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51943636
 
#1

Apexmol Building Blocks: AM84458
BePharm Building Blocks: B18487
StruChem BB: SC-20410
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120...10 total

ref: mol2, SDF, SMILES, flexibase
-1.02,1.09,-50.91,8,11,0, 472.498, 3
mid: mol2, SDF, SMILES, flexibase
-1.02,-1.08,-49.75,7,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.02,2,-126.14,7,11,-1, 471.49, 3
hi: mol2, SDF, SMILES, flexibase
-1.02,0.91,-233.58,5,11,-3, 469.474, 3
hi: mol2, SDF, SMILES, flexibase
-1.02,-0.07,-134.39,6,11,-2, 470.482, 3
51943633
 
#2

Apexmol Building Blocks: AM84458
BePharm Building Blocks: B18487
StruChem BB: SC-20410
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120...11 total

ref: mol2, SDF, SMILES, flexibase
-1.02,1.22,-44.1,8,11,0, 472.498, 3
mid: mol2, SDF, SMILES, flexibase
-1.02,1.03,-53.07,7,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.02,-0.02,-84.22,7,11,-1, 471.49, 3
hi: mol2, SDF, SMILES, flexibase
-1.02,3.03,-232.42,5,11,-3, 469.474, 3
hi: mol2, SDF, SMILES, flexibase
-1.02,2.04,-134.98,6,11,-2, 470.482, 3
51943632
 
#3

Apexmol Building Blocks: AM84458
BePharm Building Blocks: B18487
StruChem BB: SC-20410
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120...10 total

ref: mol2, SDF, SMILES, flexibase
-1.02,0.98,-51.74,8,11,0, 472.498, 3
mid: mol2, SDF, SMILES, flexibase
-1.02,-1.37,-49.8,7,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.02,2.4,-124.95,7,11,-1, 471.49, 3
hi: mol2, SDF, SMILES, flexibase
-1.02,1.4,-234.74,5,11,-3, 469.474, 3
hi: mol2, SDF, SMILES, flexibase
-1.02,0.43,-134.68,6,11,-2, 470.482, 3
95079338
 
#4

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

86040405
 
#5

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

89222928
 
#6

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

hi: mol2, SDF, SMILES, flexibase
1.85,5.76,-19.81,1,4,0, 212.245, 5
89223846
 
#7

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

hi: mol2, SDF, SMILES, flexibase
2.96,7.04,-31.07,3,3,1, 292.406, 2
33505855
 
#8

Ark Pharm Building Blocks: AK165498
StruChem BB: SC-19733
Lab Seeker BB (Depleted): SC-19733
Enamine BB Make on Demand: BBV-36987503
UORSY BB Make-on-demand: BBV-36987503...5 total

ref: mol2, SDF, SMILES, flexibase
0.83,3.87,-85.43,4,3,2, 159.277, 5
ref: mol2, SDF, SMILES, flexibase
0.96,3.81,-84.7,4,3,2, 159.277, 6
hi: mol2, SDF, SMILES, flexibase
0.83,1.1,-29.12,3,3,1, 158.269, 5
hi: mol2, SDF, SMILES, flexibase
0.83,1.39,-29.36,3,3,1, 158.269, 5
96126003
 
#9

Lab Seeker Building Blocks: SC-45635
StruChem BB: SC-45635
ref: mol2, SDF, SMILES, flexibase
1.06,0.98,-41.93,5,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.06,1.74,-57.59,6,4,0, 208.309, 2
96126001
 
#10

Lab Seeker Building Blocks: SC-45635
StruChem BB: SC-45635
ref: mol2, SDF, SMILES, flexibase
1.06,1.12,-44.77,5,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.06,1.86,-64.12,6,4,0, 208.309, 2
96125999
 
#11

Lab Seeker Building Blocks: SC-45635
StruChem BB: SC-45635
ref: mol2, SDF, SMILES, flexibase
1.06,1.08,-44.8,5,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.06,1.81,-59.12,6,4,0, 208.309, 2
96125998
 
#12

Lab Seeker Building Blocks: SC-45635
StruChem BB: SC-45635
ref: mol2, SDF, SMILES, flexibase
1.06,1.02,-44.44,5,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.06,1.77,-57.99,6,4,0, 208.309, 2
2546169
 
#13

Lab Seeker Building Blocks: SC-45613
StruChem BB: SC-45613
ref: mol2, SDF, SMILES, flexibase
3.05,6.3,-5.88,3,2,0, 196.253, 1
lo: mol2, SDF, SMILES, flexibase
3.05,6.09,-49.79,4,2,1, 197.261, 1
95192363
 
#14

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

95192362
 
#15

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

85224298
 
#16

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

ref: mol2, SDF, SMILES, flexibase
1.22,0.35,-5.83,2,3,0, 152.128, 0
mid: mol2, SDF, SMILES, flexibase
1.22,0.43,-8.53,2,3,0, 152.128, 0
hi: mol2, SDF, SMILES, flexibase
1.22,1.1,-37.83,1,3,-1, 151.12, 0
hi: mol2, SDF, SMILES, flexibase
1.22,1.19,-48.98,1,3,-1, 151.12, 0
59299461
 
#17

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

53682357
 
#18

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

90393818
 
#19

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

39057951
 
#20

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

ref: mol2, SDF, SMILES, flexibase
0.82,2.88,-43.74,3,3,1, 158.221, 3
mid: mol2, SDF, SMILES, flexibase
0.82,2.66,-3.39,2,3,0, 157.213, 3
18037976
 
#21

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

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

Similar to: 34597087, 15977263,
72202815
 
#22

AK Scientific: W9724
Anward: ANW-49132
Apexmol Building Blocks: AM807168
Ark Pharm Building Blocks: AK-48862, AK158286
BePharm Building Blocks: B224977...25 total

ref: mol2, SDF, SMILES, flexibase
0.86,0.29,-5.6,3,3,0, 161.99, 0
ref: mol2, SDF, SMILES, flexibase
0.41,0.83,-32.98,3,3,1, 162.998, 0
mid: mol2, SDF, SMILES, flexibase
0.86,0.32,-4,3,3,0, 161.99, 0
mid: mol2, SDF, SMILES, flexibase
0.41,0.7,-9.71,2,3,0, 161.99, 0
95619102
 
#23

eMolecules: 215689110
Molport: MolPort-023-220-303
AK Scientific: I015, Y1767
Bide Pharmatech BB: BD126890
BioSynth: W-105517...65 total

34887186
 
#24

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

2540797
 
#25

Lab Seeker Building Blocks: SC-22231
StruChem BB: SC-22231
Tractus: TRA0031975
Alfa Chemistry (Depleted): ACM171596580
SureChEMBL: SCHEMBL2295434...6 total

ref: mol2, SDF, SMILES, flexibase
3.62,8.4,-11.97,1,7,0, 426.856, 4
14982964
 
#26

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
67172221
 
#27

Molport: MolPort-019-878-428
Lab Seeker Building Blocks: SC-27996
StruChem BB: SC-27996
Tractus: TRA0010540
SureChEMBL: SCHEMBL1272453...6 total

ref: mol2, SDF, SMILES, flexibase
-0.60,3.93,-38.38,3,3,0, 157.213, 6
hi: mol2, SDF, SMILES, flexibase
-0.60,3.58,-44.29,2,3,-1, 156.205, 6
4261765
 
#28

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

12402864
 
#29

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

12402865
 
#30

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

95060656
 
#31

eMolecules: 44155524, 1078348
Molport: MolPort-027-564-808, MolPort-001-825-890
AK Scientific: Y1206
Alinda: IBS-L0033933
Apexmol Building Blocks: AM84911...38 total

90715725
 
#32

AK Scientific: X5575
Angene Building Blocks: AGN-PC-001X79
Ark Pharm Building Blocks: AK-29819
Boerchem Pharmatech BB: BC228782
Chembo Pharma: KB-30078...16 total

59029693
 
#33

Apexmol Building Blocks: AM84458
StruChem BB: SC-20410
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120, 20082456
ref: mol2, SDF, SMILES, flexibase
-1.61,0.81,-61.12,6,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.76,-1.95,-18.31,8,11,0, 472.498, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,2.81,-80.15,7,11,0, 472.498, 3
hi: mol2, SDF, SMILES, flexibase
-2.34,1.43,-128.68,5,11,-2, 470.482, 2
hi: mol2, SDF, SMILES, flexibase
-2.34,0.44,-62.12,6,11,-1, 471.49, 2
lo: mol2, SDF, SMILES, flexibase
-1.76,0.06,-52.44,9,11,1, 473.506, 2
59029689
 
#34

Apexmol Building Blocks: AM84458
StruChem BB: SC-20410
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120, 20082456
ref: mol2, SDF, SMILES, flexibase
-1.61,0.52,-60.95,6,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.76,-2.03,-16.58,8,11,0, 472.498, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,2.69,-81.95,7,11,0, 472.498, 3
hi: mol2, SDF, SMILES, flexibase
-2.34,0.24,-67.06,6,11,-1, 471.49, 2
hi: mol2, SDF, SMILES, flexibase
-2.34,1.24,-134.53,5,11,-2, 470.482, 2
lo: mol2, SDF, SMILES, flexibase
-1.76,0.01,-49.87,9,11,1, 473.506, 2
59029683
 
#35

Apexmol Building Blocks: AM84458
StruChem BB: SC-20410
Individual Suppliers: C59029683
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120...6 total

ref: mol2, SDF, SMILES, flexibase
-1.61,2.24,-60.41,6,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.76,-2.51,-18.72,8,11,0, 472.498, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,2.64,-60.08,7,11,0, 472.498, 3
hi: mol2, SDF, SMILES, flexibase
-2.34,3.4,-130.68,5,11,-2, 470.482, 2
hi: mol2, SDF, SMILES, flexibase
-2.34,2.41,-65.46,6,11,-1, 471.49, 2
lo: mol2, SDF, SMILES, flexibase
-1.76,-0.24,-49.98,9,11,1, 473.506, 2
59029678
 
#36

Apexmol Building Blocks: AM84458
StruChem BB: SC-20410
Lab Seeker BB (Depleted): SC-20410
PubChem: 23176120, 20082456
ref: mol2, SDF, SMILES, flexibase
-1.61,0.83,-53.04,6,11,-1, 471.49, 3
mid: mol2, SDF, SMILES, flexibase
-1.76,0.28,-16.31,8,11,0, 472.498, 2
mid: mol2, SDF, SMILES, flexibase
-1.61,2.96,-68.87,7,11,0, 472.498, 3
hi: mol2, SDF, SMILES, flexibase
-2.34,1.4,-138.99,5,11,-2, 470.482, 2
hi: mol2, SDF, SMILES, flexibase
-2.34,0.4,-73.37,6,11,-1, 471.49, 2
lo: mol2, SDF, SMILES, flexibase
-1.76,-0.46,-38.83,9,11,1, 473.506, 2
65731339
 
#37

AK Scientific: Y1609
Angene Building Blocks: AGN-PC-0JPA76
Ark Pharm Building Blocks: AK124349
Chembo Pharma: KB-02398
FineTech: FT-0600468...13 total

2599080
 
#38

ChemMol: 44010358
AK Scientific: 7628AA
Anward: ANW-61868
Ark Pharm Building Blocks: AK-33420
BePharm Building Blocks: B97343...24 total

ref: mol2, SDF, SMILES, flexibase
0.37,2.39,-49.07,0,3,-1, 140.093, 1
lo: mol2, SDF, SMILES, flexibase
0.37,2.82,-57.88,1,3,0, 141.101, 1
2513750
 
#39

ChemMol: 1030928, 30101771, 97802171, 44002200
eMolecules: 2724488
Molport: MolPort-000-003-792
ACB Blocks: IZA-0007
AK Scientific: X8857...52 total

ref: mol2, SDF, SMILES, flexibase
0.60,2.83,-44.18,1,4,-1, 179.13, 1
hi: mol2, SDF, SMILES, flexibase
1.52,5.06,-94.22,7,8,2, 425.924, 4

Similar to: 12404813, 39268945,
1576236
 
#40

ChemMol: 30113784
Aldrich CPR: R411140|ALDRICH
Alfa-Aesar: H62765
Anward: ANW-17138
Apexmol Building Blocks: AM82328...52 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.83,-56.21,1,6,-1, 458.534, 9

Similar to: 2384757, 2389466, 2583022, 31706232, 34363864, ... 7 in total.
2384757
 
#41

ChemMol: 1201806, 30202796, 30101003, 44025020
Molport: MolPort-002-317-347
Acros Organics: 43909
ACT Chemical BB: ACT08655
AK Scientific: K222...65 total

ref: mol2, SDF, SMILES, flexibase
5.92,0.84,-55.16,1,6,-1, 458.534, 9

Similar to: 2389466, 2583022, 31706232, 34363864, 34656103, ... 7 in total.
1532620
 
#42

ChemMol: 44002349, 44021226
eMolecules: 476623
Enolase via KEGG (EFI): C00334_1
Molport: MolPort-002-329-482
TCM Database @ Taiwan: 33114...215 total

ref: mol2, SDF, SMILES, flexibase
-1.10,0.98,-62.79,3,3,0, 103.121, 3
6731693
 
#43

ChemMol: 83600402, 1030332, 30102690, 97602626, 30202648, 30116892, 44002625, 96700608, 44010122
eMolecules: 719246
Molport: MolPort-004-961-843
Acros Organics: 18387, 37429
ACT Chemical BB: ACT02363...157 total

ref: mol2, SDF, SMILES, flexibase
0.35,0.74,-38.56,4,2,1, 152.217, 3
hi: mol2, SDF, SMILES, flexibase
0.35,0.44,-4.06,3,2,0, 151.209, 3
20286346
 
#44

ChemMol: 44002359, 1030919, 30102008
eMolecules: 33623073, 707708
Molport: MolPort-000-002-643, MolPort-000-844-434
ACB Blocks: IZA-0022
AK Scientific: Y6984...59 total

ref: mol2, SDF, SMILES, flexibase
2.09,3.29,-43.2,1,4,-1, 195.585, 1

Similar to: 39268948, 6658368,
2560004
 
#45

eMolecules: 8600024
Molport: MolPort-002-932-786
AKOS: AKOS005380098
Alfa-Aesar: H63895
Anward: ANW-41592...37 total

ref: mol2, SDF, SMILES, flexibase
2.97,2.91,-51.65,0,5,-1, 366.437, 7

Similar to: 39959783,
2517144
 
#46

ChemMol: 30113801
eMolecules: 8600024
Molport: MolPort-002-932-786
AK Scientific: X5881
AKOS: AKOS015837125...49 total

ref: mol2, SDF, SMILES, flexibase
2.97,2.88,-50.4,0,5,-1, 366.437, 7

Similar to: 39959783,
155965
 
#47

ChemMol: 30110476, 96707964, 44005685, 97801314
eMolecules: 508011
Molport: MolPort-000-860-732
Acorn PharmaTech: ACN-S002046
AF ChemPharm: CP-2045...114 total

ref: mol2, SDF, SMILES, flexibase
-0.17,4.48,-39.43,2,3,0, 165.192, 4
1576230
 
#48

ChemMol: 30105861
ACT Chemical BB: ACT04983
Alfa-Aesar: H62691
Anward: ANW-15927
Apexmol Building Blocks: AM81559...42 total

ref: mol2, SDF, SMILES, flexibase
3.10,-3.05,-58.14,3,7,-1, 353.354, 7

Similar to: 2384760, 32220995, 32220996,
2384760
 
#49

ChemMol: 30113793, 30202633
ACT Chemical BB: ACT08640
Alfa-Aesar: B21008
Anward: ANW-36131
Apexmol Building Blocks: AM20120701...58 total

ref: mol2, SDF, SMILES, flexibase
3.10,-3.05,-58.12,3,7,-1, 353.354, 7

Similar to: 32220995, 32220996, 1576230,
2568021
 
#50

ChemMol: 44015004, 96707788, 30113778
Molport: MolPort-016-580-286
Acros Organics: 42623
AK Scientific: 6406AA, Z5195, V1154
Alfa-Aesar: H62380...56 total

ref: mol2, SDF, SMILES, flexibase
0.53,3.24,-51.12,1,7,-1, 246.239, 7

Similar to: 4534300, 34370019, 34370020, 38237666, 39032966, ... 5 in total.
2510138
 
#51

ChemMol: 97800869
eMolecules: 889345
Molport: MolPort-001-791-785
AK Scientific: V0608
Aldrich CPR: CDS014245|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-3.15,-58.12,0,4,-1, 137.136, 2
2539569
 
#52

ChemMol: 30107138, 30202777
Acros Organics: 44091
AK Scientific: V0768
Alfa-Aesar: H63499
Anward: ANW-30513...38 total

ref: mol2, SDF, SMILES, flexibase
2.54,1.37,-59.37,1,7,-1, 331.348, 6

Similar to: 34319347, 34319348, 34319349, 34319350, 34319351, ... 9 in total.
2565176
 
#53

ChemMol: 44022017
eMolecules: 10472612
Molport: MolPort-002-319-192, MolPort-006-124-644
AK Scientific: X4733
AKOS: AKOS008041424...59 total

ref: mol2, SDF, SMILES, flexibase
0.28,-1.26,-45.72,4,5,1, 166.16, 2
hi: mol2, SDF, SMILES, flexibase
2.19,11.61,-89.04,4,8,2, 390.495, 4

Similar to: 33825110,
81255
 
#54

ChemMol: 44005958, 30107472, 83601046, 1030691
eMolecules: 969338
Molport: MolPort-027-640-722, MolPort-001-779-699
AK Scientific: O006, M352
Aldrich CPR: CDS013784|ALDRICH...78 total

ref: mol2, SDF, SMILES, flexibase
1.21,6.2,-54.96,0,4,-1, 193.178, 4

Similar to: 6116173, 6116174, 6116368, 6116369, 31854034, ... 10 in total.
3866429
 
#55

ChemMol: 42307060, 44003309, 96706443, 51500687, 1201688, 30103579, 1033123
eMolecules: 728364
Molport: MolPort-000-002-381
A&J Pharmtech: AJ-00935
Acorn PharmaTech: ACN-S004354...87 total

ref: mol2, SDF, SMILES, flexibase
1.71,2.86,-42.01,0,3,-1, 200.999, 1
4290271
 
#56

ChemMol: 44033989, 96700844
AK Scientific: X6908
AKOS: AKOS015839063
Alfa-Aesar: H60093
Anward: ANW-26139...38 total

ref: mol2, SDF, SMILES, flexibase
5.20,2,-48.69,0,2,-1, 347.459, 7

Similar to: 34548283,
2541680
 
#57

ChemMol: 30114808
Alfa-Aesar: H52190
APIChem: AC-22069
Ark Pharm Building Blocks: AK-89146
Lab Seeker Building Blocks: SC-24390...13 total

ref: mol2, SDF, SMILES, flexibase
5.61,12.51,-52.95,1,7,-1, 424.473, 10

Similar to: 35881119, 38289922,
2386820
 
#58

ChemMol: 97600676
AK Scientific: 0699AB
Apexmol Building Blocks: AM803497
Ark Pharm Building Blocks: AK164327, AK-89146
BePharm Building Blocks: B19323...26 total

ref: mol2, SDF, SMILES, flexibase
5.61,1.18,-54.55,1,7,-1, 424.473, 10

Similar to: 2577887, 34576201, 35881119, 38289922, ... 4 in total.
2547923
 
#59

ChemMol: 97300558, 2101972, 30116511, 44020295
Molport: MolPort-014-756-945
AK Scientific: W3244, Y5064
Aldrich CPR: CDS006482|ALDRICH
Alfa-Aesar: H57801...73 total

ref: mol2, SDF, SMILES, flexibase
-0.07,-0.26,-37.49,2,2,1, 88.13, 1
hi: mol2, SDF, SMILES, flexibase
-0.07,-1.86,-2.34,1,2,0, 87.122, 1
hi: mol2, SDF, SMILES, flexibase
4.39,6.95,-6.93,2,4,0, 391.298, 6
1846128
 
#60

ChemMol: 2101368, 30104897, 44005998, 44027016, 30113608
eMolecules: 539953
Molport: MolPort-019-706-996, MolPort-006-069-360
AK Scientific: H883
AKOS: AKOS015906359...109 total

ref: mol2, SDF, SMILES, flexibase
2.79,9.48,-53.32,0,3,-1, 245.298, 4

Similar to: 34218649, 34218650, 435,
435
 
#61

ChemMol: 2101368, 30113608, 44005998, 44027016, 30104897
eMolecules: 539953
Molport: MolPort-019-706-996, MolPort-006-069-360
AK Scientific: H883
AKOS: AKOS015906359...113 total

ref: mol2, SDF, SMILES, flexibase
2.79,9.51,-57.39,0,3,-1, 245.298, 4

Similar to: 1846128, 1846129, 1846130,
1846130
 
#62

ChemMol: 2101368, 30104897, 44005998, 44027016, 30113608
eMolecules: 539953
Molport: MolPort-006-069-360, MolPort-019-706-996
AK Scientific: H883
AKOS: AKOS015906359...117 total

ref: mol2, SDF, SMILES, flexibase
2.79,9.48,-51.05,0,3,-1, 245.298, 4

Similar to: 34218649, 34218650, 435,
1846129
 
#63

ChemMol: 2101368, 30113608, 44005998, 44027016, 30104897
eMolecules: 539953
Molport: MolPort-019-706-996, MolPort-006-069-360
AK Scientific: H883
AKOS: AKOS015906359...111 total

ref: mol2, SDF, SMILES, flexibase
2.79,9.51,-54.43,0,3,-1, 245.298, 4

Similar to: 34218649, 34218650, 435,
20281086
 
#64

ChemMol: 97805417, 30103810, 44003565, 96705744
eMolecules: 2727320
Acros Organics: 42956
AK Scientific: W7384
AKOS: AKOS001425309...83 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.8,-59.1,1,4,-1, 161.14, 1

Similar to: 32254401, 34455182, 38410099, 39257427, ... 5 in total.
19230032
 
#65

ChemMol: 97300754, 97805418, 44010695
eMolecules: 8193072
Molport: MolPort-000-004-507
Acros Organics: 43012
AK Scientific: W7994...56 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.75,-63.79,1,4,-1, 161.14, 1

Similar to: 34577569, 35904598, 36474086, 43220598, ... 5 in total.
2392245
 
#66

ChemMol: 2000111, 44004025, 30104481, 96708438, 1203546, 97300737
Molport: MolPort-000-002-417
A&J Pharmtech: AJ-00136
Acorn PharmaTech: ACN-S003857
Acros Organics: 45480...82 total

ref: mol2, SDF, SMILES, flexibase
1.55,4.53,-44.41,2,4,1, 215.317, 3

Similar to: 22008314, 34566619, 36878836, 36878842, 36878849, ... 23 in total.
2168942
 
#67

ChemMol: 1035323, 98001330, 44008883, 1200199, 30109979
Molport: MolPort-002-317-197
AK Scientific: X2692
Alfa-Aesar: L15117
Angene Building Blocks: AGN-PC-0L1C0K...53 total

ref: mol2, SDF, SMILES, flexibase
2.42,6.01,-44.88,0,2,-1, 261.038, 2
1845507
 
#68

ChemMol: 96705702, 44030992, 44022752, 97800710
eMolecules: 2872274
Molport: MolPort-002-471-570
Scientific Exchange (make on demand): F-137725
Acros Organics: MO08400...73 total

ref: mol2, SDF, SMILES, flexibase
1.16,4.6,-39.06,3,1,1, 148.229, 2
410253
 
#69

ChemMol: 44027782, 2000370, 96707712
eMolecules: 1097241
Scientific Exchange (make on demand): F-213743
AK Scientific: W4784
AKOS: AKOS000101713...74 total

ref: mol2, SDF, SMILES, flexibase
1.47,7.32,-46.58,0,3,-1, 174.179, 2

Similar to: 581103,
71609827
 
#70

Lab Seeker Building Blocks: SC-24938
StruChem BB: SC-24938
PubChem: 44181940
ref: mol2, SDF, SMILES, flexibase
1.10,12.82,-109.29,0,7,-2, 381.384, 8
lo: mol2, SDF, SMILES, flexibase
1.10,10.73,-50.96,1,7,-1, 382.392, 8
55161912
 
#71

Lab Seeker Building Blocks: SC-24938
StruChem BB: SC-24938
AKOS BB (make-on-demand): AKOS015895714
PubChem: 52385413, 51066550, 44181940
SureChEMBL: SCHEMBL15266302...7 total

ref: mol2, SDF, SMILES, flexibase
1.10,12.75,-108.47,0,7,-2, 381.384, 8
lo: mol2, SDF, SMILES, flexibase
1.10,10.98,-50.12,1,7,-1, 382.392, 8
22873187
 
#72

ChemMol: 44034532, 30111611
eMolecules: 480699
Molport: MolPort-003-926-274, MolPort-003-929-752
Acros Organics: 15810, 24866
AK Scientific: 0141AA...374 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-0.27,-121.36,6,2,2, 116.208, 0
hi: mol2, SDF, SMILES, flexibase
-0.55,-0.5,-39.77,5,2,1, 115.2, 0
hi: mol2, SDF, SMILES, flexibase
-0.55,-0.67,-36.4,5,2,1, 115.2, 0
4202326
 
#73

ChemMol: 30114000, 1203413, 96701046, 44012335, 83602101
A&J Pharmtech: AJ-00291
AK Scientific: W5051
AKOS: AKOS002666583
Aldrich CPR: PH009862|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
0.84,0.79,-50.46,0,4,-1, 157.536, 1
1420576
 
#74

eMolecules: 6911815
Molport: MolPort-000-003-721, MolPort-003-847-409
Scientific Exchange Building Blocks: F-332141
AK Scientific: X4731, Y5354, HTS004638
AKOS: AKOS002392069...90 total

ref: mol2, SDF, SMILES, flexibase
0.49,2.45,-35.35,4,2,1, 139.153, 1
hi: mol2, SDF, SMILES, flexibase
3.55,12.97,-49.11,3,7,1, 408.574, 5

Similar to: 34370938,
2547985
 
#75

ChemMol: 30117302, 1036619
AK Scientific: X8575
Angene Building Blocks: AGN-PC-00OQ84
Anward: ANW-14523
APIChem: AC-24731...34 total

ref: mol2, SDF, SMILES, flexibase
2.44,4.73,-51.61,1,3,-1, 239.048, 1

Similar to: 26475328,
2243228
 
#76

ChemMol: 44007135, 98002273, 1032034, 30109023, 1200523
Acorn PharmaTech: ACN-S004312
AK Scientific: V1735
Angene Building Blocks: AGN-PC-0KKYWS
Anward: ANW-51124...52 total

ref: mol2, SDF, SMILES, flexibase
1.70,4.54,-40.73,0,3,-1, 164.115, 1
11919752
 
#77

ChemMol: 44016051
Molport: MolPort-000-002-606
AK Scientific: W4753
Angene Building Blocks: AGN-PC-0000A5
Anward: ANW-45109...31 total

ref: mol2, SDF, SMILES, flexibase
2.29,-0.51,-56.42,1,3,-1, 194.597, 1

Similar to: 26475432,
2391060
 
#78

ChemMol: 30202488, 30107053, 44005675
ACT Chemical BB: ACT10784
AK Scientific: V1211
AKOS: AKOS015841418
Alfa-Aesar: H59810...54 total

ref: mol2, SDF, SMILES, flexibase
-2.02,-0.78,-34.5,3,5,0, 189.211, 5

Similar to: 2555099,
489156
 
#79

ChemMol: 1036681, 44005203, 30117214, 30200852
eMolecules: 705235
ACB Blocks: ICA-0059
Acorn PharmaTech: ACN-S002799
ACT Chemical BB: ACT09065...77 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.3,-50.88,1,4,-1, 190.178, 2

Similar to: 32003694, 39336448,
1439402
 
#80

ChemMol: 30109827, 97802205
eMolecules: 24756887
Aldrich CPR: CDS008540|ALDRICH
Angene Building Blocks: AGN-PC-0QFCVP
APIChem: AC-4441...43 total

ref: mol2, SDF, SMILES, flexibase
0.72,3.33,-28.84,4,2,1, 135.19, 1
40408295
 
#81

ChemMol: 97802972
Molport: MolPort-012-214-893
Ark Pharm Building Blocks: AK-78887
Enamine Building Blocks: EN300-75000
Lab Seeker Building Blocks: SC-24447...17 total

ref: mol2, SDF, SMILES, flexibase
0.94,3.85,-34.31,4,2,1, 163.244, 3

Similar to: 36786410, 37079402, 37080144, 37081274, 37095617, ... 12 in total.
4899554
 
#82

ChemMol: 30107023, 30202745
ACT Chemical BB: ACT09345
AK Scientific: H688
AKOS: AKOS015911559, AKOS008065353
Alfa-Aesar: H63176...56 total

ref: mol2, SDF, SMILES, flexibase
1.15,3.65,-37.98,2,3,1, 146.21, 4

Similar to: 34569055,
4899430
 
#83

ChemMol: 44005697, 30107105, 97602643
ACT Chemical BB: ACT10066
Alfa-Aesar: B22575
American Custom Chemicals Corp.: CHM0016077
Anward: ANW-23387...49 total

ref: mol2, SDF, SMILES, flexibase
0.01,4.27,-39.63,3,4,0, 237.299, 5

Similar to: 4899542, 6593413, 6593416, 6636732, 6636733, ... 10 in total.
80443110
 
#84

AK Scientific: 1809AB
Anward: ANW-64343
Ark Pharm Building Blocks: AK103930
BePharm Building Blocks: B235469
Chembo Pharma: KB-45521...15 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.24,-53.64,2,4,-1, 176.151, 1
57264
 
#85

ChemMol: 44024315, 30202705
Molport: MolPort-020-004-048
AK Scientific: H371
Alfa-Aesar: H62886
Angene Building Blocks: AGN-PC-0O8W54...51 total

ref: mol2, SDF, SMILES, flexibase
-0.71,1.7,-53.4,0,6,-1, 262.241, 4

Similar to: 39952047,
2510104
 
#86

ChemMol: 1037662, 44010083, 30110265
ACT Chemical BB: ACT00901
AK Scientific: L658
AKOS: AKOS015835194
Alfa-Aesar: L06944...55 total

ref: mol2, SDF, SMILES, flexibase
2.69,1.01,-7.85,0,4,0, 232.033, 2
81252
 
#87

ChemMol: 44005958, 30107472
eMolecules: 969338
Molport: MolPort-027-640-722, MolPort-001-779-699
AK Scientific: M352, O024
Aldrich CPR: CDS013784|ALDRICH...68 total

ref: mol2, SDF, SMILES, flexibase
1.21,6.21,-55.23,0,4,-1, 193.178, 4

Similar to: 6116173, 6116174, 6116368, 6116369, 31854034, ... 10 in total.
391898
 
#88

ChemMol: 97800222, 30104486, 44004030, 44010753, 83603306, 2000453, 96707572, 97602629, 30200463
eMolecules: 2858743
Molport: MolPort-002-465-320
A&J Pharmtech: AJ-00389
Acros Organics: 30299...205 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-1.48,-36.33,4,3,1, 115.156, 1
hi: mol2, SDF, SMILES, flexibase
1.88,3.13,-11.09,2,6,0, 340.36, 3

Similar to: 6488375, 34594854, 34594855, 34594856, 34594857, ... 5 in total.
391899
 
#89

ChemMol: 2000443, 30202641, 96707889, 44011518, 97602775
eMolecules: 2858743
Molport: MolPort-002-465-320
ACT Chemical BB: ACT05031
AK Scientific: X4031...155 total

ref: mol2, SDF, SMILES, flexibase
-0.22,-1.46,-36.57,4,3,1, 115.156, 1
hi: mol2, SDF, SMILES, flexibase
2.63,8.06,-6.21,0,2,0, 284.1, 1

Similar to: 6488375, 34594854, 34594855, 34594856, 34594857, ... 5 in total.
3861259
 
#90

Acros Organics: 41122, 17280
AK Scientific: M549
Aldrich CPR: R344656|ALDRICH, S616974|ALDRICH
Alfa-Aesar: L16853, L16854, A14907
Angene Building Blocks: AGN-PC-0JK990...149 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.32,-34.7,0,2,-1, 213.028, 3
408378
 
#91

Aldrich CPR: S517038|ALDRICH
Ark Pharm Building Blocks: AK-86593
Lab Seeker Building Blocks: SC-12898
Molport BB: MolPort-001-830-131
NCI Plated 2007: 11560...10 total

ref: mol2, SDF, SMILES, flexibase
1.34,5.92,-39.99,6,5,1, 210.648, 2
38138676
 
#92

Element Store BB: b2star-117106-20-4
Lab Seeker Building Blocks: SC-24344
StruChem BB: SC-24344
Tractus: TRA0012064
PubChem: 15601073...5 total

ref: mol2, SDF, SMILES, flexibase
2.85,13.2,-54.27,0,6,-1, 410.49, 8

Similar to: 2389704, 34636397,
38138675
 
#93

Element Store BB: b2star-117106-20-4
Lab Seeker Building Blocks: SC-24344
StruChem BB: SC-24344
Tractus: TRA0012064
PubChem: 15601073...5 total

ref: mol2, SDF, SMILES, flexibase
2.85,13.77,-51.24,0,6,-1, 410.49, 8

Similar to: 2389704, 36476452, 34585370, 34636397, ... 4 in total.
2389704
 
#94

ChemMol: 30113797
AK Scientific: TMA042
Aldrich CPR: CDS010365|ALDRICH
Alfa-Aesar: H63170
Anward: ANW-56031...31 total

ref: mol2, SDF, SMILES, flexibase
2.85,3.07,-50.82,0,6,-1, 410.49, 8

Similar to: 2583286, 34382755, 34382756, 34585370, 34636397, ... 9 in total.
38138674
 
#95

Element Store BB: b2star-117106-20-4
Lab Seeker Building Blocks: SC-24344
Matrix Scientific: 042484
Molport BB: MolPort-006-705-983
StruChem BB: SC-24344...9 total

ref: mol2, SDF, SMILES, flexibase
2.85,13.92,-52.83,0,6,-1, 410.49, 8

Similar to: 2389704, 36476452, 34585370, 34636397, ... 4 in total.
1686373
 
#96

ChemMol: 44019121
Molport: MolPort-002-507-588
AK Scientific: V6663
Alfa-Aesar: H63008, H53417
Anward: ANW-42522...41 total

ref: mol2, SDF, SMILES, flexibase
2.98,0.74,-48.53,1,7,-1, 294.283, 9

Similar to: 34226886, 34226891, 34226892, 34233376, 34233378, ... 21 in total.
1873093
 
#97

Molport: MolPort-016-580-305
AK Scientific: 2388AB
Alfa-Aesar: H63008
Ark Pharm Building Blocks: AK-85730
Bachem: C-3930...27 total

ref: mol2, SDF, SMILES, flexibase
2.98,0.74,-48.54,1,7,-1, 294.283, 9

Similar to: 34226886, 34226891, 34226892, 34233376, 34233378, ... 20 in total.
2562488
 
#98

ChemMol: 97600323
eMolecules: 4353136
Molport: MolPort-000-001-470
Acros Organics: 43818
AK Scientific: V1057...71 total

ref: mol2, SDF, SMILES, flexibase
2.78,-0.03,-49,1,5,-1, 202.23, 5

Similar to: 34597601, 36978871, 36978873, 44239165, 44239168, ... 6 in total.
36377934
 
#99

ChemMol: 30202489
Molport: MolPort-020-000-839
ACT Chemical BB: ACT10910
AK Scientific: V1202
Alfa-Aesar: H63128...54 total

ref: mol2, SDF, SMILES, flexibase
0.15,4.72,-40.08,2,5,-1, 222.22, 6

Similar to: 38200518, 1709637, 1731793,
38200518
 
#100

Molport: MolPort-020-000-839
AK Scientific: V1204
Alfa-Aesar: H63362
American Custom Chemicals Corp.: AAA0000810
Anward: ANW-37285...32 total

ref: mol2, SDF, SMILES, flexibase
0.15,4.73,-43.77,2,5,-1, 222.22, 6

Similar to: 1709637, 1731793, 36377934,

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 = 801 ) limit 0,100

Smiles were