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13518332
 
#1

eMolecules: 11480220
Molport: MolPort-002-679-085
AKOS: AKOS000619433
Asinex: BAS13474677
Mcule: MCULE-3569824683...12 total

ref: mol2, SDF, SMILES, flexibase
4.69,12.76,-13.4,1,5,0, 409.489, 5

Similar to: 21728784, 21728788, 21728812, 21728816, 21728893, ... 16 in total.
13518336
 
#2

eMolecules: 11480220
Molport: MolPort-002-679-085
AKOS: AKOS000619433
Asinex: BAS13474677
Mcule: MCULE-3569824683...12 total

ref: mol2, SDF, SMILES, flexibase
4.69,12.31,-10.75,1,5,0, 409.489, 5

Similar to: 21728784, 21728788, 21728812, 21728816, 21728893, ... 16 in total.
13518293
 
#3

eMolecules: 11480210
Molport: MolPort-002-679-079
AKOS: AKOS000619851
Asinex: BAS13474663
Mcule: MCULE-1818969010...12 total

ref: mol2, SDF, SMILES, flexibase
4.30,11.22,-12.18,1,6,0, 425.488, 5

Similar to: 21728744, 21728748, 21728860, 21728864, ... 4 in total.
13518297
 
#4

eMolecules: 11480210
Molport: MolPort-002-679-079
AKOS: AKOS000619851
Asinex: BAS13474663
Mcule: MCULE-1818969010...12 total

ref: mol2, SDF, SMILES, flexibase
4.30,10.81,-10.12,1,6,0, 425.488, 5

Similar to: 21728744, 21728748, 21728860, 21728864, ... 4 in total.
13518340
 
#5

eMolecules: 11480222
Molport: MolPort-002-679-086
AKOS: AKOS000619464
Asinex: BAS13474680
Mcule: MCULE-2585392419...12 total

ref: mol2, SDF, SMILES, flexibase
4.84,12.31,-11.17,1,4,0, 405.91, 3
13518344
 
#6

eMolecules: 11480222
Molport: MolPort-002-679-086
AKOS: AKOS000619464
Asinex: BAS13474680
Mcule: MCULE-2585392419...12 total

ref: mol2, SDF, SMILES, flexibase
4.84,11.97,-8.57,1,4,0, 405.91, 3
13518301
 
#7

eMolecules: 11480212
Molport: MolPort-002-679-080
AKOS: AKOS000619852
Asinex: BAS13474665
Mcule: MCULE-1899392168...12 total

ref: mol2, SDF, SMILES, flexibase
4.30,11.21,-13.94,1,6,0, 425.488, 5

Similar to: 21728752, 21728764, 21728767, 21728867, 21728869, ... 5 in total.
13518305
 
#8

eMolecules: 11480212
Molport: MolPort-002-679-080
AKOS: AKOS000619852
Asinex: BAS13474665
Mcule: MCULE-1899392168...12 total

ref: mol2, SDF, SMILES, flexibase
4.30,10.82,-11.57,1,6,0, 425.488, 5

Similar to: 21728752, 21728764, 21728767, 21728867, 21728869, ... 5 in total.
13518352
 
#9

eMolecules: 11480224
Molport: MolPort-002-679-087
AKOS: AKOS000619465
Asinex: BAS13474681
Mcule: MCULE-6841453542...12 total

ref: mol2, SDF, SMILES, flexibase
4.16,11.43,-9.54,1,4,0, 371.465, 3

Similar to: 21728900, 21728904,
13518348
 
#10

eMolecules: 11480224
Molport: MolPort-002-679-087
AKOS: AKOS000619465
Asinex: BAS13474681
Mcule: MCULE-6841453542...12 total

ref: mol2, SDF, SMILES, flexibase
4.16,11.78,-11.86,1,4,0, 371.465, 3

Similar to: 21728900, 21728904,
13518309
 
#11

eMolecules: 11480214
Molport: MolPort-002-679-081
AKOS: AKOS000619884
Asinex: BAS13474667
Mcule: MCULE-3754980800...12 total

ref: mol2, SDF, SMILES, flexibase
3.91,11.73,-14.99,1,6,0, 425.488, 5

Similar to: 21728778, 21728782, 21728872, 21728875, 21728877, ... 7 in total.
13518313
 
#12

eMolecules: 11480214
Molport: MolPort-002-679-081
AKOS: AKOS000619884
Asinex: BAS13474667
Mcule: MCULE-3754980800...12 total

ref: mol2, SDF, SMILES, flexibase
3.91,11.3,-11.59,1,6,0, 425.488, 5

Similar to: 21728778, 21728782, 21728805, 21728809, 21728872, ... 9 in total.
13518356
 
#13

eMolecules: 11480226
Molport: MolPort-002-679-088
AKOS: AKOS000619496
Asinex: BAS13474682
Mcule: MCULE-3269726919...12 total

ref: mol2, SDF, SMILES, flexibase
4.53,12.04,-10.5,1,4,0, 405.91, 3

Similar to: 21728798, 21728802, 21728907,
13518360
 
#14

eMolecules: 11480226
Molport: MolPort-002-679-088
AKOS: AKOS000619496
Asinex: BAS13474682
Mcule: MCULE-3269726919...12 total

ref: mol2, SDF, SMILES, flexibase
4.53,11.63,-8.37,1,4,0, 405.91, 3

Similar to: 21728798, 21728802, 21728907,
5274458
 
#15

eMolecules: 26381765
Molport: MolPort-002-665-019
AKOS: AKOS003662712
IBScreen: STOCK6S-08590
Mcule: MCULE-6933614549...13 total

ref: mol2, SDF, SMILES, flexibase
3.25,-4.77,-15.28,1,8,0, 410.455, 5
13518317
 
#16

eMolecules: 11480216
Molport: MolPort-002-679-082
AKOS: AKOS000619885
Asinex: BAS13474669
Mcule: MCULE-7403872551...12 total

ref: mol2, SDF, SMILES, flexibase
4.28,10.18,-14.26,2,6,0, 445.906, 4

Similar to: 21728770, 21728774, 21728778, 21728782, 21728784, ... 8 in total.
13518321
 
#17

eMolecules: 11480216
Molport: MolPort-002-679-082
AKOS: AKOS000619885
Asinex: BAS13474669
Mcule: MCULE-7403872551...12 total

ref: mol2, SDF, SMILES, flexibase
4.28,9.74,-11.07,2,6,0, 445.906, 4

Similar to: 21728752, 21728770, 21728774, 21728778, 21728782, ... 9 in total.
21728802
 
#18

eMolecules: 32785252
Molport: MolPort-010-675-166
AKOS: AKOS003637538
Mcule: MCULE-4121691890
SMDC CDiv Kinase: 138222...6 total

ref: mol2, SDF, SMILES, flexibase
3.85,11.13,-9.17,1,4,0, 371.465, 3

Similar to: 13518360, 13518356, 13592884, 13592882, 13654148, ... 9 in total.
21728798
 
#19

eMolecules: 32785252
Molport: MolPort-010-675-166
AKOS: AKOS003637538
Mcule: MCULE-4121691890
SMDC CDiv Kinase: 138222...6 total

ref: mol2, SDF, SMILES, flexibase
3.85,11.51,-11.32,1,4,0, 371.465, 3

Similar to: 13518360, 13518356, 13592884, 13592882, 13654148, ... 9 in total.
13120386
 
#20

eMolecules: 26365420
Molport: MolPort-002-640-177
AKOS: AKOS001764839
IBScreen: STOCK5S-37730
Mcule: MCULE-7939095302...16 total

ref: mol2, SDF, SMILES, flexibase
2.97,7.06,-16.65,1,7,0, 352.346, 6
13518368
 
#21

eMolecules: 11480228
Molport: MolPort-002-679-089
AKOS: AKOS000619497
Asinex: BAS13474685
Mcule: MCULE-3970811574...12 total

ref: mol2, SDF, SMILES, flexibase
4.15,10.75,-10.76,1,6,0, 409.445, 3

Similar to: 21728805, 21728809, 21728914, 21728918, 38200205, ... 19 in total.
13518364
 
#22

eMolecules: 11480228
Molport: MolPort-002-679-089
AKOS: AKOS000619497
Asinex: BAS13474685
Mcule: MCULE-3970811574...12 total

ref: mol2, SDF, SMILES, flexibase
4.15,11.19,-13.59,1,6,0, 409.445, 3

Similar to: 21728805, 21728809, 21728914, 21728918, 38200205, ... 20 in total.
13518325
 
#23

eMolecules: 11480218
Molport: MolPort-002-679-083
AKOS: AKOS000619403
Asinex: BAS13474673
Mcule: MCULE-6179043291...12 total

ref: mol2, SDF, SMILES, flexibase
4.29,11.82,-11.87,1,5,0, 395.462, 4

Similar to: 21728778, 21728782, 21728881, 21728884, ... 7 in total.
13518328
 
#24

eMolecules: 11480218
Molport: MolPort-002-679-083
AKOS: AKOS000619403
Asinex: BAS13474673
Mcule: MCULE-6179043291...12 total

ref: mol2, SDF, SMILES, flexibase
4.29,11.39,-9.35,1,5,0, 395.462, 4

Similar to: 21728778, 21728782, 21728881, 21728884, ... 7 in total.
21728904
 
#25

eMolecules: 32785284
Molport: MolPort-010-791-427
AKOS: AKOS003639030
Mcule: MCULE-2687143684
SMDC CDiv Kinase: 138242...6 total

ref: mol2, SDF, SMILES, flexibase
4.61,12.46,-11.61,1,4,0, 385.492, 3

Similar to: 13518348, 13518352,
21728900
 
#26

eMolecules: 32785284
Molport: MolPort-010-791-427
AKOS: AKOS003639030
Mcule: MCULE-2687143684
SMDC CDiv Kinase: 138242...6 total

ref: mol2, SDF, SMILES, flexibase
4.61,12.13,-9.2,1,4,0, 385.492, 3

Similar to: 13518348, 13518352,
13518279
 
#27

eMolecules: 11480208
Molport: MolPort-002-679-078
AKOS: AKOS000619819
Asinex: BAS13474659
Mcule: MCULE-5509574481...12 total

ref: mol2, SDF, SMILES, flexibase
4.64,12.76,-11.04,1,5,0, 409.489, 5

Similar to: 21728744, 21728748, 21728849, 21728850, ... 4 in total.
13518283
 
#28

eMolecules: 11480208
Molport: MolPort-002-679-078
AKOS: AKOS000619819
Asinex: BAS13474659
Mcule: MCULE-5509574481...12 total

ref: mol2, SDF, SMILES, flexibase
4.64,12.46,-9.49,1,5,0, 409.489, 5

Similar to: 21728744, 21728748, 21728849, 21728850, ... 4 in total.
1393036
 
#29

eMolecules: 4897212
Molport: MolPort-002-679-084
AKOS: AKOS000619432
Asinex: BAS13474675
KeyOrganics: 5N-081...12 total

ref: mol2, SDF, SMILES, flexibase
4.32,11.83,-13.57,1,5,0, 395.462, 4

Similar to: 3690926, 3691277, 3693754, 3694339, 3694908, ... 17 in total.
1393035
 
#30

eMolecules: 4897212
Molport: MolPort-002-679-084
AKOS: AKOS000619432
Asinex: BAS13474675
KeyOrganics: 5N-081...12 total

ref: mol2, SDF, SMILES, flexibase
4.32,11.39,-10.88,1,5,0, 395.462, 4

Similar to: 3690926, 3691277, 3693754, 3694339, 3694908, ... 18 in total.
21728910
 
#31

eMolecules: 32785286
Molport: MolPort-010-675-169
AKOS: AKOS003639291
Mcule: MCULE-5058919535
SMDC CDiv Kinase: 138252...6 total

ref: mol2, SDF, SMILES, flexibase
4.30,12.2,-11.04,1,4,0, 385.492, 3
21728907
 
#32

eMolecules: 32785286
Molport: MolPort-010-675-169
AKOS: AKOS003639291
Mcule: MCULE-5058919535
SMDC CDiv Kinase: 138252...6 total

ref: mol2, SDF, SMILES, flexibase
4.30,11.8,-8.98,1,4,0, 385.492, 3

Similar to: 13518360, 13518356, 13654148, 13570791, 13592884, ... 9 in total.
9610363
 
#33

SMDC CDiv Kinase: 138667
AKOS (make-on-demand): AKOS001813523
Ambinter: Amb16698221
ref: mol2, SDF, SMILES, flexibase
2.24,-2.72,-17.01,2,7,0, 339.399, 7

Similar to: 20856472,
9610365
 
#34

eMolecules: 16028220
Molport: MolPort-007-644-657
AKOS: AKOS001813617
Mcule: MCULE-9147859377
Individual Suppliers: 9610365...8 total

ref: mol2, SDF, SMILES, flexibase
2.51,8.42,-49.92,1,7,-1, 324.364, 5

Similar to: 13718499,
9610360
 
#35

Molport: MolPort-007-644-652
AKOS: AKOS001813426
Mcule: MCULE-7188190310
SMDC CDiv Kinase: 138726
Ambinter: Amb16698222...6 total

ref: mol2, SDF, SMILES, flexibase
1.67,-2.17,-18.88,2,8,0, 327.344, 5

Similar to: 13735051,
11914062
 
#36

eMolecules: 9879361
Molport: MolPort-004-878-722
AKOS: AKOS001515264
Enamine: Z57908713
Innovapharm: STT-00251763...14 total

ref: mol2, SDF, SMILES, flexibase
2.59,3.44,-13.14,3,7,0, 379.416, 5
hi: mol2, SDF, SMILES, flexibase
2.59,4.26,-47.81,2,7,-1, 378.408, 5

Similar to: 39911622, 39911623, 39912116, 39912117, 39912298, ... 25 in total.
11914061
 
#37

eMolecules: 9879361
Molport: MolPort-004-878-722
AKOS: AKOS001515264
Enamine: Z57908713
Innovapharm: STT-00251763...14 total

ref: mol2, SDF, SMILES, flexibase
2.59,3.46,-12.61,3,7,0, 379.416, 5
hi: mol2, SDF, SMILES, flexibase
2.59,4.14,-43.88,2,7,-1, 378.408, 5

Similar to: 39911622, 39911623, 39912116, 39912117, 39912298, ... 27 in total.
12063468
 
#38

eMolecules: 9880005
Molport: MolPort-004-878-346
AKOS: AKOS001898334
Enamine: Z57908924
Innovapharm: STT-00251182...13 total

ref: mol2, SDF, SMILES, flexibase
4.46,8.33,-10.9,2,6,0, 391.471, 6
hi: mol2, SDF, SMILES, flexibase
4.46,9.17,-48.57,1,6,-1, 390.463, 6

Similar to: 16448749, 16448751, 16474361, 16474364, 21782755, ... 23 in total.
12063466
 
#39

eMolecules: 9880005
Molport: MolPort-004-878-346
AKOS: AKOS001898334
Enamine: Z57908924
Innovapharm: STT-00251182...13 total

ref: mol2, SDF, SMILES, flexibase
4.46,7.99,-11.02,2,6,0, 391.471, 6
hi: mol2, SDF, SMILES, flexibase
4.46,8.83,-40.76,1,6,-1, 390.463, 6

Similar to: 12063468, 16448749, 16448751, 16474361, 16474364, ... 21 in total.
11914090
 
#40

eMolecules: 9879417
Molport: MolPort-004-878-751
AKOS: AKOS001898453
Innovapharm: STT-00251801
Mcule: MCULE-9737162788...13 total

ref: mol2, SDF, SMILES, flexibase
4.25,7.79,-13.19,2,6,0, 389.455, 6
hi: mol2, SDF, SMILES, flexibase
4.25,8.61,-43.73,1,6,-1, 388.447, 6

Similar to: 36490119, 38609823, 38609824, 39912062, 39912063, ... 51 in total.
11914089
 
#41

eMolecules: 9879417
Molport: MolPort-004-878-751
AKOS: AKOS001898453
Innovapharm: STT-00251801
Mcule: MCULE-9737162788...13 total

ref: mol2, SDF, SMILES, flexibase
4.25,8.16,-13,2,6,0, 389.455, 6
hi: mol2, SDF, SMILES, flexibase
4.25,9.09,-39.47,1,6,-1, 388.447, 6

Similar to: 36490119, 38609823, 38609824, 39912062, 39912063, ... 45 in total.
11914086
 
#42

eMolecules: 9879413
Molport: MolPort-004-878-749
AKOS: AKOS001515196
Enamine: Z57908695
Innovapharm: STT-00251799...14 total

ref: mol2, SDF, SMILES, flexibase
2.56,4.08,-17.38,3,8,0, 423.469, 7
hi: mol2, SDF, SMILES, flexibase
2.56,4.86,-49.17,2,8,-1, 422.461, 7

Similar to: 39911524, 39911525, 39911532, 39911533, 39911592, ... 18 in total.
11914085
 
#43

eMolecules: 9879413
Molport: MolPort-004-878-749
AKOS: AKOS001515196
Enamine: Z57908695
Innovapharm: STT-00251799...14 total

ref: mol2, SDF, SMILES, flexibase
2.56,4.17,-17.81,3,8,0, 423.469, 7
hi: mol2, SDF, SMILES, flexibase
2.56,5.12,-45.97,2,8,-1, 422.461, 7

Similar to: 39911524, 39911525, 39911532, 39911533, 39911592, ... 20 in total.
21177004
 
#44

eMolecules: 16110803
Molport: MolPort-007-694-052
AKOS: AKOS001526013
Mcule: MCULE-4204930457
AKOS BB (make-on-demand): AKOS001526013...8 total

ref: mol2, SDF, SMILES, flexibase
4.06,14.45,-20.26,1,7,0, 457.509, 5

Similar to: 20718207, 20718210, 20732347, 20732351, ... 4 in total.
21177000
 
#45

eMolecules: 16110803
Molport: MolPort-007-694-052
AKOS: AKOS001526013
Mcule: MCULE-4204930457
AKOS BB (make-on-demand): AKOS001526013...8 total

ref: mol2, SDF, SMILES, flexibase
4.06,14.29,-15.81,1,7,0, 457.509, 5

Similar to: 20718207, 20718210, 20732347, 20732351, ... 4 in total.
35171171
 
#46

eMolecules: 30563823
Molport: MolPort-010-734-148
Mcule: MCULE-5862831374
SMDC CDiv Kinase: 140417
Ambinter: Amb20289145...6 total

ref: mol2, SDF, SMILES, flexibase
2.43,11.04,-16.13,1,6,0, 351.385, 2

Similar to: 20727324, 20727330, 20746052, 20746053, ... 4 in total.
35171173
 
#47

eMolecules: 30563823
Molport: MolPort-010-734-148
Mcule: MCULE-5862831374
SMDC CDiv Kinase: 140417
Ambinter: Amb20289145...6 total

ref: mol2, SDF, SMILES, flexibase
2.43,10.85,-13.8,1,6,0, 351.385, 2

Similar to: 20727324, 20727330, 20746052, 20746053, ... 4 in total.
35373076
 
#48

eMolecules: 30563831
Molport: MolPort-010-676-260
ChemBridge: 9269847
Mcule: MCULE-2620025687
SMDC CDiv Kinase: 140418...7 total

ref: mol2, SDF, SMILES, flexibase
2.56,10.79,-17.86,1,6,0, 353.451, 2

Similar to: 21661171, 21661172,
35373077
 
#49

eMolecules: 30563831
Molport: MolPort-010-676-260
ChemBridge: 9269847
Mcule: MCULE-2620025687
SMDC CDiv Kinase: 140418...7 total

ref: mol2, SDF, SMILES, flexibase
2.56,10.57,-13.55,1,6,0, 353.451, 2

Similar to: 20744911, 20744912,
8654625
 
#50

eMolecules: 30563839
Molport: MolPort-010-734-154
Mcule: MCULE-2150553094
ChEMBL12: CHEMBL1598932
ChEMBL19: CHEMBL1598932...9 total

ref: mol2, SDF, SMILES, flexibase
3.08,11,-16.74,1,7,0, 442.317, 3

Similar to: 8654626, 21660743, 21660745, 21660823, 21660825, ... 5 in total.
8654626
 
#51

eMolecules: 30563839
Molport: MolPort-010-734-154
Mcule: MCULE-2150553094
ChEMBL12: CHEMBL1598932
ChEMBL19: CHEMBL1598932...9 total

ref: mol2, SDF, SMILES, flexibase
3.08,10.78,-14.4,1,7,0, 442.317, 3

Similar to: 21660743, 21660745, 21660823, 21660825, ... 5 in total.
21177299
 
#52

eMolecules: 17440422
Molport: MolPort-007-694-128
AKOS: AKOS001888539
Mcule: MCULE-8438014739
SMDC CDiv Kinase: 140421...7 total

ref: mol2, SDF, SMILES, flexibase
3.31,7.63,-14.22,2,6,0, 376.441, 2

Similar to: 21661055, 21661057, 21726114, 21726118, ... 4 in total.
21177294
 
#53

eMolecules: 17440422
Molport: MolPort-007-694-128
AKOS: AKOS001888539
Mcule: MCULE-8438014739
SMDC CDiv Kinase: 140421...7 total

ref: mol2, SDF, SMILES, flexibase
3.31,7.55,-22.7,2,6,0, 376.441, 2

Similar to: 21726114, 21726118,
21177396
 
#54

eMolecules: 17440444
Molport: MolPort-007-694-139
AKOS: AKOS001525965
Mcule: MCULE-7299304472
AKOS BB (make-on-demand): AKOS001525965...8 total

ref: mol2, SDF, SMILES, flexibase
3.42,8.9,-16.5,1,8,0, 450.52, 5
21177390
 
#55

eMolecules: 17440444
Molport: MolPort-007-694-139
AKOS: AKOS001525965
Mcule: MCULE-7299304472
AKOS BB (make-on-demand): AKOS001525965...8 total

ref: mol2, SDF, SMILES, flexibase
3.42,9.35,-16.74,1,8,0, 450.52, 5
21523529
 
#56

eMolecules: 17440386
Molport: MolPort-007-694-024
AKOS: AKOS001525987
Mcule: MCULE-8321882036
AKOS BB (make-on-demand): AKOS001525987...8 total

ref: mol2, SDF, SMILES, flexibase
2.72,11.24,-18.13,1,7,0, 377.448, 4

Similar to: 20729427, 20729430, 20735110, 20735114, 20735881, ... 12 in total.
21523531
 
#57

eMolecules: 17440386
Molport: MolPort-007-694-024
AKOS: AKOS001525987
Mcule: MCULE-8321882036
AKOS BB (make-on-demand): AKOS001525987...8 total

ref: mol2, SDF, SMILES, flexibase
2.72,11.07,-14.34,1,7,0, 377.448, 4

Similar to: 20729427, 20729430, 20735110, 20735114, 20735881, ... 12 in total.
21177510
 
#58

eMolecules: 17440470
Molport: MolPort-007-694-152
AKOS: AKOS001888455
Mcule: MCULE-5019394154
SMDC CDiv Kinase: 140423...6 total

ref: mol2, SDF, SMILES, flexibase
3.93,10.29,-13.95,1,5,0, 378.432, 2

Similar to: 21660583, 21660584, 21660640, 21660642, 21660648, ... 26 in total.
21177504
 
#59

eMolecules: 17440470
Molport: MolPort-007-694-152
AKOS: AKOS001888455
Mcule: MCULE-5019394154
SMDC CDiv Kinase: 140423...6 total

ref: mol2, SDF, SMILES, flexibase
3.93,10.77,-19.44,1,5,0, 378.432, 2

Similar to: 21660583, 21660584, 21660636, 21660638, 21660648, ... 26 in total.
8654605
 
#60

eMolecules: 16110771
Molport: MolPort-007-694-033
AKOS: AKOS001526062
Mcule: MCULE-9742720768
AKOS BB (make-on-demand): AKOS001526062...11 total

ref: mol2, SDF, SMILES, flexibase
1.64,7.99,-22.14,2,9,0, 409.446, 4

Similar to: 8654606, 20720184, 20720188, 20728162, 20728165, ... 21 in total.
8654606
 
#61

eMolecules: 16110771
Molport: MolPort-007-694-033
AKOS: AKOS001526062
Mcule: MCULE-9742720768
AKOS BB (make-on-demand): AKOS001526062...11 total

ref: mol2, SDF, SMILES, flexibase
1.64,7.8,-17.7,2,9,0, 409.446, 4

Similar to: 20720184, 20720188, 20728162, 20728165, 20731144, ... 17 in total.
21177582
 
#62

eMolecules: 17440488
Molport: MolPort-007-694-161
AKOS: AKOS001887590
Mcule: MCULE-9556101270
SMDC CDiv Kinase: 140424...7 total

ref: mol2, SDF, SMILES, flexibase
4.05,10.64,-11.84,1,5,0, 396.422, 2

Similar to: 21660648, 21660650, 21660666, 21660668, 21661019, ... 14 in total.
21177577
 
#63

eMolecules: 17440488
Molport: MolPort-007-694-161
AKOS: AKOS001887590
Mcule: MCULE-9556101270
SMDC CDiv Kinase: 140424...7 total

ref: mol2, SDF, SMILES, flexibase
4.05,10.57,-19.13,1,5,0, 396.422, 2

Similar to: 21660648, 21660650, 21660666, 21660668, 21661019, ... 14 in total.
21176943
 
#64

eMolecules: 16110791
Molport: MolPort-007-694-043
AKOS: AKOS001888532
Mcule: MCULE-2698327108
SMDC CDiv Kinase: 140345...7 total

ref: mol2, SDF, SMILES, flexibase
2.81,11.96,-19.86,1,8,0, 421.501, 6

Similar to: 20719376, 20719379, 20730371, 20730374, 20744526, ... 6 in total.
21176948
 
#65

eMolecules: 16110791
Molport: MolPort-007-694-043
AKOS: AKOS001888532
Mcule: MCULE-2698327108
SMDC CDiv Kinase: 140345...7 total

ref: mol2, SDF, SMILES, flexibase
2.81,11.79,-16.06,1,8,0, 421.501, 6

Similar to: 20719376, 20719379, 20730371, 20730374, 20731350, ... 7 in total.
21177726
 
#66

eMolecules: 17440524
Molport: MolPort-007-694-181
AKOS: AKOS001526279
Mcule: MCULE-3105195947
AKOS BB (make-on-demand): AKOS001526279...8 total

ref: mol2, SDF, SMILES, flexibase
3.69,9.52,-13.75,1,5,0, 366.471, 2

Similar to: 21661075, 21661077,
21177720
 
#67

eMolecules: 17440524
Molport: MolPort-007-694-181
AKOS: AKOS001526279
Mcule: MCULE-3105195947
AKOS BB (make-on-demand): AKOS001526279...8 total

ref: mol2, SDF, SMILES, flexibase
3.69,9.95,-15.64,1,5,0, 366.471, 2

Similar to: 21661075, 21661077,
21523551
 
#68

eMolecules: 17440392
Molport: MolPort-007-694-053
Mcule: MCULE-1131819992
AKOS BB (make-on-demand): AKOS001526039
SMDC CDiv Kinase: 140426...8 total

ref: mol2, SDF, SMILES, flexibase
4.10,14.37,-18.82,1,7,0, 457.509, 5

Similar to: 20718207, 20718210, 20732347, 20732351, ... 4 in total.
21523550
 
#69

eMolecules: 17440392
Molport: MolPort-007-694-053
Mcule: MCULE-1131819992
AKOS BB (make-on-demand): AKOS001526039
SMDC CDiv Kinase: 140426...8 total

ref: mol2, SDF, SMILES, flexibase
4.10,14.21,-16.07,1,7,0, 457.509, 5

Similar to: 20718207, 20718210, 20732347, 20732351, ... 4 in total.
35373073
 
#70

eMolecules: 30563825
Molport: MolPort-010-734-149
ChemBridge: 9229305
Mcule: MCULE-3826304307
SMDC CDiv Kinase: 140427...7 total

ref: mol2, SDF, SMILES, flexibase
2.45,11.04,-18.83,1,6,0, 351.385, 2

Similar to: 20727324, 20727330, 20746052, 20746053, ... 4 in total.
35373075
 
#71

eMolecules: 30563825
Molport: MolPort-010-734-149
ChemBridge: 9229305
Mcule: MCULE-3826304307
SMDC CDiv Kinase: 140427...7 total

ref: mol2, SDF, SMILES, flexibase
2.45,10.85,-14.48,1,6,0, 351.385, 2

Similar to: 20727324, 20727330, 20746052, 20746053, ... 4 in total.
35373079
 
#72

eMolecules: 30563833
Molport: MolPort-010-676-261
ChemBridge: 9224656
Mcule: MCULE-1491731893
SMDC CDiv Kinase: 140428...7 total

ref: mol2, SDF, SMILES, flexibase
1.88,9.97,-17.03,1,6,0, 339.424, 2

Similar to: 21661187, 21661188, 20722832, 20722835, ... 4 in total.
35373081
 
#73

eMolecules: 30563833
Molport: MolPort-010-676-261
ChemBridge: 9224656
Mcule: MCULE-1491731893
SMDC CDiv Kinase: 140428...7 total

ref: mol2, SDF, SMILES, flexibase
1.88,9.75,-13.57,1,6,0, 339.424, 2

Similar to: 21661187, 21661188, 20722832, 20722835, ... 4 in total.
35373082
 
#74

eMolecules: 30563841
Molport: MolPort-010-734-155
Mcule: MCULE-2177465253
SMDC CDiv Kinase: 140429
Ambinter: Amb20289162...6 total

ref: mol2, SDF, SMILES, flexibase
3.08,11.83,-18.35,1,7,0, 391.475, 4

Similar to: 20729427, 20729430, 20744984, 20744985, 20745896, ... 6 in total.
35373084
 
#75

eMolecules: 30563841
Molport: MolPort-010-734-155
Mcule: MCULE-2177465253
SMDC CDiv Kinase: 140429
Ambinter: Amb20289162...6 total

ref: mol2, SDF, SMILES, flexibase
3.08,11.64,-14.35,1,7,0, 391.475, 4

Similar to: 20729427, 20729430, 20735110, 20735114, 20744984, ... 10 in total.
21177319
 
#76

eMolecules: 17440428
Molport: MolPort-007-694-131
AKOS: AKOS001888638
Mcule: MCULE-4216793880
SMDC CDiv Kinase: 140431...7 total

ref: mol2, SDF, SMILES, flexibase
3.82,9.56,-14.14,1,6,0, 390.468, 3

Similar to: 21726022, 21726026, 21726074, 21726078, 21726106, ... 6 in total.
21177314
 
#77

eMolecules: 17440428
Molport: MolPort-007-694-131
AKOS: AKOS001888638
Mcule: MCULE-4216793880
SMDC CDiv Kinase: 140431...7 total

ref: mol2, SDF, SMILES, flexibase
3.82,10.02,-14.66,1,6,0, 390.468, 3

Similar to: 21726022, 21726026, 21726074, 21726078, 21726106, ... 8 in total.
21177407
 
#78

eMolecules: 17440446
Molport: MolPort-007-694-140
AKOS: AKOS001525990
Mcule: MCULE-7183309216
AKOS BB (make-on-demand): AKOS001525990...8 total

ref: mol2, SDF, SMILES, flexibase
3.83,8.98,-14.55,1,7,0, 420.494, 4

Similar to: 21661051, 21661053,
21177401
 
#79

eMolecules: 17440446
Molport: MolPort-007-694-140
AKOS: AKOS001525990
Mcule: MCULE-7183309216
AKOS BB (make-on-demand): AKOS001525990...8 total

ref: mol2, SDF, SMILES, flexibase
3.83,9.43,-13.75,1,7,0, 420.494, 4
21176833
 
#80

eMolecules: 16110759
Molport: MolPort-007-694-025
ChemBridge: 9245058
Mcule: MCULE-1426618488
AKOS BB (make-on-demand): AKOS001526011...9 total

ref: mol2, SDF, SMILES, flexibase
2.32,10.32,-16.76,1,7,0, 363.421, 3

Similar to: 20725028, 20731662, 20731666, 20736061, 20737883, ... 12 in total.
21176838
 
#81

eMolecules: 16110759
Molport: MolPort-007-694-025
ChemBridge: 9245058
Mcule: MCULE-1426618488
AKOS BB (make-on-demand): AKOS001526011...9 total

ref: mol2, SDF, SMILES, flexibase
2.32,10.16,-14.18,1,7,0, 363.421, 3

Similar to: 20725028, 20731662, 20731666, 20736061, 20737883, ... 12 in total.
21177520
 
#82

eMolecules: 17440472
Molport: MolPort-007-694-153
AKOS: AKOS001888543
Mcule: MCULE-1914613623
SMDC CDiv Kinase: 140433...7 total

ref: mol2, SDF, SMILES, flexibase
4.58,10.85,-13.39,1,5,0, 439.338, 2

Similar to: 21660997, 21660999, 21661029, 21661030, 21661055, ... 16 in total.
21177515
 
#83

eMolecules: 17440472
Molport: MolPort-007-694-153
AKOS: AKOS001888543
Mcule: MCULE-1914613623
SMDC CDiv Kinase: 140433...7 total

ref: mol2, SDF, SMILES, flexibase
4.58,11.33,-17.71,1,5,0, 439.338, 2

Similar to: 21660997, 21660999, 21661025, 21661027, 21661029, ... 20 in total.
21176873
 
#84

eMolecules: 16110777
Molport: MolPort-007-694-036
AKOS: AKOS001526088
Mcule: MCULE-7072172052
AKOS BB (make-on-demand): AKOS001526088...8 total

ref: mol2, SDF, SMILES, flexibase
3.53,14.21,-21.19,1,8,0, 469.545, 6

Similar to: 20729659, 20731350, 20739306, 20739309, 20745890, ... 6 in total.
21176877
 
#85

eMolecules: 16110777
Molport: MolPort-007-694-036
AKOS: AKOS001526088
Mcule: MCULE-7072172052
AKOS BB (make-on-demand): AKOS001526088...8 total

ref: mol2, SDF, SMILES, flexibase
3.53,14.07,-17.48,1,8,0, 469.545, 6

Similar to: 20729659, 20731350, 20732347, 20732351, 20739306, ... 8 in total.
21177587
 
#86

eMolecules: 17440492
Molport: MolPort-007-694-163
AKOS: AKOS001887681
Mcule: MCULE-7968721857
SMDC CDiv Kinase: 140434...7 total

ref: mol2, SDF, SMILES, flexibase
3.51,8.54,-22.07,2,7,0, 420.494, 4

Similar to: 21726038, 21726041, 21726045, 21726048, 21726081, ... 12 in total.
21177592
 
#87

eMolecules: 17440492
Molport: MolPort-007-694-163
AKOS: AKOS001887681
Mcule: MCULE-7968721857
SMDC CDiv Kinase: 140434...7 total

ref: mol2, SDF, SMILES, flexibase
3.51,8.59,-16.14,2,7,0, 420.494, 4

Similar to: 21726038, 21726041, 21726045, 21726048, 21726081, ... 14 in total.
21523539
 
#88

eMolecules: 17440388
Molport: MolPort-007-694-045
AKOS: AKOS001526274
Mcule: MCULE-5938285447
AKOS BB (make-on-demand): AKOS001526274...8 total

ref: mol2, SDF, SMILES, flexibase
2.58,11.76,-20.23,1,8,0, 419.485, 6

Similar to: 20731350, 20736061,
21523541
 
#89

eMolecules: 17440388
Molport: MolPort-007-694-045
AKOS: AKOS001526274
Mcule: MCULE-5938285447
AKOS BB (make-on-demand): AKOS001526274...8 total

ref: mol2, SDF, SMILES, flexibase
2.58,11.59,-16.48,1,8,0, 419.485, 6

Similar to: 20731350, 20736061,
21177737
 
#90

eMolecules: 17440526
Molport: MolPort-007-694-182
AKOS: AKOS001526303
Mcule: MCULE-2646979880
AKOS BB (make-on-demand): AKOS001526303...8 total

ref: mol2, SDF, SMILES, flexibase
4.54,10.48,-14.25,1,5,0, 412.877, 2

Similar to: 21660556, 21660558, 21660560, 21660561, 21660586, ... 20 in total.
21177731
 
#91

eMolecules: 17440526
Molport: MolPort-007-694-182
AKOS: AKOS001526303
Mcule: MCULE-2646979880
AKOS BB (make-on-demand): AKOS001526303...8 total

ref: mol2, SDF, SMILES, flexibase
4.54,11.14,-13.8,1,5,0, 412.877, 2

Similar to: 21660556, 21660558, 21660560, 21660561, 21660586, ... 20 in total.
21177014
 
#92

eMolecules: 16110805
Molport: MolPort-007-694-054
AKOS: AKOS001526063
Mcule: MCULE-1875054410
AKOS BB (make-on-demand): AKOS001526063...8 total

ref: mol2, SDF, SMILES, flexibase
4.59,14.81,-18.91,1,7,0, 473.964, 5

Similar to: 20729659,
21177009
 
#93

eMolecules: 16110805
Molport: MolPort-007-694-054
AKOS: AKOS001526063
Mcule: MCULE-1875054410
AKOS BB (make-on-demand): AKOS001526063...8 total

ref: mol2, SDF, SMILES, flexibase
4.59,14.65,-15.73,1,7,0, 473.964, 5

Similar to: 20729659,
21523566
 
#94

eMolecules: 17440396
Molport: MolPort-007-694-059
AKOS: AKOS001526117
Mcule: MCULE-3425175255
AKOS BB (make-on-demand): AKOS001526117...8 total

ref: mol2, SDF, SMILES, flexibase
2.54,11.13,-13.57,1,6,0, 369.375, 2

Similar to: 20720054, 20720057, 20726560, 20726565, 20731540, ... 8 in total.
21523564
 
#95

eMolecules: 17440396
Molport: MolPort-007-694-059
AKOS: AKOS001526117
Mcule: MCULE-3425175255
AKOS BB (make-on-demand): AKOS001526117...8 total

ref: mol2, SDF, SMILES, flexibase
2.54,10.94,-13.4,1,6,0, 369.375, 2

Similar to: 20720054, 20720057, 20726560, 20726565, 20731540, ... 8 in total.
21177047
 
#96

eMolecules: 16110815
Molport: MolPort-007-694-068
AKOS: AKOS001887488
Mcule: MCULE-6442930683
SMDC CDiv Kinase: 140438...7 total

ref: mol2, SDF, SMILES, flexibase
1.08,8.38,-26.49,3,9,0, 406.446, 5

Similar to: 20737883, 20737887, 20744984, 20744985, ... 4 in total.
21177041
 
#97

eMolecules: 16110815
Molport: MolPort-007-694-068
AKOS: AKOS001887488
Mcule: MCULE-6442930683
SMDC CDiv Kinase: 140438...7 total

ref: mol2, SDF, SMILES, flexibase
1.08,8.22,-24.36,3,9,0, 406.446, 5

Similar to: 20737883, 20737887, 20744984, 20744985, ... 4 in total.
21177328
 
#98

eMolecules: 17440430
Molport: MolPort-007-694-132
Mcule: MCULE-4048150848
SMDC CDiv Kinase: 140441
AKOS (make-on-demand): AKOS001887586...7 total

ref: mol2, SDF, SMILES, flexibase
3.85,9.81,-12.19,1,6,0, 390.468, 3

Similar to: 21661055, 21661057, 21726114, 21726118, ... 4 in total.
21177324
 
#99

eMolecules: 17440430
Molport: MolPort-007-694-132
Mcule: MCULE-4048150848
SMDC CDiv Kinase: 140441
AKOS (make-on-demand): AKOS001887586...7 total

ref: mol2, SDF, SMILES, flexibase
3.85,9.74,-18.83,1,6,0, 390.468, 3

Similar to: 21661055, 21661057, 21726114, 21726118, ... 4 in total.
21177417
 
#100

eMolecules: 17440450
Molport: MolPort-007-694-142
Mcule: MCULE-7277218491
AKOS BB (make-on-demand): AKOS001525991
SMDC CDiv Kinase: 140442...8 total

ref: mol2, SDF, SMILES, flexibase
4.95,12.58,-11.18,1,5,0, 410.502, 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 = 569 ) limit 0,100

Smiles were