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148590
 
#1

eMolecules: 27021611
Molport: MolPort-007-569-892
AKOS: AKOS001680851, AKOS002321021
ChemDiv: 6197-5084
Innovapharm: STT-00229457...20 total

ref: mol2, SDF, SMILES, flexibase
5.26,-0.62,-8.76,0,3,0, 346.817, 3

Similar to: 16663379, 16666795, 16695889,
1108549
 
#2

eMolecules: 26518478
Molport: MolPort-002-264-001
AKOS: AKOS001686830
ChemDiv: 6212-0004
Mcule: MCULE-3648369437...10 total

ref: mol2, SDF, SMILES, flexibase
3.00,10.35,-16.15,0,6,0, 405.429, 3
148594
 
#3

Otava: 7014740102
TimTec Make-on-Demand: ST50325387
AKOS (Depleted): AKOS002321022
AKOS BB (make-on-demand): AKOS001680920
ChemDB: 6147341...15 total

ref: mol2, SDF, SMILES, flexibase
5.76,0.7,-8.8,0,3,0, 335.79, 3
1892421
 
#4

eMolecules: 9866543
Molport: MolPort-007-569-956
AKOS: AKOS002316842, AKOS001680857
ChemDiv: 6197-5239
Innovapharm: STT-00284771...18 total

ref: mol2, SDF, SMILES, flexibase
4.71,-2.21,-9.12,1,3,0, 293.366, 4
1122483
 
#5

eMolecules: 25954284
Molport: MolPort-002-246-508
AKOS: AKOS000354977
ChemBridge: 7345283
ChemDiv: 6188-0092...15 total

ref: mol2, SDF, SMILES, flexibase
3.87,0.83,-13.98,1,6,0, 374.853, 5

Similar to: 38758343,
1916581
 
#6

Otava: 7014740003
AKOS (Depleted): AKOS002350568
AKOS BB (make-on-demand): AKOS001680847
ChemDB: 7928263, 6835161
PubChem: 22693865...11 total

ref: mol2, SDF, SMILES, flexibase
5.25,-0.97,-8.87,0,3,0, 319.404, 3

Similar to: 1961652, 1961654, 12128562, 12128567, ... 4 in total.
1916577
 
#7

Otava: 7014740003
AKOS (Depleted): AKOS002350568
AKOS BB (make-on-demand): AKOS001680847
ChemDB: 7928263, 6835161
PubChem: 22693865...11 total

ref: mol2, SDF, SMILES, flexibase
5.25,-0.86,-9.87,0,3,0, 319.404, 3

Similar to: 1961652, 1961654, 12128562, 12128567, ... 4 in total.
12374217
 
#8

Otava: 7014740108
TimTec Make-on-Demand: ST51063274
AKOS (Depleted): AKOS002350690
ChemDB: 6147343, 6761109
Innovapharm (Depleted): STT-00307047...14 total

ref: mol2, SDF, SMILES, flexibase
5.48,-1.41,-7.77,0,3,0, 339.822, 3

Similar to: 1961652, 1961654, 6097925,
12374218
 
#9

Otava: 7014740108
TimTec Make-on-Demand: ST51063274
AKOS (Depleted): AKOS002350690
ChemDB: 6147343, 6761109
Innovapharm (Depleted): STT-00307047...14 total

ref: mol2, SDF, SMILES, flexibase
5.48,-1.33,-9.11,0,3,0, 339.822, 3

Similar to: 1961652, 1961654, 6097925,
1121144
 
#10

eMolecules: 25953948
Molport: MolPort-002-246-022
AKOS: AKOS000355003
ChemBridge: 7333664
ChemDiv: 6188-0015...12 total

ref: mol2, SDF, SMILES, flexibase
1.84,2.87,-14.85,1,8,0, 360.805, 4
1916596
 
#11

eMolecules: 5951243
Molport: MolPort-007-569-871
AKOS: AKOS002320963, AKOS001680508
ChemDiv: 6197-4998
Innovapharm: STT-00284700...16 total

ref: mol2, SDF, SMILES, flexibase
4.51,-2.3,-9.54,1,3,0, 293.366, 4

Similar to: 6131581, 6131582,
4182569
 
#12

eMolecules: 27021571
Molport: MolPort-007-569-861
AKOS: AKOS001684237
ChemDiv: 6190-0436
Mcule: MCULE-8254036789...7 total

ref: mol2, SDF, SMILES, flexibase
3.36,0.96,-5.47,5,8,0, 358.446, 5
1916651
 
#13

eMolecules: 27021597
Molport: MolPort-007-569-880
AKOS: AKOS002320968, AKOS001680848
ChemDiv: 6197-5042
Innovapharm: STT-00284705...15 total

ref: mol2, SDF, SMILES, flexibase
5.22,-1.23,-7.14,0,3,0, 358.235, 4
530971
 
#14

eMolecules: 2577377
Molport: MolPort-001-001-241
Scientific Exchange Building Blocks: M-283901
AK Scientific: 6386AE
AKOS: AKOS000224931...32 total

ref: mol2, SDF, SMILES, flexibase
1.58,0.83,-9.41,3,4,0, 193.231, 1

Similar to: 8726781,
3642176
 
#15

eMolecules: 7684366
AKOS: AKOS003406437
Alinda: IVK/0056050
Mcule: MCULE-6442328120
Vitas-M: STK409705...9 total

ref: mol2, SDF, SMILES, flexibase
4.23,11.08,-17.41,2,7,0, 440.503, 6
lo: mol2, SDF, SMILES, flexibase
4.23,11.12,-37.62,3,7,1, 441.511, 6

Similar to: 3642172,
3642172
 
#16

eMolecules: 7684366
AKOS: AKOS003406437
Alinda: IVK/0056050
Mcule: MCULE-6442328120
Vitas-M: STK409705...9 total

ref: mol2, SDF, SMILES, flexibase
4.23,11.13,-17.21,2,7,0, 440.503, 6
lo: mol2, SDF, SMILES, flexibase
4.23,11.25,-37.53,3,7,1, 441.511, 6

Similar to: 3642176,
919775
 
#17

eMolecules: 37115755, 1437978
Molport: MolPort-020-177-729
AKOS: AKOS000555377
Asinex: BAS03612397
ChemBridge: 7642108...18 total

ref: mol2, SDF, SMILES, flexibase
4.25,10.44,-16.78,2,8,0, 498.509, 6
919770
 
#18

eMolecules: 1437978
AKOS: AKOS000555377
Asinex: BAS03612397
ChemBridge: 7642108
ChemDiv: 6466-1063...14 total

ref: mol2, SDF, SMILES, flexibase
4.25,10.2,-17.91,2,8,0, 498.509, 6
919772
 
#19

eMolecules: 1437978
AKOS: AKOS000555377
Asinex: BAS03612397
ChemBridge: 7642108
ChemDiv: 6466-1063...14 total

ref: mol2, SDF, SMILES, flexibase
4.25,10.19,-18.06,2,8,0, 498.509, 6
919768
 
#20

eMolecules: 1437978
AKOS: AKOS000555377
Asinex: BAS03612397
ChemBridge: 7642108
ChemDiv: 6466-1063...14 total

ref: mol2, SDF, SMILES, flexibase
4.25,10.44,-16.3,2,8,0, 498.509, 6
900694
 
#21

eMolecules: 1419533
Molport: MolPort-001-988-743
AKOS: AKOS000557832
Asinex: BAS03153352
ChemDiv: 6466-0492...13 total

ref: mol2, SDF, SMILES, flexibase
3.25,9.18,-17.11,2,7,0, 456.493, 7
900691
 
#22

eMolecules: 1419533
Molport: MolPort-001-988-743
AKOS: AKOS000557832
Asinex: BAS03153352
ChemDiv: 6466-0492...13 total

ref: mol2, SDF, SMILES, flexibase
3.25,8.45,-17.69,2,7,0, 456.493, 7
900686
 
#23

eMolecules: 1419533
Molport: MolPort-001-988-743
AKOS: AKOS000557832
Asinex: BAS03153352
ChemDiv: 6466-0492...13 total

ref: mol2, SDF, SMILES, flexibase
3.25,8.46,-14.93,2,7,0, 456.493, 7
900684
 
#24

eMolecules: 1419533
Molport: MolPort-001-988-743
AKOS: AKOS000557832
Asinex: BAS03153352
ChemDiv: 6466-0492...13 total

ref: mol2, SDF, SMILES, flexibase
3.25,9.19,-13.1,2,7,0, 456.493, 7
918532
 
#25

eMolecules: 37115653, 1437824
Molport: MolPort-001-993-152, MolPort-020-177-676
AKOS: AKOS000555947
Asinex: BAS03612175
ChemDiv: 6466-0991...18 total

ref: mol2, SDF, SMILES, flexibase
2.73,6.35,-14.41,2,8,0, 450.417, 7

Similar to: 918527, 918529, 918530,
918529
 
#26

eMolecules: 1437824
Molport: MolPort-001-993-152
AKOS: AKOS000555947
Asinex: BAS03612175
ChemDiv: 6466-0991...14 total

ref: mol2, SDF, SMILES, flexibase
2.73,6.1,-16.2,2,8,0, 450.417, 7

Similar to: 918530, 918532, 918527,
918530
 
#27

eMolecules: 1437824
Molport: MolPort-001-993-152
AKOS: AKOS000555947
Asinex: BAS03612175
ChemDiv: 6466-0991...14 total

ref: mol2, SDF, SMILES, flexibase
2.73,6.11,-16.14,2,8,0, 450.417, 7

Similar to: 918532, 918527, 918529,
918527
 
#28

eMolecules: 1437824
Molport: MolPort-001-993-152
AKOS: AKOS000555947
Asinex: BAS03612175
ChemDiv: 6466-0991...14 total

ref: mol2, SDF, SMILES, flexibase
2.73,6.35,-14.56,2,8,0, 450.417, 7

Similar to: 918529, 918530, 918532,
919793
 
#29

eMolecules: 1437982
Molport: MolPort-001-993-209
AKOS: AKOS000555440
Asinex: BAS03612401
Mcule: MCULE-1387958081...14 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.7,-17.31,2,8,0, 474.418, 6

Similar to: 3645209,
919791
 
#30

eMolecules: 1437982
Molport: MolPort-001-993-209
AKOS: AKOS000555440
Asinex: BAS03612401
Mcule: MCULE-1387958081...14 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.44,-18.6,2,8,0, 474.418, 6

Similar to: 3645209,
919789
 
#31

eMolecules: 1437982
Molport: MolPort-001-993-209
AKOS: AKOS000555440
Asinex: BAS03612401
Mcule: MCULE-1387958081...14 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.44,-18.6,2,8,0, 474.418, 6

Similar to: 3645209,
3645209
 
#32

eMolecules: 1437982, 37115757
Molport: MolPort-020-177-730, MolPort-001-993-209
AKOS: AKOS000555440
Asinex: BAS03612401
Mcule: MCULE-1948924994...18 total

ref: mol2, SDF, SMILES, flexibase
3.52,8.7,-17.37,2,8,0, 474.418, 6

Similar to: 919789, 919791, 919793,
3645183
 
#33

eMolecules: 37115665, 1437838
Molport: MolPort-001-993-158, MolPort-020-177-682
AKOS: AKOS000556026
Asinex: BAS03612186
Mcule: MCULE-3767482451...17 total

ref: mol2, SDF, SMILES, flexibase
3.54,7.23,-13.79,2,7,0, 434.418, 7

Similar to: 918624, 918627, 918630,
918627
 
#34

eMolecules: 1437838
Molport: MolPort-001-993-158
AKOS: AKOS000556026
Asinex: BAS03612186
Mcule: MCULE-3767482451...13 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.99,-15.25,2,7,0, 434.418, 7

Similar to: 3645183,
918630
 
#35

eMolecules: 1437838
Molport: MolPort-001-993-158
AKOS: AKOS000556026
Asinex: BAS03612186
Mcule: MCULE-3767482451...13 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.98,-15.28,2,7,0, 434.418, 7

Similar to: 3645183,
918624
 
#36

eMolecules: 1437838
Molport: MolPort-001-993-158
AKOS: AKOS000556026
Asinex: BAS03612186
Mcule: MCULE-3767482451...13 total

ref: mol2, SDF, SMILES, flexibase
3.54,7.23,-13.76,2,7,0, 434.418, 7

Similar to: 3645183,
18209724
 
#37

eMolecules: 1437942
AKOS: AKOS000555503
Mcule: MCULE-5299217779
Otava: 7216661044
Princeton BioMolecular Research: OSSL_058128...17 total

ref: mol2, SDF, SMILES, flexibase
3.45,9.93,-14.57,2,8,0, 456.428, 5
hi: mol2, SDF, SMILES, flexibase
3.69,8.74,-42.19,2,8,0, 456.428, 5
18209730
 
#38

eMolecules: 1437942
AKOS: AKOS000555503
Mcule: MCULE-5299217779
Otava: 7216661044
Princeton BioMolecular Research: OSSL_058128...17 total

ref: mol2, SDF, SMILES, flexibase
3.45,9.68,-15.93,2,8,0, 456.428, 5
hi: mol2, SDF, SMILES, flexibase
3.69,8.66,-43.11,2,8,0, 456.428, 5
18209728
 
#39

eMolecules: 1437942
AKOS: AKOS000555503
Mcule: MCULE-5299217779
Otava: 7216661044
Princeton BioMolecular Research: OSSL_058128...17 total

ref: mol2, SDF, SMILES, flexibase
3.45,9.68,-16.01,2,8,0, 456.428, 5
hi: mol2, SDF, SMILES, flexibase
3.69,8.65,-43.23,2,8,0, 456.428, 5
18209733
 
#40

eMolecules: 1437942
AKOS: AKOS000555503
Mcule: MCULE-5299217779
Otava: 7216661044
Princeton BioMolecular Research: OSSL_058128...17 total

ref: mol2, SDF, SMILES, flexibase
3.45,9.92,-14.3,2,8,0, 456.428, 5
hi: mol2, SDF, SMILES, flexibase
3.69,8.73,-42.35,2,8,0, 456.428, 5
3645203
 
#41

eMolecules: 1437956
Molport: MolPort-001-993-200
AKOS: AKOS000555631
Asinex: BAS03612330
ChemDiv: 6466-1054...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.37,-14.51,2,8,0, 422.411, 6

Similar to: 3645202, 919701, 919703,
919701
 
#42

eMolecules: 1437956
Molport: MolPort-001-993-200
AKOS: AKOS000555631
Asinex: BAS03612330
ChemDiv: 6466-1054...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.13,-15.99,2,8,0, 422.411, 6

Similar to: 3645202, 3645203,
919703
 
#43

eMolecules: 1437956
Molport: MolPort-001-993-200
AKOS: AKOS000555631
Asinex: BAS03612330
ChemDiv: 6466-1054...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.13,-16.14,2,8,0, 422.411, 6

Similar to: 3645202, 3645203,
3645202
 
#44

eMolecules: 1437956
Molport: MolPort-001-993-200
AKOS: AKOS000555631
Asinex: BAS03612330
ChemDiv: 6466-1054...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,6.37,-14.16,2,8,0, 422.411, 6

Similar to: 3645203, 919701, 919703,
919740
 
#45

eMolecules: 1437970
Molport: MolPort-001-993-204
AKOS: AKOS000555250
Asinex: BAS03612391
ChemDiv: 6466-1059...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,10.32,-15.64,2,8,0, 470.455, 6
919736
 
#46

eMolecules: 1437970
Molport: MolPort-001-993-204
AKOS: AKOS000555250
Asinex: BAS03612391
ChemDiv: 6466-1059...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,10.08,-17.54,2,8,0, 470.455, 6
919737
 
#47

eMolecules: 1437970
Molport: MolPort-001-993-204
AKOS: AKOS000555250
Asinex: BAS03612391
ChemDiv: 6466-1059...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,10.08,-17.57,2,8,0, 470.455, 6
919733
 
#48

eMolecules: 1437970
Molport: MolPort-001-993-204
AKOS: AKOS000555250
Asinex: BAS03612391
ChemDiv: 6466-1059...14 total

ref: mol2, SDF, SMILES, flexibase
4.00,10.32,-15.7,2,8,0, 470.455, 6
883981
 
#49

eMolecules: 1404274
Molport: MolPort-001-985-117
AKOS: AKOS000557664
Asinex: BAS02862971
ChemBridge: 7676189...17 total

ref: mol2, SDF, SMILES, flexibase
3.16,8.22,-9.56,1,6,0, 369.343, 6
883977
 
#50

eMolecules: 1404274
Molport: MolPort-001-985-117
AKOS: AKOS000557664
Asinex: BAS02862971
ChemBridge: 7676189...17 total

ref: mol2, SDF, SMILES, flexibase
3.16,7.5,-10.02,1,6,0, 369.343, 6
883979
 
#51

eMolecules: 1404274
Molport: MolPort-001-985-117
AKOS: AKOS000557664
Asinex: BAS02862971
ChemBridge: 7676189...17 total

ref: mol2, SDF, SMILES, flexibase
3.16,7.49,-10.08,1,6,0, 369.343, 6
883932
 
#52

eMolecules: 1404274
Molport: MolPort-001-985-117
AKOS: AKOS000557664
Asinex: BAS02862971
ChemBridge: 7676189...17 total

ref: mol2, SDF, SMILES, flexibase
3.16,8.21,-9.58,1,6,0, 369.343, 6
9546419
 
#53

AKOS: AKOS001688970
SMDC CDiv Diverse: 159196
ref: mol2, SDF, SMILES, flexibase
2.98,4.59,-11.97,2,8,0, 408.849, 6
9546428
 
#54

SMDC CDiv Diverse: 159237
AKOS (make-on-demand): AKOS001689681
ref: mol2, SDF, SMILES, flexibase
1.38,1.18,-11.88,2,9,0, 388.815, 5

Similar to: 9546429,
9546429
 
#55

SMDC CDiv Diverse: 159237
AKOS (make-on-demand): AKOS001689681
ref: mol2, SDF, SMILES, flexibase
1.38,1.18,-13.1,2,9,0, 388.815, 5

Similar to: 9546428,
13122043
 
#56

eMolecules: 25829743
Molport: MolPort-002-011-294, MolPort-019-778-994
AKOS: AKOS000671412
Asinex: BAS07567252
ChemDiv: 6774-0009...17 total

ref: mol2, SDF, SMILES, flexibase
3.36,6.17,-14,2,7,0, 353.378, 6
mid: mol2, SDF, SMILES, flexibase
3.36,6.94,-50.55,1,7,-1, 352.37, 6

Similar to: 11445661,
4497979
 
#57

eMolecules: 25829745
Molport: MolPort-001-683-001
AKOS: AKOS000671444
Asinex: BAS07567254
ChemBridge: 7776857...16 total

ref: mol2, SDF, SMILES, flexibase
3.44,6.18,-9.82,2,4,0, 269.329, 3
mid: mol2, SDF, SMILES, flexibase
3.44,6.96,-50.44,1,4,-1, 268.321, 3
17784078
 
#58

eMolecules: 30405788, 2207611
AKOS: AKOS002164196
IBScreen: STOCK3S-46381
Innovapharm: STT-00014734
Life Chemicals: F3139-0291...17 total

ref: mol2, SDF, SMILES, flexibase
2.81,2.29,-12.27,3,6,0, 326.352, 4
mid: mol2, SDF, SMILES, flexibase
2.81,2.35,-11.26,3,6,0, 326.352, 4
hi: mol2, SDF, SMILES, flexibase
2.81,2.99,-54.91,2,6,-1, 325.344, 4
hi: mol2, SDF, SMILES, flexibase
2.81,3.11,-46.44,2,6,-1, 325.344, 4

Similar to: 5156892,
4281861
 
#59

eMolecules: 26382090
Molport: MolPort-002-666-047
AKOS: AKOS001691348
IBScreen: STOCK6S-10061
Mcule: MCULE-8578139450...15 total

ref: mol2, SDF, SMILES, flexibase
2.74,7.64,-10.98,3,6,0, 294.314, 3
hi: mol2, SDF, SMILES, flexibase
2.74,8.41,-49.85,2,6,-1, 293.306, 3
8740868
 
#60

eMolecules: 4788370
Molport: MolPort-000-835-165
AKOS: AKOS001690235
IBScreen NP: STOCK1N-11898
Innovapharm: STT-00014908...23 total

ref: mol2, SDF, SMILES, flexibase
4.38,4.7,-9,3,6,0, 366.417, 4
ref: mol2, SDF, SMILES, flexibase
4.38,4.54,-10.57,3,6,0, 366.417, 4
hi: mol2, SDF, SMILES, flexibase
4.38,5.36,-48.34,2,6,-1, 365.409, 4
8738802
 
#61

eMolecules: 4785677
AKOS: AKOS001689059
IBScreen NP: STOCK1N-06661
Innovapharm: STT-00072327
Life Chemicals: F0196-1319...18 total

ref: mol2, SDF, SMILES, flexibase
4.05,5.86,-10.5,2,6,0, 366.417, 4
mid: mol2, SDF, SMILES, flexibase
4.05,6.7,-48.02,1,6,-1, 365.409, 4
hi: mol2, SDF, SMILES, flexibase
4.05,6.64,-55.93,1,6,-1, 365.409, 4

Similar to: 34222237,
19325291
 
#62

eMolecules: 206909756
Molport: MolPort-002-731-457, MolPort-003-965-055
BioBlocks: A3666/0155398
Chemical Block: A3666/0155398
Vitas-M: STK870366...12 total

ref: mol2, SDF, SMILES, flexibase
3.24,7.06,-3.44,0,3,0, 295.43, 1
19323094
 
#63

eMolecules: 206976366
Molport: MolPort-002-513-066, MolPort-001-983-431
AKOS: AKOS000589120
Asinex: BAS02788336
IBScreen NP: STOCK1N-21244...21 total

ref: mol2, SDF, SMILES, flexibase
1.90,3.5,-5.11,0,4,0, 292.423, 1

Similar to: 39951359,
19323097
 
#64

eMolecules: 206976366
Molport: MolPort-002-513-066, MolPort-001-983-431
AKOS: AKOS000589120
Asinex: BAS02788336
IBScreen NP: STOCK1N-21244...21 total

ref: mol2, SDF, SMILES, flexibase
1.90,3.52,-5.05,0,4,0, 292.423, 1

Similar to: 39951359,
612710
 
#65

eMolecules: 1525674
Molport: MolPort-001-684-228
AKOS: AKOS000598311
ChemBridge: 7851149
Mcule: MCULE-6408187362...11 total

ref: mol2, SDF, SMILES, flexibase
3.21,4.76,-8.64,1,3,0, 274.217, 3

Similar to: 4786712, 13122690,
652593
 
#66

eMolecules: 842501
AKOS: AKOS000305826
Alinda Building Blocks: ALBB-010011
ChemDiv BuildingBlocks: BB55-4140
Fluorochem: 027179...24 total

ref: mol2, SDF, SMILES, flexibase
3.81,9.45,-9.92,1,5,0, 373.762, 5

Similar to: 2781060, 2781061, 2781062, 2781063, 2783463, ... 11 in total.
652589
 
#67

eMolecules: 842501
AKOS: AKOS000305826
Alinda Building Blocks: ALBB-010011
ChemDiv BuildingBlocks: BB55-4140
Fluorochem: 027179...24 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.73,-10.98,1,5,0, 373.762, 5

Similar to: 652591, 652593, 2781060, 2781061, 2781062, ... 11 in total.
652591
 
#68

eMolecules: 842501
AKOS: AKOS000305826
Alinda Building Blocks: ALBB-010011
ChemDiv BuildingBlocks: BB55-4140
Fluorochem: 027179...24 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.72,-10.97,1,5,0, 373.762, 5

Similar to: 652593, 2781060, 2781061, 2781062, 2781063, ... 11 in total.
652587
 
#69

eMolecules: 842501
AKOS: AKOS000305826
Alinda Building Blocks: ALBB-010011
ChemDiv BuildingBlocks: BB55-4140
Fluorochem: 027179...24 total

ref: mol2, SDF, SMILES, flexibase
3.81,9.44,-9.88,1,5,0, 373.762, 5

Similar to: 652589, 652591, 652593, 2781060, 2781061, ... 11 in total.
1429448
 
#70

ChemDB: 5866854
SMDC CDiv Diverse: 160355
ref: mol2, SDF, SMILES, flexibase
0.62,1.15,-9.92,3,7,0, 258.237, 1
18209853
 
#71

eMolecules: 1404382
Molport: MolPort-001-603-014
AKOS: AKOS000557579
Asinex: BAS02863042
Mcule: MCULE-4133863566...19 total

ref: mol2, SDF, SMILES, flexibase
3.33,7.05,-10.7,2,6,0, 396.413, 5
18209856
 
#72

eMolecules: 1404382
Molport: MolPort-001-603-014
AKOS: AKOS000557579
Asinex: BAS02863042
Mcule: MCULE-4133863566...19 total

ref: mol2, SDF, SMILES, flexibase
3.33,6.33,-10.94,2,6,0, 396.413, 5
18209847
 
#73

eMolecules: 1404382
Molport: MolPort-001-603-014
AKOS: AKOS000557579
Asinex: BAS02863042
Mcule: MCULE-4133863566...19 total

ref: mol2, SDF, SMILES, flexibase
3.33,6.32,-10.91,2,6,0, 396.413, 5
18209850
 
#74

eMolecules: 1404382, 37115799
Molport: MolPort-020-177-771, MolPort-001-603-014
AKOS: AKOS000557579
Asinex: BAS02863042
Mcule: MCULE-4133863566...23 total

ref: mol2, SDF, SMILES, flexibase
3.33,7.04,-10.66,2,6,0, 396.413, 5
9593672
 
#75

eMolecules: 1437968, 37115813
Molport: MolPort-020-177-778, MolPort-001-993-203
AKOS: AKOS000555725
Asinex: BAS03612380
ChemBridge: 7914234...17 total

ref: mol2, SDF, SMILES, flexibase
3.56,-2.98,-15.82,4,8,0, 493.511, 5

Similar to: 9593675, 674917, 4177392, 4177395, 8926731, ... 8 in total.
1071445
 
#76

eMolecules: 1437968, 37115813
Molport: MolPort-020-177-778, MolPort-001-993-203
AKOS: AKOS000555725
Asinex: BAS03612380
ChemBridge: 7914234...17 total

ref: mol2, SDF, SMILES, flexibase
3.56,-2.98,-15.75,4,8,0, 493.511, 5

Similar to: 4177392, 4177395, 8926731, 9593672, 9593675, ... 6 in total.
9593675
 
#77

eMolecules: 1437968
Molport: MolPort-001-993-203
AKOS: AKOS000555725
Asinex: BAS03612380
ChemBridge: 7914234...13 total

ref: mol2, SDF, SMILES, flexibase
3.56,5.75,-17.33,4,8,0, 493.511, 5
hi: mol2, SDF, SMILES, flexibase
3.81,4.5,-39.85,4,8,0, 493.511, 5
hi: mol2, SDF, SMILES, flexibase
3.81,3.55,-43.87,3,8,-1, 492.503, 5

Similar to: 4177392, 4177395, 8926731, 9593672, 674917, ... 8 in total.
8926731
 
#78

eMolecules: 1437968
Molport: MolPort-001-993-203
AKOS: AKOS000555725
Asinex: BAS03612380
ChemBridge: 7914234...13 total

ref: mol2, SDF, SMILES, flexibase
3.56,5.76,-17.39,4,8,0, 493.511, 5
hi: mol2, SDF, SMILES, flexibase
3.81,4.5,-39.99,4,8,0, 493.511, 5
hi: mol2, SDF, SMILES, flexibase
3.81,3.55,-43.93,3,8,-1, 492.503, 5

Similar to: 9593672, 9593675, 4177392, 4177395, 674917, ... 8 in total.
884306
 
#79

eMolecules: 1404388
Molport: MolPort-001-603-015
Scientific Exchange: M-715533
AKOS: AKOS000557638
Asinex: BAS02863045...16 total

ref: mol2, SDF, SMILES, flexibase
2.77,6.86,-12.67,2,7,0, 417.391, 5
lo: mol2, SDF, SMILES, flexibase
-0.96,-0.07,-42.92,3,7,1, 418.399, 5
884303
 
#80

eMolecules: 1404388
Molport: MolPort-001-603-015
Scientific Exchange: M-715533
AKOS: AKOS000557638
Asinex: BAS02863045...16 total

ref: mol2, SDF, SMILES, flexibase
2.77,6.12,-12.95,2,7,0, 417.391, 5
lo: mol2, SDF, SMILES, flexibase
-0.96,-0.45,-42.81,3,7,1, 418.399, 5
884301
 
#81

eMolecules: 1404388
Molport: MolPort-001-603-015
Scientific Exchange: M-715533
AKOS: AKOS000557638
Asinex: BAS02863045...16 total

ref: mol2, SDF, SMILES, flexibase
2.77,6.12,-12.93,2,7,0, 417.391, 5
lo: mol2, SDF, SMILES, flexibase
-0.96,-0.46,-42.71,3,7,1, 418.399, 5
884298
 
#82

eMolecules: 37115801, 1404388
Molport: MolPort-020-177-772, MolPort-001-603-015
Scientific Exchange: M-715533
AKOS: AKOS000557638
Asinex: BAS02863045...20 total

ref: mol2, SDF, SMILES, flexibase
2.77,6.86,-12.7,2,7,0, 417.391, 5
lo: mol2, SDF, SMILES, flexibase
-0.96,-0.03,-42.49,3,7,1, 418.399, 5
919801
 
#83

Molport: MolPort-001-993-210
AKOS: AKOS000555441
Asinex: BAS03612407
TimTec: ST50018108
AKOS BB (make-on-demand): AKOS000555441...8 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.41,-13.14,2,8,0, 394.357, 4
919797
 
#84

Molport: MolPort-001-993-210
AKOS: AKOS000555441
Asinex: BAS03612407
TimTec: ST50018108
AKOS BB (make-on-demand): AKOS000555441...8 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.17,-14.71,2,8,0, 394.357, 4
919799
 
#85

Molport: MolPort-001-993-210
AKOS: AKOS000555441
Asinex: BAS03612407
TimTec: ST50018108
AKOS BB (make-on-demand): AKOS000555441...8 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.17,-14.68,2,8,0, 394.357, 4
919795
 
#86

Molport: MolPort-001-993-210
AKOS: AKOS000555441
Asinex: BAS03612407
TimTec: ST50018108
AKOS BB (make-on-demand): AKOS000555441...8 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.41,-13.15,2,8,0, 394.357, 4
884093
 
#87

eMolecules: 1404310
Molport: MolPort-001-602-995
AKOS: AKOS000557462
Asinex: BAS02862999
Mcule: MCULE-2613623723...16 total

ref: mol2, SDF, SMILES, flexibase
3.71,8.78,-11.74,2,6,0, 448.42, 6
884091
 
#88

eMolecules: 1404310
Molport: MolPort-001-602-995
AKOS: AKOS000557462
Asinex: BAS02862999
Mcule: MCULE-2613623723...16 total

ref: mol2, SDF, SMILES, flexibase
3.71,8.05,-11.92,2,6,0, 448.42, 6
884089
 
#89

eMolecules: 1404310
Molport: MolPort-001-602-995
AKOS: AKOS000557462
Asinex: BAS02862999
Mcule: MCULE-2613623723...16 total

ref: mol2, SDF, SMILES, flexibase
3.71,8.05,-11.92,2,6,0, 448.42, 6
884087
 
#90

eMolecules: 1404310, 37115773
Molport: MolPort-020-177-758, MolPort-001-602-995
AKOS: AKOS000557462
Asinex: BAS02862999
Mcule: MCULE-2613623723...20 total

ref: mol2, SDF, SMILES, flexibase
3.71,8.78,-11.74,2,6,0, 448.42, 6
884316
 
#91

eMolecules: 1404390
Molport: MolPort-001-603-016
AKOS: AKOS000557668
Asinex: BAS02863046
Mcule: MCULE-4517782578...14 total

ref: mol2, SDF, SMILES, flexibase
3.31,10.54,-11.81,1,6,0, 456.468, 4

Similar to: 647603, 647605, 647607, 647609, ... 4 in total.
884314
 
#92

eMolecules: 1404390
Molport: MolPort-001-603-016
AKOS: AKOS000557668
Asinex: BAS02863046
Mcule: MCULE-4517782578...14 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.83,-12.33,1,6,0, 456.468, 4

Similar to: 647603, 647605, 647607, 647609, ... 4 in total.
884312
 
#93

eMolecules: 1404390
Molport: MolPort-001-603-016
AKOS: AKOS000557668
Asinex: BAS02863046
Mcule: MCULE-4517782578...14 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.83,-12.03,1,6,0, 456.468, 4

Similar to: 647395, 647396, 647397, 647399, 647603, ... 8 in total.
884309
 
#94

eMolecules: 1404390, 37115803
Molport: MolPort-020-177-773, MolPort-001-603-016
AKOS: AKOS000557668
Asinex: BAS02863046
Mcule: MCULE-4517782578...18 total

ref: mol2, SDF, SMILES, flexibase
3.31,10.57,-11.98,1,6,0, 456.468, 4

Similar to: 647603, 647605, 647607, 647609, ... 4 in total.
6721141
 
#95

AKOS: AKOS001686444
ChemDB: 7721852
SMDC CDiv Diverse: 160461
ref: mol2, SDF, SMILES, flexibase
3.33,0.24,-7.15,1,6,0, 341.172, 2
884143
 
#96

eMolecules: 1404324
Molport: MolPort-001-602-998
AKOS: AKOS000557607
Asinex: BAS02863008
ChemBridge: 7978811...15 total

ref: mol2, SDF, SMILES, flexibase
1.77,6.03,-11.89,1,7,0, 410.396, 4
884142
 
#97

eMolecules: 1404324
Molport: MolPort-001-602-998
AKOS: AKOS000557607
Asinex: BAS02863008
ChemBridge: 7978811...15 total

ref: mol2, SDF, SMILES, flexibase
1.77,5.3,-11.81,1,7,0, 410.396, 4
884140
 
#98

eMolecules: 1404324
Molport: MolPort-001-602-998
AKOS: AKOS000557607
Asinex: BAS02863008
ChemBridge: 7978811...15 total

ref: mol2, SDF, SMILES, flexibase
1.77,5.27,-12.2,1,7,0, 410.396, 4
884138
 
#99

eMolecules: 1404324, 37115777
Molport: MolPort-020-177-760, MolPort-001-602-998
AKOS: AKOS000557607
Asinex: BAS02863008
ChemBridge: 7978811...19 total

ref: mol2, SDF, SMILES, flexibase
1.77,6,-11.56,1,7,0, 410.396, 4
6232554
 
#100

eMolecules: 1404406
Molport: MolPort-001-603-020
AKOS: AKOS000557808
Asinex: BAS02863057
Mcule: MCULE-4530877120...16 total

ref: mol2, SDF, SMILES, flexibase
4.22,11.52,-11.16,1,6,0, 476.543, 4

Similar to: 12844986,

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 = 568 ) limit 0,100

Smiles were