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27998766
 
#1

Molport: MolPort-019-910-292
AK Scientific: X9779
Anward: ANW-46980
Apexmol Building Blocks: AM85553
Ark Pharm Building Blocks: AK-80581...18 total

ref: mol2, SDF, SMILES, flexibase
2.17,6.61,-4.47,0,3,0, 172.224, 7

Similar to: 34447943, 34549947, 38524669, 39299290, 43504387, ... 7 in total.
12359795
 
#2

AK Scientific: Z4009
Alfa-Aesar: H50870
Angene Building Blocks: AGN-PC-0N9IH0
Anward: ANW-54107
Apexmol Building Blocks: AM20112002...26 total

ref: mol2, SDF, SMILES, flexibase
1.20,3.54,-6.03,0,4,0, 173.212, 4
154785
 
#3

ChemMol: 44012260, 1031345, 30110103
eMolecules: 476778
AKOS: AKOS001848887
Alfa-Aesar: L09545
Angene Building Blocks: AGN-PC-0JVO5J...61 total

ref: mol2, SDF, SMILES, flexibase
0.75,1.97,-7.45,2,4,0, 178.191, 2

Similar to: 39048539,
6119142
 
#4

ChemMol: 30110555, 44008018, 1033279, 97300780, 96701094, 44010740, 97801746
eMolecules: 887212
Acorn PharmaTech: ACN-S003142
Acros Organics: 43744
ACT Chemical BB: ACT01623...96 total

ref: mol2, SDF, SMILES, flexibase
1.35,4.01,-9.25,1,3,0, 153.572, 0
20357993
 
#5

ChemMol: 30115617, 44014278, 96705762, 97805435
eMolecules: 877300
Molport: MolPort-000-883-783
AK Scientific: W7653
AKOS: AKOS000265217...54 total

ref: mol2, SDF, SMILES, flexibase
1.11,2.66,-7.22,0,4,0, 172.571, 2
12016252
 
#6

ChemMol: 44017819, 2100974
Molport: MolPort-003-987-213
Acros Organics: 43111
AK Scientific: W8288
Angene Building Blocks: AGN-PC-0N319T...48 total

ref: mol2, SDF, SMILES, flexibase
1.49,1.52,-6.97,0,4,0, 186.598, 3
16123717
 
#7

AK Scientific: W7734
AKOS: AKOS010077238
Anward: ANW-50691
Apexmol Building Blocks: AM20100607
Ark Pharm Building Blocks: AK-28115...37 total

ref: mol2, SDF, SMILES, flexibase
0.10,-1.17,-6.69,2,4,0, 157.56, 1
30678251
 
#8

ChemMol: 2101745, 96705968, 44014202
Acros Organics: 45120
AK Scientific: X0234
Alfa-Aesar: H57870
Angene Building Blocks: AGN-PC-003EBP...55 total

ref: mol2, SDF, SMILES, flexibase
-0.67,-0.14,-5.43,0,2,0, 72.063, 0
34203349
 
#9

ChemMol: 44023571, 2101063
Molport: MolPort-015-163-768
AK Scientific: W7934
Alfa-Aesar: H62110
Angene Building Blocks: AGN-PC-0001YP...39 total

ref: mol2, SDF, SMILES, flexibase
0.12,3.32,-7.01,0,3,0, 128.127, 2

Similar to: 34370402, 34370403, 34370404, 34370405, 39647953, ... 5 in total.
2558419
 
#10

eMolecules: 816576, 31527085
Molport: MolPort-004-961-048, MolPort-000-848-436
AK Scientific: 0180AD
AKOS: AKOS000301901
Aldrich CPR: CBR01279|ALDRICH...70 total

ref: mol2, SDF, SMILES, flexibase
0.40,1.61,-6.19,2,3,0, 125.175, 1
389780
 
#11

eMolecules: 501639
Molport: MolPort-001-791-609
Acros Organics: 42887
AK Scientific: 6976AB
AKOS: AKOS001434501...40 total

ref: mol2, SDF, SMILES, flexibase
2.67,3.22,-6.79,1,2,0, 174.199, 1

Similar to: 36467065, 39019310, 39236381,
32915207
 
#12

ChemMol: 2101064
Molport: MolPort-015-163-769
AK Scientific: W8940
Aldrich CPR: T160598|ALDRICH
Alfa-Aesar: H62420...33 total

ref: mol2, SDF, SMILES, flexibase
0.49,4.26,-6.62,0,3,0, 142.154, 3

Similar to: 38434034, 39647954,
30678590
 
#13

AK Scientific: W7119
AKOS: AKOS009314780
Angene Building Blocks: AGN-PC-0NI8E2
Anward: ANW-50604
Apexmol Building Blocks: AM20040763...32 total

ref: mol2, SDF, SMILES, flexibase
3.05,4.14,-8.21,1,2,0, 188.226, 2

Similar to: 32223550, 34450223, 34450225, 34463639, 34596599, ... 13 in total.
1555410
 
#14

eMolecules: 206975534, 711909
Molport: MolPort-002-506-800, MolPort-002-507-339
Acros Organics: 15457
AK Scientific: O151
AKOS: AKOS001042401...129 total

ref: mol2, SDF, SMILES, flexibase
1.06,4.71,-9.09,0,2,0, 166.22, 0

Similar to: 17004721, 17824094, 17887416,
3276855
 
#15

ChemMol: 44010458, 30110421
eMolecules: 1532022
Molport: MolPort-002-020-625
Acorn PharmaTech: ACN-S004379
AK Scientific: Z2525...48 total

ref: mol2, SDF, SMILES, flexibase
2.32,2.77,-10.69,0,1,0, 190.576, 2
20244846
 
#16

ChemMol: 2102290
AK Scientific: W3363
AKOS: AKOS008109457
Angene Building Blocks: AGN-PC-03F0UX
Anward: ANW-49300...33 total

ref: mol2, SDF, SMILES, flexibase
-1.38,-3.18,-52.2,2,5,-1, 152.151, 3
hi: mol2, SDF, SMILES, flexibase
-1.38,-2.5,-95.99,1,5,-2, 151.143, 3
2572488
 
#17

ChemMol: 44026830
eMolecules: 531675
Molport: MolPort-000-861-488
AK Scientific: Y5311
AKOS: AKOS009156693...42 total

ref: mol2, SDF, SMILES, flexibase
-1.11,-5.7,-55.41,2,5,-1, 166.178, 4
hi: mol2, SDF, SMILES, flexibase
0.57,1.81,-14.79,1,6,0, 340.397, 3
4284507
 
#18

ChemMol: 97602768, 44016159, 97603002, 83601571, 44026831, 96705460
eMolecules: 206843897, 206905219
Molport: MolPort-016-581-619, MolPort-000-001-001, MolPort-001-767-837, MolPort-002-473-430, MolPort-002-499-405
Scientific Exchange (make on demand): Z-001816
Acros Organics: 36833...151 total

ref: mol2, SDF, SMILES, flexibase
-0.26,1.72,-77.41,3,3,0, 143.186, 1

Similar to: 5839813, 39247638, 39247639,
1728277
 
#19

Molport: MolPort-016-965-518, MolPort-016-636-438
AK Scientific: W7364
AKOS: AKOS015906979
Alfa-Aesar: H62562
Amadis Chemical: A848752...69 total

ref: mol2, SDF, SMILES, flexibase
0.35,2.85,-45.9,3,3,1, 158.221, 2

Similar to: 34475440, 34475441, 34484329, 34540899, ... 4 in total.
2386596
 
#20

ChemMol: 96705575, 97602887, 44018521
eMolecules: 206903788
Molport: MolPort-003-725-322, MolPort-012-963-942
Acros Organics: 44161
AK Scientific: V6446...87 total

ref: mol2, SDF, SMILES, flexibase
3.48,4.23,-51.73,1,5,-1, 242.295, 4

Similar to: 6429137, 6429144, 34223799, 34223800, 34223801, ... 11 in total.
71789325
 
#21

Molport: MolPort-021-873-070, MolPort-020-004-939
AK Scientific: W3196
AKOS: AKOS015838051
Anward: ANW-49578
Apexmol Building Blocks: AM20070455...37 total

ref: mol2, SDF, SMILES, flexibase
4.09,5.28,-9.8,1,5,0, 257.33, 5
1435792
 
#22

ChemMol: 44014378
eMolecules: 6745905
Molport: MolPort-002-697-445
A&J Pharmtech: AJ-02365
AKOS: AKOS000263873...74 total

ref: mol2, SDF, SMILES, flexibase
-0.43,2.17,-9.11,1,3,0, 97.121, 0
16124607
 
#23

ChemMol: 44017492, 97804685, 30113422, 44012125, 96700740
Molport: MolPort-000-874-682
Acros Organics: MAY00098, 42953
AK Scientific: X3242, Y4602
AKOS: AKOS000279281...87 total

ref: mol2, SDF, SMILES, flexibase
0.85,1.65,-46.52,0,4,-1, 157.536, 1
hi: mol2, SDF, SMILES, flexibase
1.90,6.68,-59.46,5,7,1, 440.564, 5
26506934
 
#24

AK Scientific: Y5175
Anward: ANW-53955
Apexmol Building Blocks: AM20130008
Ark Pharm Building Blocks: AK-41038
Beijing Acemol Technology: AMPD00081...22 total

ref: mol2, SDF, SMILES, flexibase
1.48,3.02,-40.37,0,3,-1, 170.575, 1
hi: mol2, SDF, SMILES, flexibase
1.46,4.63,-9.19,1,5,0, 287.315, 2
20357819
 
#25

ChemMol: 44026833, 97802401
Acorn PharmaTech: ACN-S002904
AK Scientific: X0293
Angene Building Blocks: AGN-PC-0NI28A
Anward: ANW-48732...45 total

ref: mol2, SDF, SMILES, flexibase
-0.35,-0.05,-57.15,2,5,-1, 138.106, 1
lo: mol2, SDF, SMILES, flexibase
-0.35,0.12,-53.22,3,5,0, 139.114, 1
4228181
 
#26

ChemMol: 30109105, 30203702, 44007935, 2102283, 83602134, 2100940
eMolecules: 5679140
Molport: MolPort-000-876-904
Acorn PharmaTech: ACN-S001328
ACT Chemical BB: ACT02726...89 total

ref: mol2, SDF, SMILES, flexibase
-0.50,2.3,-40.96,0,3,-1, 113.092, 1

Similar to: 34582568, 34582572, 34582575, 34582578, ... 4 in total.
71789326
 
#27

Molport: MolPort-019-910-294
AK Scientific: Y4413
Anward: ANW-58047
Apexmol Building Blocks: AM20130011
Ark Pharm Building Blocks: AK-96703...16 total

ref: mol2, SDF, SMILES, flexibase
0.05,0.9,-51.18,5,5,1, 230.332, 3
mid: mol2, SDF, SMILES, flexibase
0.05,0.32,-47.23,5,5,1, 230.332, 3
mid: mol2, SDF, SMILES, flexibase
0.05,0.64,-139.68,6,5,2, 231.34, 3
2384161
 
#28

eMolecules: 891004
AK Scientific: 6188AB, 1877AE
Aldrich CPR: CDS000087|ALDRICH
Alfa-Aesar: L17399, L16873
American Custom Chemicals Corp.: HCH0014644...62 total

ref: mol2, SDF, SMILES, flexibase
0.28,0.21,-39.15,1,3,-1, 157.067, 2

Similar to: 2556480, 34364408, 34364409, 34364410, ... 4 in total.
71789327
 
#29

Molport: MolPort-020-004-940
AK Scientific: 2418AB
Anward: ANW-65549
Apexmol Building Blocks: AM61433, AM20130009
Ark Pharm Building Blocks: AK-97092...18 total

ref: mol2, SDF, SMILES, flexibase
0.85,5.38,-61.15,1,4,-1, 224.211, 3
4343718
 
#30

eMolecules: 973417
Molport: MolPort-001-782-213
AK Scientific: 1796AB
AKOS: AKOS000155485
Aldrich CPR: CDS001898|ALDRICH...64 total

ref: mol2, SDF, SMILES, flexibase
0.20,2.71,-51.12,0,3,-1, 129.135, 2

Similar to: 4343720,
4343720
 
#31

eMolecules: 973417
Molport: MolPort-001-782-213
AK Scientific: 1796AB
AKOS: AKOS000155485
Aldrich CPR: CDS001898|ALDRICH...64 total

ref: mol2, SDF, SMILES, flexibase
0.20,2.49,-50.19,0,3,-1, 129.135, 2

Similar to: 4343718,
14827249
 
#32

Molport: MolPort-016-636-107
AKOS: AKOS008132301
Beijing Advanced Technology: CK-03-031
Enamine Building Blocks: EN300-68736, EN300-145386
Mcule: MCULE-6750636271...18 total

ref: mol2, SDF, SMILES, flexibase
-0.63,3.4,-35.01,2,3,0, 145.202, 4

Old detail retrieval took 0 seconds.

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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 = 552 ) limit 0,100

Smiles were