochem: 081125
Oakwood Chemical: 081125
ChemDiv BB (Depleted): BB60-6181...12 total

ref: mol2, SDF, SMILES, flexibase
-0.19,0.35,-31.27,2,3,1, 146.21, 3
hi: mol2, SDF, SMILES, flexibase
-0.19,-2.09,-5.17,1,3,0, 145.202, 3
77869360
 
#96

Apexmol Building Blocks: AM91896
Chembo Pharma: KB-14556, KB-13417
Fluorochem: 081125
Oakwood Chemical: 081125
ChemDiv BB (Depleted): BB60-6181...12 total

ref: mol2, SDF, SMILES, flexibase
-0.19,0.31,-30.88,2,3,1, 146.21, 3
hi: mol2, SDF, SMILES, flexibase
-0.19,-2.14,-4.3,1,3,0, 145.202, 3
79391940
 
#97

Apexmol Building Blocks: AM95812
Chembo Pharma: KB-04508
Fluorochem: 081124
Oakwood Chemical: 081124
ChemDiv BB (Depleted): BB60-9517...6 total

ref: mol2, SDF, SMILES, flexibase
1.06,3.7,-40.79,4,3,1, 278.214, 3
hi: mol2, SDF, SMILES, flexibase
1.06,2.89,-5.07,3,3,0, 277.206, 3
79391938
 
#98

Apexmol Building Blocks: AM96430
Chembo Pharma: KB-03874
Fluorochem: 081123
Oakwood Chemical: 081123
ChemDiv BB (Depleted): BB60-4170...6 total

ref: mol2, SDF, SMILES, flexibase
0.78,3.65,-43.18,3,3,1, 264.187, 2
hi: mol2, SDF, SMILES, flexibase
0.78,3.43,-7.94,2,3,0, 263.179, 2
79391937
 
#99

Apexmol Building Blocks: AM97461
Chembo Pharma: KB-03808
Fluorochem: 081120
Oakwood Chemical: 081120
ChemDiv BB (Depleted): BB60-4167...6 total

ref: mol2, SDF, SMILES, flexibase
0.78,3.62,-43.89,3,3,1, 264.187, 2
hi: mol2, SDF, SMILES, flexibase
0.78,3.39,-7.79,2,3,0, 263.179, 2
79391935
 
#100

Apexmol Building Blocks: AM97461
Chembo Pharma: KB-03827
Fluorochem: 081120
Oakwood Chemical: 081120
ChemDiv BB (Depleted): BB60-4167...6 total

ref: mol2, SDF, SMILES, flexibase
0.78,3.61,-43.64,3,3,1, 264.187, 2
hi: mol2, SDF, SMILES, flexibase
0.78,3.18,-7.74,2,3,0, 263.179, 2

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 = 150 ) limit 0,100

Smiles were