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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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19553032
 
#1

Asinex (Depleted): SYN20045590
Collaborative Drug Discovery: 38844
PubChem: 51596043, 46971543
Ambinter: Amb13918160
ref: mol2, SDF, SMILES, flexibase
1.49,8.85,-43.93,2,5,1, 325.436, 5

Similar to: 44519960, 44523003,
22289754
 
#2

eMolecules: 29669946
Enamine: Z66628200
Mcule: MCULE-4387445357
PubChem: 30183475, 30183476
Ambinter: Amb10673122...7 total

ref: mol2, SDF, SMILES, flexibase
2.40,11.05,-39.73,2,6,1, 368.486, 5
mid: mol2, SDF, SMILES, flexibase
2.47,10,-42.26,1,6,0, 367.478, 5
hi: mol2, SDF, SMILES, flexibase
3.33,8.12,-14.44,1,6,0, 367.478, 4
hi: mol2, SDF, SMILES, flexibase
2.47,7.72,-44.32,0,6,-1, 366.47, 5

Similar to: 16681121,
8157363
 
#3

eMolecules: 3594308
Molport: MolPort-004-190-886
Enamine: Z115165930
Mcule: MCULE-2909826370
PubChem: 9292821...7 total

ref: mol2, SDF, SMILES, flexibase
2.76,0.59,-41.01,2,5,1, 375.496, 6

Similar to: 8706439, 9917302, 9919491, 9931280, 26098968, ... 5 in total.
8160864
 
#4

eMolecules: 24017172
Enamine: Z110043278
Mcule: MCULE-2614296054
PubChem: 40718144
Ambinter: Amb8282322...6 total

ref: mol2, SDF, SMILES, flexibase
2.26,12.32,-38.05,2,5,1, 361.469, 6

Similar to: 8706439, 9917302, 9919491, 9931280, 26098968, ... 5 in total.
11360256
 
#5

eMolecules: 31373201
Molport: MolPort-009-159-634
Enamine: Z236032314
Mcule: MCULE-5204003811
PubChem: 51485787...8 total

ref: mol2, SDF, SMILES, flexibase
1.31,5.84,-45.94,1,7,-1, 369.426, 6
lo: mol2, SDF, SMILES, flexibase
1.31,5.78,-17.08,2,7,0, 370.434, 6

Similar to: 11360427, 11360428, 10547778,
48325309
 
#6

eMolecules: 30711109
Molport: MolPort-009-122-095
Enamine: Z68193765
Mcule: MCULE-7149601465
Collaborative Drug Discovery: 1217280...8 total

ref: mol2, SDF, SMILES, flexibase
0.65,9.91,-41.84,2,6,1, 296.354, 6
mid: mol2, SDF, SMILES, flexibase
0.65,9.4,-14.91,1,6,0, 295.346, 6
lo: mol2, SDF, SMILES, flexibase
0.65,10.42,-86.65,3,6,2, 297.362, 6
8136034
 
#7

eMolecules: 3706529
Molport: MolPort-004-187-017
Enamine: Z68208161
Mcule: MCULE-6347815358
PubChem: 16329259...8 total

ref: mol2, SDF, SMILES, flexibase
1.97,10.32,-43.15,2,6,1, 351.43, 6

Similar to: 8136031,
8136031
 
#8

eMolecules: 3706529
Molport: MolPort-004-187-017
Enamine: Z68208161
Mcule: MCULE-6347815358
PubChem: 16329259...8 total

ref: mol2, SDF, SMILES, flexibase
1.97,11.27,-40.13,2,6,1, 351.43, 6

Similar to: 8136034,
12506612
 
#9

eMolecules: 15276490
Molport: MolPort-005-616-087
Enamine: Z136369980
Mcule: MCULE-4969564378
PubChem: 17486825...8 total

ref: mol2, SDF, SMILES, flexibase
2.72,13.05,-41.27,2,5,1, 361.469, 6

Similar to: 25461810, 25461902, 26151558, 26153909, ... 5 in total.
12506610
 
#10

eMolecules: 15276490
Molport: MolPort-005-616-087
Enamine: Z136369980
Mcule: MCULE-4969564378
PubChem: 17486825...8 total

ref: mol2, SDF, SMILES, flexibase
2.72,12.18,-43.06,2,5,1, 361.469, 6

Similar to: 12506612, 25461810, 25461902, 26151558, 26153909, ... 5 in total.
14093925
 
#11

eMolecules: 31850717
Molport: MolPort-005-571-172
Enamine: Z90656698
Mcule: MCULE-5317595572
PubChem: 16235588...8 total

ref: mol2, SDF, SMILES, flexibase
2.25,11.49,-48.14,2,5,1, 347.442, 5

Similar to: 25081475,
14093926
 
#12

eMolecules: 31850717
Molport: MolPort-005-571-172
Enamine: Z90656698
Mcule: MCULE-5317595572
PubChem: 16235588...8 total

ref: mol2, SDF, SMILES, flexibase
2.25,11.66,-48.11,2,5,1, 347.442, 5

Similar to: 25081475,
10556541
 
#13

eMolecules: 16764210
Enamine: Z90656695
Mcule: MCULE-7997778752
PubChem: 17529901, 41550132
Ambinter: Amb323228...7 total

ref: mol2, SDF, SMILES, flexibase
2.50,-0.59,-41.27,3,5,1, 327.452, 3
12556686
 
#14

eMolecules: 13574156
Molport: MolPort-005-610-740
Enamine: Z68196464
Mcule: MCULE-1037896766
PubChem: 17481026...8 total

ref: mol2, SDF, SMILES, flexibase
1.64,9.32,-38.76,1,6,1, 334.403, 3
24579457
 
#15

eMolecules: 31327394
Molport: MolPort-009-121-106
Enamine: Z64817141
Mcule: MCULE-3062862346
UORSY: PB64894609...8 total

ref: mol2, SDF, SMILES, flexibase
1.66,10.22,-26,0,10,0, 441.469, 5
12551437
 
#16

eMolecules: 16695291
Molport: MolPort-005-634-580
Enamine: Z64817089
Mcule: MCULE-6595746969
PubChem: 17506213...7 total

ref: mol2, SDF, SMILES, flexibase
1.68,9.17,-18.84,0,10,0, 441.469, 5
12558947
 
#17

eMolecules: 16707489
Molport: MolPort-005-638-784
Enamine: Z64817076
Mcule: MCULE-3316814885
PubChem: 25357763...7 total

ref: mol2, SDF, SMILES, flexibase
1.70,9.19,-18.21,0,10,0, 441.469, 5
12551439
 
#18

eMolecules: 16695293
Molport: MolPort-005-634-567
Enamine: Z64817102
Mcule: MCULE-5102051097
PubChem: 25352492...7 total

ref: mol2, SDF, SMILES, flexibase
2.08,9.55,-19.55,0,10,0, 455.496, 5
22921735
 
#19

eMolecules: 15272477
Molport: MolPort-005-617-511
Enamine: Z136862722
Mcule: MCULE-2046408837
PubChem: 30730107...7 total

ref: mol2, SDF, SMILES, flexibase
1.27,9.49,-44.48,1,6,1, 354.478, 5
hi: mol2, SDF, SMILES, flexibase
1.27,6.97,-9.43,0,6,0, 353.47, 5
lo: mol2, SDF, SMILES, flexibase
1.27,9.96,-93.68,2,6,2, 355.486, 5

Similar to: 43495947, 55669183,
32908387
 
#20

eMolecules: 27392328
Enamine: Z284223852
Mcule: MCULE-5448211269
PubChem: 40145018
Ambinter: Amb10205103...6 total

ref: mol2, SDF, SMILES, flexibase
0.02,5.55,-47.27,4,7,1, 346.386, 5
hi: mol2, SDF, SMILES, flexibase
0.02,3.36,-16.36,3,7,0, 345.378, 5

Similar to: 31932968,
22782155
 
#21

eMolecules: 15283228
Molport: MolPort-005-617-510
Enamine: Z140103934
Mcule: MCULE-8577732942
PubChem: 30619697...7 total

ref: mol2, SDF, SMILES, flexibase
1.43,9.56,-44.35,1,6,1, 372.468, 5
hi: mol2, SDF, SMILES, flexibase
1.43,7.04,-8.7,0,6,0, 371.46, 5

Similar to: 36686574, 43495947,
6382953
 
#22

TimTec: ST50988495
ChemDB: 6497299
PubChem: 51422118
Ambinter: Amb9798444
ref: mol2, SDF, SMILES, flexibase
2.29,4.38,-39.85,0,8,-1, 300.279, 4
mid: mol2, SDF, SMILES, flexibase
2.29,4.85,-16.01,1,8,0, 301.287, 4
3335452
 
#23

eMolecules: 3327833
Molport: MolPort-004-281-444
Enamine: Z28416741
Mcule: MCULE-8087424357
ChemDB: 7256240...8 total

ref: mol2, SDF, SMILES, flexibase
2.05,-1.53,-12.92,1,8,0, 327.325, 4
36233051
 
#24

Molport: MolPort-012-125-240
Life Chemicals: F2145-0859
Life Chemicals Building Blocks: F2145-0859
Mcule: MCULE-3779689545
Molport BB: MolPort-012-125-240...13 total

ref: mol2, SDF, SMILES, flexibase
0.49,1.69,-53.62,3,6,1, 262.318, 2
mid: mol2, SDF, SMILES, flexibase
0.49,0.01,-10.09,2,6,0, 261.31, 2

Similar to: 36233079,
7777281
 
#25

eMolecules: 11664703
Molport: MolPort-003-192-824
Enamine: Z27332260
Mcule: MCULE-5790781325
Life Chemicals (Virtual): F6195-2892...10 total

ref: mol2, SDF, SMILES, flexibase
2.14,-2.54,-48.51,2,6,1, 352.443, 4

Similar to: 16003240, 77144851, 77144855, 77144858, ... 4 in total.
43273943
 
#26

eMolecules: 33352124
Enamine: Z511606804
Mcule: MCULE-2406297690
PubChem: 51117441
Ambinter: Amb15752446...6 total

ref: mol2, SDF, SMILES, flexibase
2.69,8.62,-14.33,1,6,0, 315.336, 2
46496636
 
#27

eMolecules: 33353322
Enamine: Z511594682
Mcule: MCULE-2092308489
Collaborative Drug Discovery: 1328625
PubChem: 51118187...7 total

ref: mol2, SDF, SMILES, flexibase
3.32,9.01,-12.41,1,6,0, 321.384, 2
58282365
 
#28

eMolecules: 32109557
Enamine: Z872217276
Mcule: MCULE-9400271746
Collaborative Drug Discovery: 1341347
PubChem: 51093635...7 total

ref: mol2, SDF, SMILES, flexibase
2.60,7.97,-12.81,1,6,0, 295.346, 2
47929393
 
#29

eMolecules: 33305235
Enamine: Z595801342
Mcule: MCULE-9690812874
PubChem: 47176298
Ambinter: Amb11319758...6 total

ref: mol2, SDF, SMILES, flexibase
-0.46,1.43,-28.91,2,6,0, 216.2, 2
4996797
 
#30

eMolecules: 2016715
Molport: MolPort-001-017-611
AKOS: AKOS003237277
Alinda: IVK/6223923
Mcule: MCULE-7817138698...16 total

ref: mol2, SDF, SMILES, flexibase
1.27,3.96,-11.36,1,7,0, 244.21, 3
40090878
 
#31

eMolecules: 29602676
Enamine: Z394453674
Mcule: MCULE-6203948313
PubChem: 45886138, 51942864
Ambinter: Amb10733350...7 total

ref: mol2, SDF, SMILES, flexibase
1.52,6.26,-40.25,2,5,1, 283.355, 4
190507
 
#32

eMolecules: 2446832
Molport: MolPort-001-541-329
Scientific Exchange (make on demand): Q-058618
AKOS: AKOS001572563
Alinda: IVK/8176168...24 total

ref: mol2, SDF, SMILES, flexibase
1.30,3.63,-9.99,1,7,0, 244.21, 3
12535689
 
#33

eMolecules: 24108223
Enamine: Z69005986
Mcule: MCULE-5808090541
Collaborative Drug Discovery: 1165453
PubChem: 25342063...7 total

ref: mol2, SDF, SMILES, flexibase
2.64,4.22,-12.97,2,6,0, 295.346, 3
lo: mol2, SDF, SMILES, flexibase
2.64,4.53,-30.6,3,6,1, 296.354, 3

Similar to: 14266291,
15825852
 
#34

eMolecules: 16361347
Molport: MolPort-007-892-822
AKOS: AKOS001582404
Mcule: MCULE-6895324080
AKOS BB (make-on-demand): AKOS001582404...8 total

ref: mol2, SDF, SMILES, flexibase
2.31,4.03,-32.41,2,7,1, 350.402, 3
35336509
 
#35

eMolecules: 11870574
Molport: MolPort-005-790-986
Enamine: Z193272166
Mcule: MCULE-5984430336
PubChem: 16392067...8 total

ref: mol2, SDF, SMILES, flexibase
0.76,1.26,-19.27,2,8,0, 345.384, 4
442163
 
#36

eMolecules: 3972768
Molport: MolPort-001-503-112
AKOS: AKOS003270369
Alinda: IVK/8083826
ChemBridge: 6114104...18 total

ref: mol2, SDF, SMILES, flexibase
1.41,-0.2,-10.94,1,7,0, 262.2, 3
475220
 
#37

eMolecules: 2442736
Molport: MolPort-001-539-377
AKOS: AKOS003274082
Alinda: IVK/8144837
ChemBridge: 7253174...21 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.02,-9.73,1,7,0, 278.655, 3

Similar to: 6321334,
25290202
 
#38

eMolecules: 31893378
Molport: MolPort-007-483-421
Enamine: Z343401994
Mcule: MCULE-8293150426
Collaborative Drug Discovery: 1301475...8 total

ref: mol2, SDF, SMILES, flexibase
0.06,1.57,-41.7,2,7,1, 300.342, 4
mid: mol2, SDF, SMILES, flexibase
0.06,1.29,-11.09,1,7,0, 299.334, 4

Similar to: 25759060,
26000445
 
#39

eMolecules: 25658400
Enamine: Z243543936
Mcule: MCULE-7567499017
PubChem: 33264133
Ambinter: Amb10202668...6 total

ref: mol2, SDF, SMILES, flexibase
0.62,3.18,-38.76,2,6,1, 284.343, 4
mid: mol2, SDF, SMILES, flexibase
0.62,2.98,-10.39,1,6,0, 283.335, 4
32830792
 
#40

eMolecules: 27418462
Enamine: Z373985194
Mcule: MCULE-7160363795
Collaborative Drug Discovery: 1311006
PubChem: 40066874...7 total

ref: mol2, SDF, SMILES, flexibase
0.22,3.22,-37.86,2,6,1, 258.305, 4
mid: mol2, SDF, SMILES, flexibase
0.22,2.93,-10.36,1,6,0, 257.297, 4
31327091
 
#41

eMolecules: 31886960
Enamine: Z333675660
Mcule: MCULE-1636814864
Enamine-REAL: Z333675660
PubChem: 38541612...7 total

ref: mol2, SDF, SMILES, flexibase
0.06,1.86,-43.26,2,7,1, 300.342, 4
mid: mol2, SDF, SMILES, flexibase
0.06,1.45,-11.42,1,7,0, 299.334, 4
46136749
 
#42

eMolecules: 33308474
Enamine: Z510234768
Mcule: MCULE-7489505971
PubChem: 47249635
Ambinter: Amb11398184...6 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.85,-14.59,1,7,0, 258.237, 4

Similar to: 7871432,
10281573
 
#43

eMolecules: 24982353
Enamine: Z115158422
Mcule: MCULE-9264081776
PubChem: 41438166
Ambinter: Amb9148932...6 total

ref: mol2, SDF, SMILES, flexibase
1.73,-0.51,-34.66,2,5,1, 311.409, 5

Similar to: 24189764,
12171660
 
#44

eMolecules: 31867960
Molport: MolPort-007-181-051
Enamine: Z223758336
Mcule: MCULE-8182205358
Collaborative Drug Discovery: 1271084...8 total

ref: mol2, SDF, SMILES, flexibase
0.12,-5.79,-38.76,2,7,1, 300.342, 4

Similar to: 31970534,
40541536
 
#45

eMolecules: 31986362
Enamine: Z437014374
Mcule: MCULE-9104097799
Enamine-REAL: Z437014374
Collaborative Drug Discovery: 1325166...8 total

ref: mol2, SDF, SMILES, flexibase
1.68,6.14,-35.44,2,6,1, 312.397, 4
mid: mol2, SDF, SMILES, flexibase
1.68,5.81,-9.7,1,6,0, 311.389, 4
40118876
 
#46

eMolecules: 29620001
Enamine: Z431823352
Mcule: MCULE-3908450012
Collaborative Drug Discovery: 1322752
PubChem: 45897966...8 total

ref: mol2, SDF, SMILES, flexibase
1.18,5.23,-35.16,2,6,1, 298.37, 4
mid: mol2, SDF, SMILES, flexibase
1.18,4.91,-9.81,1,6,0, 297.362, 4
32818670
 
#47

eMolecules: 27412748
Enamine: Z367103438
Mcule: MCULE-6086153013
Collaborative Drug Discovery: 1308103
PubChem: 40053564...7 total

ref: mol2, SDF, SMILES, flexibase
0.27,3.19,-37.44,2,6,1, 258.305, 4
mid: mol2, SDF, SMILES, flexibase
0.27,2.92,-10.65,1,6,0, 257.297, 4
49460677
 
#48

eMolecules: 32441002
Mcule: MCULE-7075976442
Specs: AG-690/11634684
Life Chemicals (Depleted): F5959-0024
PubChem: 49621052...7 total

ref: mol2, SDF, SMILES, flexibase
-0.57,2.89,-36.45,2,6,1, 232.267, 4
mid: mol2, SDF, SMILES, flexibase
-0.57,2.42,-14.47,1,6,0, 231.259, 4
40434782
 
#49

Molport: MolPort-021-795-194
AK Scientific: 3027AA
Anward: ANW-72163
Ark Pharm Building Blocks: AK-53273
BePharm Building Blocks: B214985...19 total

ref: mol2, SDF, SMILES, flexibase
-0.13,1.02,-46.23,3,5,1, 221.284, 3
40434780
 
#50

Molport: MolPort-021-795-194
AK Scientific: 3027AA
Anward: ANW-72163
Ark Pharm Building Blocks: AK-53273
BePharm Building Blocks: B214985...19 total

ref: mol2, SDF, SMILES, flexibase
-0.13,1.02,-46.25,3,5,1, 221.284, 3
14121300
 
#51

eMolecules: 13471706
Molport: MolPort-005-576-833
Enamine: Z31661132
Mcule: MCULE-4150439905
Collaborative Drug Discovery: 1200845...9 total

ref: mol2, SDF, SMILES, flexibase
2.58,5.95,-37,2,5,1, 303.43, 4

Similar to: 4528023,
46995274
 
#52

eMolecules: 35710376
Molport: MolPort-019-655-554
Enamine: Z423020458
Mcule: MCULE-9253474380
PubChem: 47210403...7 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.67,-38.11,2,5,1, 247.322, 2
46995272
 
#53

eMolecules: 35710376
Molport: MolPort-019-655-554
Enamine: Z423020458
Mcule: MCULE-9253474380
PubChem: 47210403...7 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.97,-38.69,2,5,1, 247.322, 2
40459683
 
#54

eMolecules: 29646508
Molport: MolPort-009-031-420
Enamine: Z32353892
Mcule: MCULE-1687163129
PubChem: 45793955...7 total

ref: mol2, SDF, SMILES, flexibase
1.48,6.14,-42.89,2,5,1, 297.382, 4

Similar to: 4922944, 5073880, 5073885, 5096118, 5096119, ... 12 in total.
58179168
 
#55

eMolecules: 32067824
Molport: MolPort-009-092-816
Enamine: Z757803118
Mcule: MCULE-8560720692
PubChem: 47067274...8 total

ref: mol2, SDF, SMILES, flexibase
2.35,7.14,-48.82,2,5,1, 365.379, 5
hi: mol2, SDF, SMILES, flexibase
2.35,4.9,-9.64,1,5,0, 364.371, 5

Similar to: 6504950, 4424384, 6683449, 4802235, 43619396, ... 5 in total.
40434787
 
#56

Molport: MolPort-021-795-192
AK Scientific: 3023AA
Anward: ANW-72161
Ark Pharm Building Blocks: AK-53275
BePharm Building Blocks: B214987...21 total

ref: mol2, SDF, SMILES, flexibase
-0.51,0.32,-46.86,3,5,1, 207.257, 2
40434785
 
#57

Molport: MolPort-021-795-192
AK Scientific: 3023AA
Anward: ANW-72161
Ark Pharm Building Blocks: AK-53275
BePharm Building Blocks: B214987...22 total

ref: mol2, SDF, SMILES, flexibase
-0.51,0.32,-46.85,3,5,1, 207.257, 2
9157650
 
#58

eMolecules: 11928740
Molport: MolPort-005-530-771
Enamine: Z30475660
Mcule: MCULE-9018226065
Collaborative Drug Discovery: 1197979...8 total

ref: mol2, SDF, SMILES, flexibase
1.41,-0.45,-14.1,0,8,0, 313.317, 3
44919011
 
#59

eMolecules: 31920532
Enamine: Z384335184
Mcule: MCULE-4415305756
PubChem: 45816552
Ambinter: Amb10643985...6 total

ref: mol2, SDF, SMILES, flexibase
1.37,7.72,-42.35,1,5,1, 303.411, 3
mid: mol2, SDF, SMILES, flexibase
1.37,5.87,-9.17,0,5,0, 302.403, 3
44911323
 
#60

eMolecules: 31897954
Enamine: Z361342946
Mcule: MCULE-6632682513
PubChem: 45811779
Ambinter: Amb10638028...6 total

ref: mol2, SDF, SMILES, flexibase
0.45,6.19,-40.63,1,6,1, 291.375, 3

Similar to: 4927753, 34855023, 700201, 700202, 700205, ... 20 in total.
44911320
 
#61

eMolecules: 31897954
Enamine: Z361342946
Mcule: MCULE-6632682513
PubChem: 45811779
Ambinter: Amb10638028...6 total

ref: mol2, SDF, SMILES, flexibase
0.45,6.14,-40.07,1,6,1, 291.375, 3

Similar to: 4927753, 34855023, 700201, 700202, 700205, ... 20 in total.
58419115
 
#62

eMolecules: 33364737
Enamine: Z928035474
Mcule: MCULE-3291091751
PubChem: 51128398, 52536365
Ambinter: Amb15218447...7 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.96,-49.59,2,6,1, 370.383, 3
mid: mol2, SDF, SMILES, flexibase
1.93,7.51,-13.99,1,6,0, 369.375, 3
36349354
 
#63

eMolecules: 35947074
PubChem: 46033091
Ambinter: Amb7650227
ref: mol2, SDF, SMILES, flexibase
3.67,9.81,-45.27,2,4,1, 366.51, 5

Similar to: 13831610, 13831621, 13831665,
36346907
 
#64

PubChem: 46032160
Ambinter: Amb7648406
ref: mol2, SDF, SMILES, flexibase
3.40,8.92,-43.83,2,4,1, 344.866, 5
21931260
 
#65

PubChem: 46345764
SMDC CDiv Kinase: 146283
Ambinter: Amb16539432
ref: mol2, SDF, SMILES, flexibase
-0.07,1.44,-41.43,0,9,-1, 404.424, 4
mid: mol2, SDF, SMILES, flexibase
-0.07,1.37,-17.77,1,9,0, 405.432, 4
35196660
 
#66

PubChem: 46345794
Ambinter: Amb16539420
ref: mol2, SDF, SMILES, flexibase
2.62,8.85,-51.28,1,7,1, 443.593, 5
mid: mol2, SDF, SMILES, flexibase
2.62,6.81,-13.77,0,7,0, 442.585, 5
35576825
 
#67

Innovapharm BB Make on Demand: BBV-00005686
ChemDB: 7116278
PubChem: 4738553
AKOS (make-on-demand): AKOS002664378
Ambinter: Amb2795632...5 total

ref: mol2, SDF, SMILES, flexibase
0.42,4.77,-40.91,0,5,-1, 227.199, 3
35576864
 
#68

Innovapharm BB Make on Demand: BBV-00005747
ChemDB: 7116309
PubChem: 4738580
Ambinter: Amb2795663
ref: mol2, SDF, SMILES, flexibase
0.47,4.77,-40.74,0,5,-1, 227.199, 3
35576867
 
#69

Innovapharm BB Make on Demand: BBV-00005748
ChemDB: 7116310
PubChem: 4738581
Ambinter: Amb2795664
ref: mol2, SDF, SMILES, flexibase
0.54,5.65,-47.08,0,5,-1, 227.199, 3
35576831
 
#70

Innovapharm BB Make on Demand: BBV-00005689
ChemDB: 7116280
PubChem: 4738555
AKOS (make-on-demand): AKOS002664387
Ambinter: Amb2795635...5 total

ref: mol2, SDF, SMILES, flexibase
1.71,6.51,-42.46,0,4,-1, 226.211, 3
71283835
 
#71

eMolecules: 36510733
Molport: MolPort-019-828-661
AKOS: AKOS005752138
IBScreen: STOCK7S-20445
Mcule: MCULE-3114910363...9 total

ref: mol2, SDF, SMILES, flexibase
2.66,8.82,-62.19,3,8,-1, 372.364, 4
71283424
 
#72

eMolecules: 36510106, 49407277
Molport: MolPort-019-828-344, MolPort-027-847-819
AKOS: AKOS005762012
IBScreen: STOCK7S-20056
Mcule: MCULE-7088182522...12 total

ref: mol2, SDF, SMILES, flexibase
2.99,9.23,-62.97,3,8,-1, 386.391, 4
71279807
 
#73

eMolecules: 36506213
Molport: MolPort-019-826-414
AKOS: AKOS005753465
IBScreen: STOCK7S-17684
Mcule: MCULE-3498068060...9 total

ref: mol2, SDF, SMILES, flexibase
3.01,9.21,-56.13,3,8,-1, 386.391, 4
15733128
 
#74

eMolecules: 16278215
Molport: MolPort-007-831-787
AKOS: AKOS002025904
Mcule: MCULE-4693520127
PubChem: 20943434...7 total

ref: mol2, SDF, SMILES, flexibase
3.63,11.65,-49.9,2,6,1, 406.554, 6

Similar to: 23312693, 23314626, 23314629, 23314639, 23314642, ... 11 in total.
33039934
 
#75

eMolecules: 24402904
Molport: MolPort-007-831-786
AKOS: AKOS002025810
Mcule: MCULE-2928998969
Individual Suppliers: UNNAMED00001263...8 total

ref: mol2, SDF, SMILES, flexibase
3.12,11.41,-51.15,2,6,1, 392.527, 6

Similar to: 23310180, 23312693, 23314639, 23314642, 23317035, ... 8 in total.
21537990
 
#76

eMolecules: 17464305
Molport: MolPort-007-831-788
AKOS: AKOS002025905
Mcule: MCULE-5547578766
PubChem: 46338401...7 total

ref: mol2, SDF, SMILES, flexibase
2.62,10.58,-51.06,2,6,1, 378.5, 6

Similar to: 23312693, 23315563,
2384359
 
#77

ChemMol: 96708693
Molport: MolPort-002-855-390
KeyOrganics: 11R-0055
Mcule: MCULE-6854750673
ChemDB: 4693495...9 total

ref: mol2, SDF, SMILES, flexibase
3.57,11.74,-52.01,1,8,-1, 476.563, 5
35707191
 
#78

PubChem: 42659788
Ambinter: Amb8633998
ref: mol2, SDF, SMILES, flexibase
2.70,9.82,-50.33,2,6,1, 384.891, 5
35709969
 
#79

eMolecules: 25074342
PubChem: 42660957
Ambinter: Amb8634574
ref: mol2, SDF, SMILES, flexibase
4.29,14.45,-17.04,0,9,0, 484.56, 5
69416019
 
#80

eMolecules: 34298509
Molport: MolPort-020-018-781
Enamine: Z26780891
Mcule: MCULE-5704880352
UORSY: PB26858359...8 total

ref: mol2, SDF, SMILES, flexibase
2.90,7.28,-13.15,2,5,0, 309.369, 5
lo: mol2, SDF, SMILES, flexibase
2.90,8.11,-37.44,3,5,1, 310.377, 5
7995709
 
#81

eMolecules: 6261341
AKOS: AKOS001884009
Mcule: MCULE-3926756995
Princeton BioMolecular Research: OSSK_840504
PubChem: 9123679...7 total

ref: mol2, SDF, SMILES, flexibase
3.31,-4.01,-17.23,2,5,0, 348.431, 5

Similar to: 30657227, 30659092, 30659109, 44514249, 44514251, ... 5 in total.
219633
 
#82

eMolecules: 16399128
Molport: MolPort-007-936-078
AKOS: AKOS002124031
ChemDiv: K786-6689
Mcule: MCULE-2690251542...9 total

ref: mol2, SDF, SMILES, flexibase
2.40,-0.38,-12.98,1,5,0, 314.316, 4

Similar to: 28030737, 36767978,
12744771
 
#83

eMolecules: 18825335
Molport: MolPort-005-742-719
Enamine: Z289162076
Mcule: MCULE-9689855926
PubChem: 42944711...8 total

ref: mol2, SDF, SMILES, flexibase
2.85,10.61,-15.41,1,6,0, 434.517, 3

Similar to: 26048345, 26050663, 26051044, 26406865, 26406867, ... 11 in total.
12744767
 
#84

eMolecules: 18825335
Molport: MolPort-005-742-719
Enamine: Z289162076
Mcule: MCULE-9689855926
PubChem: 42944711...8 total

ref: mol2, SDF, SMILES, flexibase
2.85,10.58,-15.42,1,6,0, 434.517, 3

Similar to: 26048345, 26050663, 26051044, 26406865, 26406867, ... 11 in total.
58203226
 
#85

eMolecules: 32147615
Enamine: Z970821890
Mcule: MCULE-6779645806
PubChem: 51129819, 52511053
Ambinter: Amb15763058...7 total

ref: mol2, SDF, SMILES, flexibase
1.98,8.43,-15.91,1,6,0, 366.417, 3
58203225
 
#86

eMolecules: 32147615
Enamine: Z970821890
Mcule: MCULE-6779645806
PubChem: 51129819, 52511052
Ambinter: Amb15763058...7 total

ref: mol2, SDF, SMILES, flexibase
1.98,8.43,-15.69,1,6,0, 366.417, 3
32593997
 
#87

eMolecules: 27641245
Molport: MolPort-004-849-117
AKOS: AKOS015859646
Innovapharm: STT-00385571
Mcule: MCULE-4677795195...12 total

ref: mol2, SDF, SMILES, flexibase
4.03,8.93,-22.8,1,7,0, 399.406, 4
32593996
 
#88

eMolecules: 27641245
Molport: MolPort-004-849-117
AKOS: AKOS015859646
Innovapharm: STT-00385571
Mcule: MCULE-4677795195...12 total

ref: mol2, SDF, SMILES, flexibase
4.03,8.91,-22.73,1,7,0, 399.406, 4
10815709
 
#89

eMolecules: 13481772
Molport: MolPort-005-582-533
Enamine: Z221485460
Mcule: MCULE-8366319491
PubChem: 41677704...8 total

ref: mol2, SDF, SMILES, flexibase
2.10,0.28,-26.18,1,8,0, 363.377, 4
10815706
 
#90

eMolecules: 13481772
Molport: MolPort-005-582-533
Enamine: Z221485460
Mcule: MCULE-8366319491
PubChem: 41677703...8 total

ref: mol2, SDF, SMILES, flexibase
2.10,0.3,-25.78,1,8,0, 363.377, 4
6278155
 
#91

eMolecules: 17206607
Molport: MolPort-005-689-512
Enamine: Z30414891
Mcule: MCULE-6512905078
PubChem: 24245988...8 total

ref: mol2, SDF, SMILES, flexibase
3.07,-0.52,-19.87,1,7,0, 390.443, 3

Similar to: 43517407, 43517409, 6278152,
6278152
 
#92

eMolecules: 17206607
Molport: MolPort-005-689-512
Enamine: Z30414891
Mcule: MCULE-6512905078
PubChem: 24245988...8 total

ref: mol2, SDF, SMILES, flexibase
3.07,-0.48,-27.42,1,7,0, 390.443, 3

Similar to: 6278155, 43517407, 43517409,
5032617
 
#93

AKOS: AKOS002238857
Innovapharm: STT-00247704
Otava: 7119830406
Innovapharm Make-on-Demand: VT-00530378
TimTec Make-on-Demand: ST50755689...9 total

ref: mol2, SDF, SMILES, flexibase
2.47,-0.32,-21.65,1,8,0, 393.428, 3

Similar to: 5032614,
5032614
 
#94

AKOS: AKOS002238857
Innovapharm: STT-00247704
Otava: 7119830406
Innovapharm Make-on-Demand: VT-00530378
TimTec Make-on-Demand: ST50755689...9 total

ref: mol2, SDF, SMILES, flexibase
2.47,-0.34,-21.71,1,8,0, 393.428, 3

Similar to: 5032617,
12535760
 
#95

eMolecules: 24105341
Molport: MolPort-005-722-929
Enamine: Z52371440
Mcule: MCULE-2190284395
PubChem: 25342131...8 total

ref: mol2, SDF, SMILES, flexibase
3.84,9.08,-23.64,2,6,0, 371.396, 3

Similar to: 12535759,
12535759
 
#96

eMolecules: 24105341
Molport: MolPort-005-722-929
Enamine: Z52371440
Mcule: MCULE-2190284395
PubChem: 25342130...8 total

ref: mol2, SDF, SMILES, flexibase
3.84,9.1,-24.24,2,6,0, 371.396, 3

Similar to: 12535760,
9516031
 
#97

eMolecules: 3701874
Molport: MolPort-004-211-907
Enamine: Z52061684
Mcule: MCULE-9451703164
PubChem: 16365429...8 total

ref: mol2, SDF, SMILES, flexibase
2.55,-1.18,-19.78,1,5,0, 352.415, 3

Similar to: 9516030,
9516030
 
#98

eMolecules: 3701874
Molport: MolPort-004-211-907
Enamine: Z52061684
Mcule: MCULE-9451703164
PubChem: 16365429...8 total

ref: mol2, SDF, SMILES, flexibase
2.55,-1.19,-19.81,1,5,0, 352.415, 3

Similar to: 9516031,
32996091
 
#99

eMolecules: 25024929
Enamine: Z30003272
Mcule: MCULE-4092842388
PubChem: 42908522, 40217300
Ambinter: Amb9168936...7 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.75,-27.55,2,8,0, 414.439, 6
32996093
 
#100

eMolecules: 25024929
Enamine: Z30003272
Mcule: MCULE-4092842388
PubChem: 42908522, 40217301
Ambinter: Amb9168936...7 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.73,-27.19,2,8,0, 414.439, 6

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 = 111 ) limit 0,100

Smiles were