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1345186
 
#1

ACB Blocks: MIX-0592
AKOS: AKOS000674618
Aldrich CPR: T310514|ALDRICH
Asinex: BAS08896682
Chembo Pharma: KB-283227...18 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.92,-7.82,1,4,0, 179.175, 2
5135175
 
#2

AKOS: AKOS000674336
Asinex: BAS09627244
Chembo Pharma: KB-283262
ChemDiv BuildingBlocks: BB51-1183
Molport BB: MolPort-002-015-868...12 total

ref: mol2, SDF, SMILES, flexibase
2.21,0.19,-6.7,1,3,0, 195.243, 2
31775920
 
#3

eMolecules: 27441194
Molport: MolPort-008-320-615
Alinda Building Blocks: ALBB-028117
ChemDiv BuildingBlocks: BB51-0272
Enamine Building Blocks: EN300-68274...24 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.93,-9.36,0,4,0, 182.614, 1

Similar to: 34962791, 34962793, 34962801, 37048930, ... 4 in total.
494924
 
#4

ChemMol: 44028618
eMolecules: 836602
Molport: MolPort-000-871-137
Scientific Exchange (make on demand): POD_35/0250
AK Scientific: V7472...47 total

ref: mol2, SDF, SMILES, flexibase
1.15,4.32,-9.58,0,4,0, 168.587, 0

Similar to: 32221971,
26512698
 
#5

eMolecules: 31413455
Molport: MolPort-004-798-293
ChemDiv BuildingBlocks: BB50-0510
Chemstep: 69516
Enamine Building Blocks: EN300-59219...21 total

ref: mol2, SDF, SMILES, flexibase
0.63,0.65,-9.71,2,4,0, 161.164, 1
lo: mol2, SDF, SMILES, flexibase
0.63,1.1,-41.2,3,4,1, 162.172, 1

Similar to: 26512680,
26512722
 
#6

eMolecules: 31416342
Molport: MolPort-004-798-296
Ark Pharm Building Blocks: AK125314
Chembo Pharma: KB-196649
ChemBridge BuildingBlocks: 4042602...33 total

ref: mol2, SDF, SMILES, flexibase
0.41,0.68,-10.05,2,4,0, 161.164, 1
lo: mol2, SDF, SMILES, flexibase
0.41,1.11,-40.47,3,4,1, 162.172, 1

Similar to: 26512700,
20078685
 
#7

eMolecules: 31508607
Molport: MolPort-004-411-102
ChemDiv BuildingBlocks: BB50-0505
Enamine Building Blocks: EN300-85943
IBScreen: STOCK7S-29349...18 total

ref: mol2, SDF, SMILES, flexibase
1.29,1.4,-9.62,2,3,0, 166.205, 1

Similar to: 26512644,
3603297
 
#8

eMolecules: 590662
Aldrich CPR: L482994|ALDRICH
BOC Sciences BB: 243448-17-1
Chembo Pharma: KB-236964
ChemDiv BuildingBlocks: BB50-0504...33 total

ref: mol2, SDF, SMILES, flexibase
1.49,1.63,-7.31,2,3,0, 166.205, 1
8618515
 
#9

Molport: MolPort-019-723-400, MolPort-001-780-576
Alfa-Aesar: L18959
American Custom Chemicals Corp.: CHM0018042
Apexmol Building Blocks: AM806542
Ark Pharm Building Blocks: AK124332...34 total

ref: mol2, SDF, SMILES, flexibase
1.51,0.02,-5.25,2,3,0, 110.116, 1
32917348
 
#10

Molport: MolPort-011-520-543
ChemDiv BuildingBlocks: BB50-0406
Molport BB: MolPort-011-520-543
Zylexa Pharma BB: ZP-BB-CD006505
PubChem: 15076236...8 total

ref: mol2, SDF, SMILES, flexibase
1.86,3.6,-13.05,2,1,0, 157.263, 1
12336433
 
#11

eMolecules: 10927805
Molport: MolPort-007-583-109
Aldrich CPR: CDS016652|ALDRICH
Alfa-Aesar: H54429
Ark Pharm Building Blocks: AK-69899...25 total

ref: mol2, SDF, SMILES, flexibase
0.40,1.41,-11.26,4,4,0, 175.191, 1
lo: mol2, SDF, SMILES, flexibase
0.40,1.11,-32.92,5,4,1, 176.199, 1
lo: mol2, SDF, SMILES, flexibase
0.40,1.39,-31.01,5,4,1, 176.199, 1
405817
 
#12

eMolecules: 623697
Scientific Exchange (make on demand): Z-074406
AKOS: AKOS000266459
Aldrich CPR: R366633|ALDRICH
Asinex: BAS08977204...22 total

ref: mol2, SDF, SMILES, flexibase
1.75,5.74,-12,0,4,0, 223.253, 3

Similar to: 625615, 5739988, 5739994, 5739998, 34344035, ... 10 in total.
32917346
 
#13

Molport: MolPort-015-137-870
ChemDiv BuildingBlocks: BB50-0402
Molport BB: MolPort-015-137-870
Zylexa Pharma BB: ZP-BB-CD006501
PubChem: 44121811...5 total

ref: mol2, SDF, SMILES, flexibase
-0.28,2.73,-16.67,0,7,0, 300.384, 3
32917340
 
#14

Molport: MolPort-015-137-867
ChemDiv BuildingBlocks: BB50-0397
Molport BB: MolPort-015-137-867
Zylexa Pharma BB: ZP-BB-CD006497
PubChem: 44121808...6 total

ref: mol2, SDF, SMILES, flexibase
2.19,9.5,-13.3,0,3,0, 268.36, 2
5461869
 
#15

eMolecules: 834977
AK Scientific: 0944AB
AKOS: AKOS000265998
Anward: ANW-57174
Apexmol Building Blocks: AM803516...48 total

ref: mol2, SDF, SMILES, flexibase
3.28,7.29,-10.07,1,3,0, 217.268, 3

Similar to: 16538248, 23373014, 42367650,
32917338
 
#16

Molport: MolPort-015-137-866
ChemDiv BuildingBlocks: BB50-0393
Molport BB: MolPort-015-137-866
Zylexa Pharma BB: ZP-BB-CD006493
Debye Scientific BB (Depleted): DA-04063...9 total

ref: mol2, SDF, SMILES, flexibase
1.29,-0.21,-7.72,0,4,0, 195.609, 1

Similar to: 36723689, 36732286, 39257339,
32917336
 
#17

Molport: MolPort-015-137-865
ChemDiv BuildingBlocks: BB50-0392
Molport BB: MolPort-015-137-865
Zylexa Pharma BB: ZP-BB-CD006492
PubChem: 44121807...6 total

ref: mol2, SDF, SMILES, flexibase
4.12,3.5,-7.2,0,4,0, 271.707, 2

Similar to: 39257339,
190610
 
#18

ChemMol: 44010939, 30114271
eMolecules: 502923
Scientific Exchange (make on demand): Z-043936
Acros Organics: 42794
AK Scientific: X8331...71 total

ref: mol2, SDF, SMILES, flexibase
0.50,3.96,-9.32,0,5,0, 195.174, 4

Similar to: 1504868, 19092146,
11025508
 
#19

ChemMol: 44020630
eMolecules: 1849079
Scientific Exchange (make on demand): Z-043827
AK Scientific: 6799AB
AKOS: AKOS002212270...56 total

ref: mol2, SDF, SMILES, flexibase
1.40,2.81,-11.34,1,3,0, 160.176, 0

Similar to: 25503617, 34577932, 3632458,
32917314
 
#20

ChemDiv BuildingBlocks: BB50-0367
Zylexa Pharma BB: ZP-BB-CD006475
PubChem: 44121800
ref: mol2, SDF, SMILES, flexibase
0.49,1.75,-15.93,3,6,0, 232.243, 2
32917310
 
#21

ChemDiv BuildingBlocks: BB50-0365
Zylexa Pharma BB: ZP-BB-CD006473
ref: mol2, SDF, SMILES, flexibase
-0.33,2.25,-15.12,3,8,0, 302.338, 4
32917307
 
#22

ChemDiv BuildingBlocks: BB50-0362
Zylexa Pharma BB: ZP-BB-CD006471
PubChem: 61135951, 44121796
Enamine BB Make on Demand: BBV-32442310
UORSY BB Make-on-demand: BBV-32442310...6 total

ref: mol2, SDF, SMILES, flexibase
1.43,2.58,-11.85,5,6,0, 270.292, 3
lo: mol2, SDF, SMILES, flexibase
1.43,2.41,-39.41,6,6,1, 271.3, 3
lo: mol2, SDF, SMILES, flexibase
1.43,2.32,-42.26,6,6,1, 271.3, 3
32917303
 
#23

ChemDiv BuildingBlocks: BB50-0359
Zylexa Pharma BB: ZP-BB-CD006469
PubChem: 44121794
ref: mol2, SDF, SMILES, flexibase
0.94,1.55,-10.69,5,6,0, 250.302, 4
lo: mol2, SDF, SMILES, flexibase
0.94,1.29,-40.71,6,6,1, 251.31, 4
lo: mol2, SDF, SMILES, flexibase
0.94,1.38,-37.65,6,6,1, 251.31, 4
32917302
 
#24

ChemDiv BuildingBlocks: BB50-0359
Zylexa Pharma BB: ZP-BB-CD006469
PubChem: 44121794
ref: mol2, SDF, SMILES, flexibase
0.94,1.52,-15.64,5,6,0, 250.302, 4
lo: mol2, SDF, SMILES, flexibase
0.94,1.29,-40.7,6,6,1, 251.31, 4
lo: mol2, SDF, SMILES, flexibase
0.94,1.38,-37.69,6,6,1, 251.31, 4
32917298
 
#25

Molport: MolPort-012-192-987
ChemDiv BuildingBlocks: BB50-0355
Zylexa Pharma BB: ZP-BB-CD006465
PubChem: 44121792, 61130972
Enamine BB Make on Demand: BBV-32442806...7 total

ref: mol2, SDF, SMILES, flexibase
1.44,1.89,-12.43,4,6,0, 305.359, 4
mid: mol2, SDF, SMILES, flexibase
1.44,1.8,-47.05,3,6,-1, 304.351, 4
mid: mol2, SDF, SMILES, flexibase
1.44,2.01,-48.59,3,6,-1, 304.351, 4
5936877
 
#26

Molport: MolPort-007-567-607
ChemDiv BuildingBlocks: BB50-0350
Mcule: MCULE-7111784249
Molport BB: MolPort-007-567-607
Zylexa Pharma BB: ZP-BB-CD006461...11 total

ref: mol2, SDF, SMILES, flexibase
1.35,4.16,-9.65,3,4,0, 227.267, 3

Similar to: 5936869,
5936869
 
#27

Molport: MolPort-007-567-607
ChemDiv BuildingBlocks: BB50-0350
Mcule: MCULE-7111784249
Molport BB: MolPort-007-567-607
Zylexa Pharma BB: ZP-BB-CD006461...11 total

ref: mol2, SDF, SMILES, flexibase
1.35,4.15,-9.64,3,4,0, 227.267, 3
lo: mol2, SDF, SMILES, flexibase
1.35,3.42,-32.97,4,4,1, 228.275, 3

Similar to: 5936877,
32917294
 
#28

Molport: MolPort-015-137-843
ChemDiv BuildingBlocks: BB50-0349
Molport BB: MolPort-015-137-843
Zylexa Pharma BB: ZP-BB-CD006460
PubChem: 44121790...6 total

ref: mol2, SDF, SMILES, flexibase
1.81,3.14,-9.67,2,4,0, 221.285, 2
mid: mol2, SDF, SMILES, flexibase
1.81,2.98,-50.5,3,4,1, 222.293, 2
32917293
 
#29

ChemDiv BuildingBlocks: BB50-0348
Molport BB: MolPort-012-192-991
Zylexa Pharma BB: ZP-BB-CD006459
PubChem: 61131168, 44121789
Enamine BB Make on Demand: BBV-32442810...7 total

ref: mol2, SDF, SMILES, flexibase
-0.16,-0.94,-43.34,3,6,-1, 242.28, 4
lo: mol2, SDF, SMILES, flexibase
-0.16,-1.12,-43.6,4,6,0, 243.288, 4
lo: mol2, SDF, SMILES, flexibase
-0.16,-1.1,-12.23,4,6,0, 243.288, 4
lo: mol2, SDF, SMILES, flexibase
-0.16,-1.24,-12.36,4,6,0, 243.288, 4
lo: mol2, SDF, SMILES, flexibase
-0.16,-1.21,-48.44,4,6,0, 243.288, 4

Similar to: 42810899,
32917291
 
#30

ChemDiv BuildingBlocks: BB50-0347
Zylexa Pharma BB: ZP-BB-CD006458
PubChem: 44121788
ref: mol2, SDF, SMILES, flexibase
0.07,2.64,-15.49,3,6,0, 218.216, 2
32917287
 
#31

Molport: MolPort-015-137-840
ChemDiv BuildingBlocks: BB50-0344
Molport BB: MolPort-015-137-840
Zylexa Pharma BB: ZP-BB-CD006455
PubChem: 44121786...6 total

ref: mol2, SDF, SMILES, flexibase
1.78,3.4,-8.86,0,6,0, 273.292, 2
32917281
 
#32

ChemDiv BuildingBlocks: BB50-0341
Zylexa Pharma BB: ZP-BB-CD006452
PubChem: 44121783
ref: mol2, SDF, SMILES, flexibase
-0.19,5.15,-15.67,3,7,0, 301.35, 4
mid: mol2, SDF, SMILES, flexibase
-0.19,5.43,-42.02,4,7,1, 302.358, 4
mid: mol2, SDF, SMILES, flexibase
-0.19,5.54,-46.47,4,7,1, 302.358, 4
4347306
 
#33

eMolecules: 207081960
Molport: MolPort-002-926-432
Aldrich CPR: CDS018716|ALDRICH
Chembo Pharma: KB-239088
ChemDiv BuildingBlocks: BB50-0340...19 total

ref: mol2, SDF, SMILES, flexibase
-0.52,-1.84,-41.41,3,6,-1, 228.253, 3
mid: mol2, SDF, SMILES, flexibase
-0.52,-2,-15.34,4,6,0, 229.261, 3
mid: mol2, SDF, SMILES, flexibase
-0.52,-2.23,-13.27,4,6,0, 229.261, 3
lo: mol2, SDF, SMILES, flexibase
-0.52,-2.16,-42.48,5,6,1, 230.269, 3
lo: mol2, SDF, SMILES, flexibase
-0.52,-2.26,-43.54,5,6,1, 230.269, 3
32917279
 
#34

ChemDiv BuildingBlocks: BB50-0338
Zylexa Pharma BB: ZP-BB-CD006450
PubChem: 44121782
ref: mol2, SDF, SMILES, flexibase
0.70,0.56,-48.48,3,6,-1, 270.334, 5
lo: mol2, SDF, SMILES, flexibase
0.70,0.49,-14.69,4,6,0, 271.342, 5
lo: mol2, SDF, SMILES, flexibase
0.70,0.23,-10.88,4,6,0, 271.342, 5
32917276
 
#35

ChemDiv BuildingBlocks: BB50-0336
Zylexa Pharma BB: ZP-BB-CD006448
PubChem: 43155954
Enamine BB Make on Demand: BBV-5107520
UORSY BB Make-on-demand: BBV-5107520...5 total

ref: mol2, SDF, SMILES, flexibase
0.12,1.31,-10.19,4,5,0, 221.26, 3

Similar to: 34975347, 34975380, 36788275, 36788276, 36789606, ... 19 in total.
331249
 
#36

eMolecules: 1396689
Molport: MolPort-001-908-651
AKOS: AKOS000265289
ChemBridge: 6151361
ChemDiv BuildingBlocks: BB50-0335...18 total

ref: mol2, SDF, SMILES, flexibase
4.34,1.36,-5.44,0,3,0, 254.264, 2

Similar to: 8600961, 36888232,
32917274
 
#37

ChemDiv BuildingBlocks: BB50-0334
Zylexa Pharma BB: ZP-BB-CD006446
PubChem: 44121780
ref: mol2, SDF, SMILES, flexibase
0.33,-0.34,-47.32,3,6,-1, 256.307, 4
lo: mol2, SDF, SMILES, flexibase
0.33,-0.4,-15.12,4,6,0, 257.315, 4
lo: mol2, SDF, SMILES, flexibase
0.33,-0.66,-11.51,4,6,0, 257.315, 4
8552731
 
#38

eMolecules: 206999399
Molport: MolPort-001-792-613
Chembo Pharma: KB-86622
ChemDiv BuildingBlocks: BB50-0332
Maybridge: DP01430...15 total

ref: mol2, SDF, SMILES, flexibase
-0.53,0.28,-13.58,4,5,0, 193.206, 2
lo: mol2, SDF, SMILES, flexibase
-0.53,0.02,-37.5,5,5,1, 194.214, 2
lo: mol2, SDF, SMILES, flexibase
-0.53,0.12,-35.77,5,5,1, 194.214, 2

Similar to: 34027486,
32917271
 
#39

ChemDiv BuildingBlocks: BB50-0330
Zylexa Pharma BB: ZP-BB-CD006442
PubChem: 61135573, 44121779
Enamine BB Make on Demand: BBV-32442271
UORSY BB Make-on-demand: BBV-32442271...6 total

ref: mol2, SDF, SMILES, flexibase
1.46,2.59,-14.6,5,6,0, 270.292, 3
lo: mol2, SDF, SMILES, flexibase
1.46,2.42,-37.23,6,6,1, 271.3, 3
lo: mol2, SDF, SMILES, flexibase
1.46,2.33,-38.8,6,6,1, 271.3, 3

Similar to: 8576869,
6450941
 
#40

eMolecules: 8605624
Molport: MolPort-002-937-546
AKOS: AKOS000265527
ChemDiv BuildingBlocks: BB50-0329
Innovapharm: STT-00360621...16 total

ref: mol2, SDF, SMILES, flexibase
4.31,1.36,-5.46,0,3,0, 254.264, 2

Similar to: 36888268,
32917269
 
#41

Alfa-Aesar: H51816
ChemDiv BuildingBlocks: BB50-0327
Enamine Building Blocks: EN300-97999
Molport BB: MolPort-013-349-211
Ryan Scientific BB: 047-80241...10 total

ref: mol2, SDF, SMILES, flexibase
1.12,1.62,-12.32,4,6,0, 251.286, 4

Similar to: 44241130, 44241136,
17970819
 
#42

ChemMol: 44009505, 42305460, 97801516, 96700948, 30110841
eMolecules: 835678
Scientific Exchange (make on demand): POD_14/0938, Z-044483
TCM Database @ Taiwan: tcm03_007230
Acorn PharmaTech: ACN-S003374...146 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.46,-10.77,1,3,0, 146.149, 0
hi: mol2, SDF, SMILES, flexibase
1.44,1.4,-44.99,0,3,-1, 145.141, 0

Similar to: 34604779,
32917265
 
#43

Molport: MolPort-015-137-829
ChemDiv BuildingBlocks: BB50-0323
Molport BB: MolPort-015-137-829
Zylexa Pharma BB: ZP-BB-CD006435
AKOS BB (make-on-demand): AKOS015935224...7 total

ref: mol2, SDF, SMILES, flexibase
2.20,7.56,-10.92,0,5,0, 265.272, 1
32917264
 
#44

Molport: MolPort-015-137-828
ChemDiv BuildingBlocks: BB50-0322
Molport BB: MolPort-015-137-828
Zylexa Pharma BB: ZP-BB-CD006434
AKOS BB (make-on-demand): AKOS015935223...7 total

ref: mol2, SDF, SMILES, flexibase
3.47,8.72,-10.23,0,3,0, 270.357, 1
32917249
 
#45

Molport: MolPort-015-137-819
ChemDiv BuildingBlocks: BB50-0309
Molport BB: MolPort-015-137-819
Zylexa Pharma BB: ZP-BB-CD006421
PubChem: 44121769...6 total

ref: mol2, SDF, SMILES, flexibase
2.53,5.2,-13.11,2,4,0, 290.388, 2

Similar to: 1536046,
13126614
 
#46

ChemMol: 44021682
eMolecules: 1173388, 33579803
Molport: MolPort-001-014-669
Scientific Exchange (make on demand): POD_49/0386
AK Scientific: Z2779...40 total

ref: mol2, SDF, SMILES, flexibase
2.93,3.72,-9.65,1,3,0, 222.247, 1
2085436
 
#47

eMolecules: 3985489
Molport: MolPort-001-539-569
AKOS: AKOS000264861
Alinda: IVK/8150445
ChemDiv BuildingBlocks: BB50-0301...24 total

ref: mol2, SDF, SMILES, flexibase
1.99,6.07,-12.38,1,5,0, 290.772, 7

Similar to: 32222816,
13483168
 
#48

eMolecules: 31256541, 32271490
Molport: MolPort-002-015-876, MolPort-008-427-880
ChemDiv BuildingBlocks: BB50-0299
Fluorochem: 317649
KeyOrganics: AS-5366...23 total

ref: mol2, SDF, SMILES, flexibase
2.09,5.85,-13.91,1,2,0, 188.255, 1
mid: mol2, SDF, SMILES, flexibase
2.81,5.7,-45.99,0,2,-1, 187.247, 1

Similar to: 39236981, 39304072, 39346859,
8701441
 
#49

Molport: MolPort-002-682-975
Scientific Exchange (make on demand): F-212016
AK Scientific: 0860AD
AKOS: AKOS000266645
Asinex: ASN17370594...25 total

ref: mol2, SDF, SMILES, flexibase
2.50,4.11,-6.64,3,4,0, 217.272, 3
mid: mol2, SDF, SMILES, flexibase
2.50,4.11,-30.48,4,4,1, 218.28, 3

Similar to: 26511785, 34975927,
32917210
 
#50

Molport: MolPort-015-137-806
ChemDiv BuildingBlocks: BB50-0280
Molport BB: MolPort-015-137-806
Zylexa Pharma BB: ZP-BB-CD006395
Ambinter: Amb10074152...5 total

ref: mol2, SDF, SMILES, flexibase
2.25,5.68,-6.19,1,2,0, 192.287, 1
32917208
 
#51

Molport: MolPort-015-137-805
ChemDiv BuildingBlocks: BB50-0278
Molport BB: MolPort-015-137-805
Zylexa Pharma BB: ZP-BB-CD006393
Ambinter: Amb10074151...5 total

ref: mol2, SDF, SMILES, flexibase
2.62,6.08,-5.85,1,2,0, 206.314, 1
18179314
 
#52

ChemMol: 30100749, 44021547
eMolecules: 731494, 593451, 2177182
Molport: MolPort-002-338-046, MolPort-002-497-901, MolPort-001-822-552
Scientific Exchange (make on demand): POD_59/0576
Scientific Exchange Building Blocks: H-096075...94 total

ref: mol2, SDF, SMILES, flexibase
1.34,4.9,-10.28,2,3,0, 204.254, 1
mid: mol2, SDF, SMILES, flexibase
1.79,3.58,-37.52,1,3,-1, 203.246, 1

Similar to: 34542231,
32917206
 
#53

Molport: MolPort-015-137-804
ChemDiv BuildingBlocks: BB50-0276
Molport BB: MolPort-015-137-804
Zylexa Pharma BB: ZP-BB-CD006391
PubChem: 44121753...6 total

ref: mol2, SDF, SMILES, flexibase
1.86,2.68,-12.95,1,3,0, 237.202, 2
hi: mol2, SDF, SMILES, flexibase
1.86,3.48,-47.51,0,3,-1, 236.194, 2
32917204
 
#54

Molport: MolPort-015-137-804
ChemDiv BuildingBlocks: BB50-0276
Molport BB: MolPort-015-137-804
Zylexa Pharma BB: ZP-BB-CD006391
PubChem: 44121753...6 total

ref: mol2, SDF, SMILES, flexibase
1.86,2.68,-12.93,1,3,0, 237.202, 2
hi: mol2, SDF, SMILES, flexibase
1.86,3.48,-47.54,0,3,-1, 236.194, 2
4784381
 
#55

ChemMol: 42300918
ChemDiv BuildingBlocks: BB50-0275
Molport BB: MolPort-002-743-946
Zylexa Pharma BB: ZP-BB-CD006390
ChemDB: 7972678...8 total

ref: mol2, SDF, SMILES, flexibase
2.62,2.45,-6.89,0,3,0, 189.214, 2

Similar to: 32006576, 32007753, 32009876, 32009880, 39956214, ... 6 in total.
170931
 
#56

eMolecules: 4414683
Molport: MolPort-002-556-865
ChemDiv BuildingBlocks: BB50-0266
IBScreen: STOCK1S-89535
Maybridge: KM09440...20 total

ref: mol2, SDF, SMILES, flexibase
2.17,-0.03,-6.68,1,3,0, 237.202, 2
170932
 
#57

eMolecules: 4414683
Molport: MolPort-002-556-865
ChemDiv BuildingBlocks: BB50-0266
IBScreen: STOCK1S-89535
Maybridge: KM09440...20 total

ref: mol2, SDF, SMILES, flexibase
2.17,-0.03,-6.62,1,3,0, 237.202, 2
3958451
 
#58

eMolecules: 1850989
Molport: MolPort-002-039-784
Scientific Exchange (make on demand): POD_35/0322
AK Scientific: 5055AB
AKOS: AKOS000266308...46 total

ref: mol2, SDF, SMILES, flexibase
1.66,3.87,-11.09,3,4,0, 186.218, 2

Similar to: 6666433, 39274805, 39383536,
394563
 
#59

ChemMol: 97804559, 44021359
eMolecules: 1941227
Molport: MolPort-001-682-993
AK Scientific: Z2742
AKOS: AKOS000266300...31 total

ref: mol2, SDF, SMILES, flexibase
2.56,2.42,-5.99,0,2,0, 159.188, 1

Similar to: 25757344, 32006576, 32007753, 32009627, 32009629, ... 12 in total.
32917157
 
#60

Molport: MolPort-015-137-785
ChemDiv BuildingBlocks: BB50-0242
Molport BB: MolPort-015-137-785
Zylexa Pharma BB: ZP-BB-CD006364
PubChem: 44121736...6 total

ref: mol2, SDF, SMILES, flexibase
2.15,0.91,-11.8,2,6,0, 297.314, 5
32917155
 
#61

Molport: MolPort-011-481-767
ChemDiv BuildingBlocks: BB50-0241
Molport BB: MolPort-011-481-767
Zylexa Pharma BB: ZP-BB-CD006363
AKOS BB (make-on-demand): AKOS010265142...9 total

ref: mol2, SDF, SMILES, flexibase
2.74,2.13,-9.97,2,5,0, 301.733, 4
1081481
 
#62

eMolecules: 717057
Molport: MolPort-001-760-907
AK Scientific: 8115AD
AKOS: AKOS000118710
Aldrich CPR: CDS009623|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
2.61,-1.58,-6.9,0,3,0, 229.066, 2

Similar to: 32100880, 32100882,
32917154
 
#63

Molport: MolPort-015-137-784
ChemDiv BuildingBlocks: BB50-0239
Molport BB: MolPort-015-137-784
Zylexa Pharma BB: ZP-BB-CD006361
PubChem: 44121734...6 total

ref: mol2, SDF, SMILES, flexibase
2.12,0.93,-11.71,2,6,0, 297.314, 5
163120
 
#64

Acros Organics: 35471
AK Scientific: 1716AB
AKOS: AKOS000123249
Anward: ANW-72246
Ark Pharm Building Blocks: AK-45693...34 total

ref: mol2, SDF, SMILES, flexibase
1.99,1.04,-8.5,0,4,0, 224.647, 3
16576866
 
#65

Molport: MolPort-004-314-002
Aldrich CPR: CDS005848|ALDRICH
Ark Pharm Building Blocks: AK108990
Chembo Pharma: KB-110579
ChemBridge BuildingBlocks: 9070662...17 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.02,-7.2,1,3,0, 198.653, 3
mid: mol2, SDF, SMILES, flexibase
1.86,0.33,-8.13,1,3,0, 198.653, 3

Similar to: 34659915, 37023073, 37023290, 37023300, 37023310, ... 17 in total.
390049
 
#66

eMolecules: 27511935, 678215
Molport: MolPort-001-839-131, MolPort-004-849-133
AK Scientific: HTS001712
Aldrich CPR: R818526|ALDRICH
Alinda Building Blocks: ALBB-028377...44 total

ref: mol2, SDF, SMILES, flexibase
1.91,-0.71,-9.49,1,3,0, 190.177, 1
32917144
 
#67

Molport: MolPort-013-795-597
ChemDiv BuildingBlocks: BB50-0230
Life Chemicals: F1967-0353
Mcule: MCULE-2525416836
Molport BB: MolPort-013-795-597...17 total

ref: mol2, SDF, SMILES, flexibase
1.33,2.54,-9.66,1,3,0, 178.216, 1
hi: mol2, SDF, SMILES, flexibase
1.79,1.72,-43.08,0,3,-1, 177.208, 1

Similar to: 39270595,
32917142
 
#68

ChemDiv BuildingBlocks: BB50-0229
Zylexa Pharma BB: ZP-BB-CD006351
PubChem: 44121728
ref: mol2, SDF, SMILES, flexibase
0.83,2.55,-13.44,3,6,0, 244.254, 3
32917139
 
#69

ChemDiv BuildingBlocks: BB50-0227
Zylexa Pharma BB: ZP-BB-CD006349
PubChem: 44121726
ref: mol2, SDF, SMILES, flexibase
1.94,4.38,-13.09,3,6,0, 263.297, 3
32917137
 
#70

Molport: MolPort-015-137-775
ChemDiv BuildingBlocks: BB50-0226
Molport BB: MolPort-015-137-775
Zylexa Pharma BB: ZP-BB-CD006348
AKOS BB (make-on-demand): AKOS015935329...6 total

ref: mol2, SDF, SMILES, flexibase
1.57,5.56,-11.74,0,8,0, 303.274, 5
32917135
 
#71

ChemDiv BuildingBlocks: BB50-0225
Zylexa Pharma BB: ZP-BB-CD006347
PubChem: 44121724
ref: mol2, SDF, SMILES, flexibase
0.69,2.73,-14.11,3,6,0, 221.216, 2
20943116
 
#72

Molport: MolPort-007-778-691
ChemDiv BuildingBlocks: BB50-0222
Mcule: MCULE-6931903516
Molport BB: MolPort-007-778-691
Princeton BioMolecular Research: OSSL_989543...9 total

ref: mol2, SDF, SMILES, flexibase
2.09,4.61,-11.19,1,5,0, 308.403, 2

Similar to: 21880972, 21887998, 7003371,
32917128
 
#73

ChemDiv BuildingBlocks: BB50-0217
Zylexa Pharma BB: ZP-BB-CD006341
Frontier (Depleted): 500055227
PubChem: 44121720
ref: mol2, SDF, SMILES, flexibase
0.90,1.43,-10.77,3,6,0, 255.661, 2
1717633
 
#74

Molport: MolPort-015-137-766
Chembo Pharma: KB-221441
ChemDiv BuildingBlocks: BB50-0205
Molport BB: MolPort-015-137-766
Zylexa Pharma BB: ZP-BB-CD006336...9 total

ref: mol2, SDF, SMILES, flexibase
3.49,3.92,-10.08,0,4,0, 295.338, 5

Similar to: 2901807, 3963252, 3963254, 3963255, 4546981, ... 19 in total.
12420214
 
#75

Aldrich CPR: S879428|ALDRICH
American Custom Chemicals Corp.: HCH0111277
ChemDiv BuildingBlocks: BB50-0204
Element Store BB: b2star-72030-11-6
Mcule: MCULE-3100936690...14 total

ref: mol2, SDF, SMILES, flexibase
4.52,3.43,-6.84,0,2,0, 269.731, 3

Similar to: 4546341, 75429,
213541
 
#76

eMolecules: 3486475
Molport: MolPort-004-114-163
AKOS: AKOS000265719
ChemDiv BuildingBlocks: BB50-0194
Enamine: Z30624919...21 total

ref: mol2, SDF, SMILES, flexibase
2.50,8.54,-14.37,0,4,0, 281.311, 1
213542
 
#77

eMolecules: 3486475
Molport: MolPort-004-114-163
AKOS: AKOS000265719
ChemDiv BuildingBlocks: BB50-0194
Enamine: Z30624919...21 total

ref: mol2, SDF, SMILES, flexibase
2.50,0.55,-14.39,0,4,0, 281.311, 1
32917100
 
#78

Molport: MolPort-015-137-758
Alinda Building Blocks: ALBB-021446
ChemDiv BuildingBlocks: BB50-0180
Molport BB: MolPort-015-137-758
Zylexa Pharma BB: ZP-BB-CD006320...7 total

ref: mol2, SDF, SMILES, flexibase
2.35,6.8,-6.89,0,2,0, 254.127, 1

Similar to: 34421279,
3888184
 
#79

ChemMol: 44010477
eMolecules: 45480972
Molport: MolPort-002-467-218
Scientific Exchange (make on demand): M-624909
A&J Pharmtech: AJ-00264...45 total

ref: mol2, SDF, SMILES, flexibase
3.07,0.1,-7.25,0,3,0, 208.648, 2

Similar to: 580813, 165493,
580813
 
#80

ChemMol: 44010476
eMolecules: 725936
Scientific Exchange (make on demand): POD_17/0204
A&J Pharmtech: AJ-00261, AJ-00260
Acros Organics: RF01832...74 total

ref: mol2, SDF, SMILES, flexibase
2.62,-0.23,-7.44,0,3,0, 194.621, 2

Similar to: 3888184, 165493,
12339621
 
#81

ChemMol: 83603285
eMolecules: 720176
Molport: MolPort-002-507-896
Acros Organics: CC09214
AK Scientific: Y4427...62 total

ref: mol2, SDF, SMILES, flexibase
1.09,0.4,-7.42,2,3,0, 151.194, 0
161237
 
#82

ChemMol: 44010930, 83602616
eMolecules: 477763
Scientific Exchange (make on demand): E-068755
AK Scientific: K992
AKOS: AKOS000111093...76 total

ref: mol2, SDF, SMILES, flexibase
1.47,0.56,-5.62,2,3,0, 151.194, 0

Similar to: 38234171,
158119
 
#83

eMolecules: 724000
Scientific Exchange: L16/V-082
Acros Organics: BTB13048
AK Scientific: Y4038
AKOS: AKOS000309875...57 total

ref: mol2, SDF, SMILES, flexibase
1.33,1.22,-6.2,2,4,0, 135.126, 0
152293
 
#84

ChemMol: 30115011, 1033459, 44015542
AK Scientific: 5319AD
Aldrich CPR: T341584|ALDRICH
Alfa-Aesar: L09850
Alinda Building Blocks: ALBB-021304...34 total

ref: mol2, SDF, SMILES, flexibase
3.27,3.25,-3.28,0,2,0, 221.565, 2
2529037
 
#85

Alinda Building Blocks: ALBB-007569
ChemDiv BuildingBlocks: BB01-6139
Fluorochem: 367194
Matrix Scientific: 038710
Mcule: MCULE-5309824998...15 total

ref: mol2, SDF, SMILES, flexibase
1.48,4.03,-6.92,0,4,0, 205.213, 5

Similar to: 4268852, 4268856, 4268882,
4268882
 
#86

Alinda Building Blocks: ALBB-007569
ChemDiv BuildingBlocks: BB01-6139
Fluorochem: 367194
Matrix Scientific: 038710
Mcule: MCULE-5309824998...15 total

ref: mol2, SDF, SMILES, flexibase
1.48,4.02,-6.93,0,4,0, 205.213, 5

Similar to: 4268852, 4268856, 2529037,
2389320
 
#87

ChemMol: 44015543, 1033462
Acros Organics: 42823
AK Scientific: 0315AF
Alinda Building Blocks: ALBB-003021
Angene Building Blocks: AGN-PC-0KKZGL...36 total

ref: mol2, SDF, SMILES, flexibase
2.02,2.51,-1.75,0,2,0, 155.103, 1
19737280
 
#88

AK Scientific: 1084AF
Alinda Building Blocks: ALBB-003020
Capot Chemical: 24081
ChemDiv BuildingBlocks: BB01-6137
Fluorochem: 365575...13 total

ref: mol2, SDF, SMILES, flexibase
2.11,2.7,-3.25,0,2,0, 173.093, 1
2170350
 
#89

AK Scientific: 8244AE
Alfa-Aesar: L09957
Alinda Building Blocks: ALBB-003031
Anward: ANW-35641
Chembo Pharma: KB-190195...29 total

ref: mol2, SDF, SMILES, flexibase
3.63,1.75,-2.16,0,2,0, 175.231, 4

Similar to: 34423898, 34593355,
3676530
 
#90

AK Scientific: 9336AE
AKOS: AKOS000160413
Alinda Building Blocks: ALBB-005926
ChemDiv BuildingBlocks: BB01-6126
Enamine Building Blocks: EN300-37494...25 total

ref: mol2, SDF, SMILES, flexibase
1.61,-4.34,-4.61,3,3,0, 152.197, 3

Similar to: 32191565,
91944
 
#91

eMolecules: 703672, 2719917
Molport: MolPort-002-713-103
ACB Blocks: AHY-0035
AK Scientific: 3391AD
AKOS: AKOS001475849...45 total

ref: mol2, SDF, SMILES, flexibase
1.57,2.5,-4.09,3,3,0, 152.197, 3
lo: mol2, SDF, SMILES, flexibase
1.57,2.31,-42.65,4,3,1, 153.205, 3

Similar to: 32006401, 34446293,
1569910
 
#92

ChemMol: 44026875
eMolecules: 3475214
Molport: MolPort-003-991-813
ACT Chemical BB: ACT08057
AK Scientific: W5966...52 total

ref: mol2, SDF, SMILES, flexibase
1.21,1.47,-4.81,3,3,0, 138.17, 2

Similar to: 32006488, 32191565, 34599198,
78213
 
#93

ChemMol: 1031063, 44014899, 30106385, 1201826
eMolecules: 626459, 46473275, 703679
Molport: MolPort-002-023-616, MolPort-016-636-012
ACB Blocks: AHY-0040
ACT Chemical BB: ACT12535...121 total

ref: mol2, SDF, SMILES, flexibase
1.19,1.57,-4.29,3,3,0, 138.17, 2

Similar to: 5734376, 32006488, 34599198,
1574328
 
#94

ChemMol: 83603550, 1037589
eMolecules: 889769
Acorn PharmaTech: ACN-S002504
Aldrich CPR: S373257|ALDRICH
Alfa-Aesar: L09870...38 total

ref: mol2, SDF, SMILES, flexibase
3.33,2.52,-7.12,0,3,0, 256.088, 2
4013051
 
#95

ChemMol: 44010223, 1200859, 1036978, 98000674
eMolecules: 477099
Acros Organics: 40093
AK Scientific: L641
AKOS: AKOS000268898...76 total

ref: mol2, SDF, SMILES, flexibase
0.56,0.47,-4.16,3,2,0, 137.182, 2

Similar to: 32145489, 34333791, 2583499,
153109
 
#96

ChemMol: 1201295, 44004657, 83603685, 44009695, 30105522, 1202551, 98000928, 1031035, 98001261, 1031036
eMolecules: 1012340, 483284
Acorn PharmaTech: ACN-000258
Acros Organics: 16705
ACT Chemical BB: ACT00607...122 total

ref: mol2, SDF, SMILES, flexibase
1.30,2.26,-3.83,3,2,0, 126.134, 1
56837
 
#97

ChemMol: 1037336, 97801180, 30110605, 1200259, 44009012, 98001734
AK Scientific: X2721
AKOS: AKOS005216079
Alfa-Aesar: B22925
Angene Building Blocks: AGN-PC-0JUYKQ...58 total

ref: mol2, SDF, SMILES, flexibase
3.23,3.66,-6.31,0,1,0, 208.566, 2

Similar to: 34365058, 34365060, 34575097,
58121
 
#98

ChemMol: 96700200, 44010813, 30100402
eMolecules: 529222
Acros Organics: 15638
AK Scientific: H721
AKOS: AKOS000119370...160 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.72,-12.48,1,3,0, 176.171, 0

Similar to: 34480190, 39240381,
4807217
 
#99

Amidohydrolase AH-EFI: 6-chloropurine
ChemMol: 44010812, 96700141, 30100937, 96707783, 42303019, 97801045, 1201508, 83603222
eMolecules: 484293
Scientific Exchange (make on demand): M-982273
Acros Organics: 17128...130 total

ref: mol2, SDF, SMILES, flexibase
0.62,3.6,-11.24,1,4,0, 154.56, 0
mid: mol2, SDF, SMILES, flexibase
0.62,3.12,-32.55,0,4,-1, 153.552, 0
152965
 
#100

ChemMol: 1031076, 44003120, 30103225
eMolecules: 2729718, 723588
Acros Organics: BTB06645
ACT Chemical BB: ACT04869
AK Scientific: P252...116 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-2.86,-11.31,5,5,0, 187.224, 2

Similar to: 34550793,

Old detail retrieval took 2 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 336 ) limit 0,100

Smiles were