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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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28627907
 
#1

eMolecules: 49200705
AKOS: AKOS002306701
Innovapharm: STT-00291772
Princeton BioMolecular Research: OSSK_183022
Innovapharm Make-on-Demand: VT-00072136...9 total

ref: mol2, SDF, SMILES, flexibase
2.78,10.12,-21.89,1,8,0, 466.563, 7
hi: mol2, SDF, SMILES, flexibase
2.78,10.92,-63.83,0,8,-1, 465.555, 7
28627909
 
#2

eMolecules: 49200705
AKOS: AKOS002306701
Innovapharm: STT-00291772
Princeton BioMolecular Research: OSSK_183022
Innovapharm Make-on-Demand: VT-00072136...9 total

ref: mol2, SDF, SMILES, flexibase
2.78,10.12,-22.15,1,8,0, 466.563, 7
hi: mol2, SDF, SMILES, flexibase
2.78,10.91,-63.05,0,8,-1, 465.555, 7
12139023
 
#3

eMolecules: 33409461
Molport: MolPort-007-999-477
AKOS: AKOS002306680
Innovapharm: STT-00291771
Mcule: MCULE-9891186284...11 total

ref: mol2, SDF, SMILES, flexibase
6.18,1.87,-13.7,0,6,0, 454.573, 10
152527
 
#4

eMolecules: 1001709
Molport: MolPort-001-812-551
Scientific Exchange (make on demand): R-061735
AKOS: AKOS000524932
ChemBridge: 5156325...27 total

ref: mol2, SDF, SMILES, flexibase
2.53,7.28,-27.78,2,6,0, 322.368, 3
5010166
 
#5

eMolecules: 2089025
Molport: MolPort-002-117-147
AKOS: AKOS002306655
ChemBridge: 5635112
Innovapharm: STT-00011342...12 total

ref: mol2, SDF, SMILES, flexibase
0.91,3.82,-11.76,2,4,0, 241.341, 5
2703277
 
#6

eMolecules: 2157211
Molport: MolPort-004-246-843
AKOS: AKOS001019464
Enamine: Z56794682
Innovapharm: STT-00291768...12 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.67,-16.26,3,4,0, 244.341, 7
12139022
 
#7

eMolecules: 16868671
Molport: MolPort-007-999-476
AKOS: AKOS002306654
Innovapharm: STT-00291767
Life Chemicals: F3328-0108...15 total

ref: mol2, SDF, SMILES, flexibase
2.31,-0.56,-16.18,1,6,0, 300.343, 5
mid: mol2, SDF, SMILES, flexibase
2.31,-0.3,-45.5,2,6,1, 301.351, 5
12139021
 
#8

eMolecules: 31277623
Molport: MolPort-007-999-475
AKOS: AKOS002306632
Innovapharm: STT-00291766
Mcule: MCULE-3825067918...12 total

ref: mol2, SDF, SMILES, flexibase
6.28,3.29,-9.47,0,4,0, 404.413, 7
13555049
 
#9

eMolecules: 5424306
Molport: MolPort-002-351-724
AKOS: AKOS002306631
Innovapharm: STT-00291765, STT-00011317
Life Chemicals: F0331-0248...15 total

ref: mol2, SDF, SMILES, flexibase
3.33,8.78,-16.46,3,4,0, 364.268, 5

Similar to: 15843816, 31555254, 6253225, 6568436, ... 4 in total.
4567547
 
#10

eMolecules: 207313167
Molport: MolPort-019-762-761
AKOS: AKOS000963533
Innovapharm: STT-00011293, STT-00291764
Mcule: MCULE-5455109285...13 total

ref: mol2, SDF, SMILES, flexibase
3.92,-1.07,-11.48,2,4,0, 333.844, 6

Similar to: 6299288, 6374125, 6492820, 16998311, 33720441, ... 11 in total.
2163741
 
#11

eMolecules: 1200216
Molport: MolPort-001-896-526
AKOS: AKOS002306609
ChemBridge: 7818367
Innovapharm: STT-00107656...12 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.61,-19.95,3,4,0, 224.285, 5
13496772
 
#12

eMolecules: 2028228
Molport: MolPort-002-270-955
AKOS: AKOS002306608
ChemBridge: 7820679
Innovapharm: STT-00107654...15 total

ref: mol2, SDF, SMILES, flexibase
1.72,3.46,-9.48,4,3,0, 207.302, 4
8680977
 
#13

eMolecules: 2027135
Molport: MolPort-002-269-819
AKOS: AKOS002306585
ChemBridge: 7800340
Innovapharm: STT-00291761...15 total

ref: mol2, SDF, SMILES, flexibase
1.77,4.21,-12.1,4,5,0, 238.316, 5

Similar to: 33712119,
12138995
 
#14

eMolecules: 31277621
Molport: MolPort-007-999-474
AKOS: AKOS002306584
Innovapharm: STT-00291760
Mcule: MCULE-7557630417...12 total

ref: mol2, SDF, SMILES, flexibase
6.24,-1.9,-13.89,1,4,0, 394.503, 5
9421903
 
#15

eMolecules: 13579577
Molport: MolPort-000-860-408
AKOS: AKOS000423075
IBScreen: STOCK6S-32396
Innovapharm: STT-00291759...12 total

ref: mol2, SDF, SMILES, flexibase
2.87,0.21,-10.89,1,3,0, 266.344, 1

Similar to: 39126598,
28295599
 
#16

Scientific Exchange (make on demand): POD_21/0711
AKOS: AKOS002306542
Innovapharm: STT-00291757
TimTec Make-on-Demand: ST50774312
PubChem: 10608468...5 total

ref: mol2, SDF, SMILES, flexibase
1.03,3.18,-8.93,1,5,0, 209.201, 4

Similar to: 35803691,
28295597
 
#17

AKOS: AKOS002306541
Innovapharm: STT-00291756
TimTec Make-on-Demand: ST50774311
PubChem: 35582146
Ambinter: Amb2774924...5 total

ref: mol2, SDF, SMILES, flexibase
3.09,7.68,-10.49,1,5,0, 338.285, 6
hi: mol2, SDF, SMILES, flexibase
3.16,7.05,-44.48,0,5,-1, 337.277, 6
4006278
 
#18

eMolecules: 623289
AK Scientific: V7786
AKOS: AKOS002305812
Angene Building Blocks: AGN-PC-0KON4B
Anward: ANW-37271...32 total

ref: mol2, SDF, SMILES, flexibase
-0.11,2.39,-14.18,1,4,0, 191.186, 1
6073468
 
#19

eMolecules: 1267812
Molport: MolPort-001-944-753
Scientific Exchange (make on demand): POD_57/0700
AKOS: AKOS000639215
Asinex: BAS00729629...21 total

ref: mol2, SDF, SMILES, flexibase
0.37,-5.02,-14.13,0,8,0, 404.539, 6

Similar to: 8247304, 9987868, 41770959,
12139037
 
#20

eMolecules: 16868653, 31299338
Molport: MolPort-005-288-816, MolPort-004-868-445
AKOS: AKOS002306496
Innovapharm: STT-00291751
Labotest: LT01751638...17 total

ref: mol2, SDF, SMILES, flexibase
2.44,9.89,-18.66,2,8,0, 417.516, 7
mid: mol2, SDF, SMILES, flexibase
2.44,10.38,-47.46,3,8,1, 418.524, 7

Similar to: 33328720, 33328721,
902000
 
#21

eMolecules: 1420299
Molport: MolPort-001-603-349
AKOS: AKOS000557328
Asinex: BAS03153824
ChemBridge: 7662503...22 total

ref: mol2, SDF, SMILES, flexibase
2.85,0.16,-10.38,0,6,0, 373.356, 5
12139036
 
#22

eMolecules: 16868651
Molport: MolPort-007-999-470
AKOS: AKOS002306443
Innovapharm: STT-00291746
Labotest: LT01751583...15 total

ref: mol2, SDF, SMILES, flexibase
-0.33,-7.21,-15.19,4,6,0, 258.328, 6
920822
 
#23

eMolecules: 1439451
Molport: MolPort-001-027-866
Scientific Exchange (make on demand): X-018294
AKOS: AKOS000641062
Alinda: IBS-L0124560...23 total

ref: mol2, SDF, SMILES, flexibase
1.57,5.24,-18.55,0,8,0, 448.57, 6
36626591
 
#24

AKOS: AKOS002306442
Innovapharm: STT-00291744
TimTec Make-on-Demand: ST50774302
PubChem: 43842181
Ambinter: Amb2774915...7 total

ref: mol2, SDF, SMILES, flexibase
-0.49,-0.34,-11.23,3,6,0, 259.36, 3
mid: mol2, SDF, SMILES, flexibase
-0.49,0.99,-52.76,4,6,1, 260.368, 3

Similar to: 5059367, 7535407, 19797576, 8066731, 8066739, ... 5 in total.
12136867
 
#25

eMolecules: 13602729
Molport: MolPort-004-929-463
AKOS: AKOS002306417
Innovapharm: STT-00291742
Life Chemicals: F3261-0197...11 total

ref: mol2, SDF, SMILES, flexibase
3.27,0.3,-13.26,1,6,0, 388.42, 6

Similar to: 12136868,
12136868
 
#26

eMolecules: 13602729
Molport: MolPort-004-929-463
AKOS: AKOS002306417
Innovapharm: STT-00291742
Life Chemicals: F3261-0197...11 total

ref: mol2, SDF, SMILES, flexibase
3.27,0.3,-13.52,1,6,0, 388.42, 6

Similar to: 12136867,
12136859
 
#27

eMolecules: 13602727
Molport: MolPort-004-929-459
AKOS: AKOS002306393
Innovapharm: STT-00291741
Life Chemicals: F3261-0196...11 total

ref: mol2, SDF, SMILES, flexibase
3.91,-0.41,-7.98,1,4,0, 336.775, 3

Similar to: 12136860,
12136860
 
#28

eMolecules: 13602727
Molport: MolPort-004-929-459
AKOS: AKOS002306393
Innovapharm: STT-00291741
Life Chemicals: F3261-0196...11 total

ref: mol2, SDF, SMILES, flexibase
3.91,-0.33,-7.59,1,4,0, 336.775, 3

Similar to: 12136859,
12289127
 
#29

AKOS: AKOS002306392
Innovapharm: STT-00291740
Life Chemicals: F3261-0195
Mcule: MCULE-4539577535
TimTec Make-on-Demand: ST50774298...8 total

ref: mol2, SDF, SMILES, flexibase
2.27,-1.63,-6.78,1,4,0, 333.182, 4

Similar to: 36626560, 36626561,
12289128
 
#30

AKOS: AKOS002306392
Innovapharm: STT-00291740
Life Chemicals: F3261-0195
Mcule: MCULE-4539577535
TimTec Make-on-Demand: ST50774298...8 total

ref: mol2, SDF, SMILES, flexibase
2.27,-1.61,-6.31,1,4,0, 333.182, 4

Similar to: 36626560, 36626561,
28627924
 
#31

eMolecules: 207077321
Molport: MolPort-003-056-400
AKOS: AKOS002306744
Innovapharm: STT-00010992, STT-00291738
Life Chemicals: F0856-0064...12 total

ref: mol2, SDF, SMILES, flexibase
0.72,4.37,-28.54,2,6,0, 262.265, 5
12289124
 
#32

eMolecules: 13602721
Molport: MolPort-005-287-358
AKOS: AKOS002306743
Innovapharm: STT-00291737
Life Chemicals: F3261-0192...11 total

ref: mol2, SDF, SMILES, flexibase
3.04,2.67,-10.54,0,6,0, 388.42, 7
12289125
 
#33

eMolecules: 13602721
Molport: MolPort-005-287-358
AKOS: AKOS002306743
Innovapharm: STT-00291737
Life Chemicals: F3261-0192...11 total

ref: mol2, SDF, SMILES, flexibase
3.04,2.52,-10.65,0,6,0, 388.42, 7
12112954
 
#34

eMolecules: 45810029
AKOS: AKOS002306700
Innovapharm: STT-00291733
Life Chemicals: F3261-0188
Mcule: MCULE-1967919933...9 total

ref: mol2, SDF, SMILES, flexibase
3.09,2.11,-9.28,0,4,0, 342.395, 3

Similar to: 12112955, 39857134, 39857157, 39857319, 39857320, ... 26 in total.
12289116
 
#35

eMolecules: 13602711
Molport: MolPort-004-929-364
AKOS: AKOS002306678
Innovapharm: STT-00291729
Life Chemicals: F3261-0184...11 total

ref: mol2, SDF, SMILES, flexibase
3.26,0.58,-11.49,1,5,0, 358.394, 4
12289117
 
#36

eMolecules: 13602711
Molport: MolPort-004-929-364
AKOS: AKOS002306678
Innovapharm: STT-00291729
Life Chemicals: F3261-0184...11 total

ref: mol2, SDF, SMILES, flexibase
3.26,0.68,-12.08,1,5,0, 358.394, 4
26569979
 
#37

eMolecules: 15751463
Molport: MolPort-002-351-684
AKOS: AKOS002306653
Innovapharm: STT-00107456, STT-00291727
Princeton BioMolecular Research: OSSK_290808...8 total

ref: mol2, SDF, SMILES, flexibase
2.91,6.17,-12.16,3,5,0, 298.371, 5
12113015
 
#38

eMolecules: 45810031
AKOS: AKOS002306630
Innovapharm: STT-00291725
Life Chemicals: F3261-0200
Mcule: MCULE-6140009335...9 total

ref: mol2, SDF, SMILES, flexibase
3.54,2.18,-11.33,0,4,0, 338.432, 3

Similar to: 39856933, 39856934, 39856975, 39856976, 39856977, ... 101 in total.
2169239
 
#39

ChemMol: 44033288
Molport: MolPort-001-764-241
AK Scientific: Y6763
AKOS: AKOS002305793
Chembo Pharma: KB-180042...24 total

ref: mol2, SDF, SMILES, flexibase
-0.66,-0.43,-11.8,4,4,0, 208.308, 7

Similar to: 32153765, 39274440, 39274441, 39274442, ... 4 in total.
5214091
 
#40

eMolecules: 46397832
AKOS: AKOS002306607
American Custom Chemicals Corp.: HCH0193307
Innovapharm: STT-00291722
Mcule: MCULE-8675029619...12 total

ref: mol2, SDF, SMILES, flexibase
4.25,1.36,-10.05,0,3,0, 374.259, 2

Similar to: 5214092, 39856933, 39856934, 39856994, 39857008, ... 20 in total.
5214265
 
#41

eMolecules: 45811015
AKOS: AKOS002306606
Innovapharm: STT-00291721
Life Chemicals: F3261-0182
Mcule: MCULE-7473739581...12 total

ref: mol2, SDF, SMILES, flexibase
3.44,2.14,-10.2,0,3,0, 295.363, 2

Similar to: 39856933, 39856934, 39856935, 39856936, 39856937, ... 96 in total.
28166496
 
#42

AKOS: AKOS002306583
Innovapharm: STT-00291720
Mcule: MCULE-7390831267
Innovapharm Make-on-Demand: VT-00159720
ChemDB: 7139947...8 total

ref: mol2, SDF, SMILES, flexibase
2.78,6.87,-12.83,1,5,0, 341.388, 3

Similar to: 39856937, 39856938, 39856940, 39856944, 39856945, ... 79 in total.
5214267
 
#43

eMolecules: 46397834
AKOS: AKOS002201454
Innovapharm: STT-00291719, STT-00172389
Mcule: MCULE-8256151811
Vitas-M: STL069903...14 total

ref: mol2, SDF, SMILES, flexibase
2.96,0.17,-11.87,1,4,0, 311.362, 2

Similar to: 39856933, 39856934, 39856936, 39856937, 39856938, ... 96 in total.
11847386
 
#44

eMolecules: 5677835
AKOS: AKOS002160834
Innovapharm: STT-00291718, STT-00004026
Life Chemicals: F0861-0053
Mcule: MCULE-9185832799...16 total

ref: mol2, SDF, SMILES, flexibase
3.14,6.87,-12.9,1,5,0, 290.344, 5
67547
 
#45

eMolecules: 2142079
AKOS: AKOS002160855
ChemBridge: 6368567
IBScreen: STOCK2S-38434
Innovapharm: STT-00291717...20 total

ref: mol2, SDF, SMILES, flexibase
3.91,1.02,-10.5,0,4,0, 288.372, 5

Similar to: 7253328, 16755326,
3913645
 
#46

eMolecules: 10678256
Molport: MolPort-004-568-400
Scientific Exchange Building Blocks: F-351623
AKOS: AKOS001327528
Anward: ANW-71230...32 total

ref: mol2, SDF, SMILES, flexibase
1.87,6.05,-10.74,0,2,0, 177.178, 2

Similar to: 34610330, 34610331, 34975642, 34975644, 34975646, ... 11 in total.
3913644
 
#47

eMolecules: 10678256
Molport: MolPort-004-568-400
Scientific Exchange Building Blocks: F-351623
AKOS: AKOS001327528
Anward: ANW-71230...32 total

ref: mol2, SDF, SMILES, flexibase
1.87,6.04,-10.31,0,2,0, 177.178, 2

Similar to: 3913645, 34610330, 34610331, 34975642, 34975644, ... 11 in total.
5191913
 
#48

Molport: MolPort-003-891-679
AKOS: AKOS000276350
Aldrich CPR: R162523|ALDRICH
Innovapharm: STT-00291715
Innovapharm Building Blocks: BBS-00012985...15 total

ref: mol2, SDF, SMILES, flexibase
1.27,3.81,-8.21,0,3,0, 152.197, 2
10493678
 
#49

eMolecules: 904072
Molport: MolPort-003-178-914
Scientific Exchange (make on demand): F-244254
AKOS: AKOS001327642
Aldrich CPR: CDS005629|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
2.14,0.3,-5.76,2,3,0, 192.193, 1

Similar to: 26512381, 26512383, 26512424, 26512540, 26512596, ... 8 in total.
10493671
 
#50

AKOS: AKOS002305775
Innovapharm: STT-00291712
TimTec Make-on-Demand: ST50774277
PubChem: 43842178
ref: mol2, SDF, SMILES, flexibase
0.94,3.62,-8.99,1,5,0, 201.222, 5
6677761
 
#51

ChemMol: 42301620
eMolecules: 1522696
Molport: MolPort-002-017-558
Aldrich CPR: CDS018585|ALDRICH
Asinex: BAS10149527...26 total

ref: mol2, SDF, SMILES, flexibase
2.03,3.17,-6.77,3,4,0, 203.245, 2
mid: mol2, SDF, SMILES, flexibase
2.03,3.4,-28.96,4,4,1, 204.253, 2
mid: mol2, SDF, SMILES, flexibase
2.03,3.21,-7.8,3,4,0, 203.245, 2

Similar to: 26511411, 26511419,
8745748
 
#52

eMolecules: 11489359
Molport: MolPort-004-568-729
AKOS: AKOS000276348
Aldrich CPR: CDS004992|ALDRICH
Ark Pharm Building Blocks: AK106829...24 total

ref: mol2, SDF, SMILES, flexibase
2.71,0.39,-5.64,2,3,0, 206.22, 2

Similar to: 26512396, 26512398, 26512413, 26512419, 26512422, ... 30 in total.
8745749
 
#53

eMolecules: 11489361
Molport: MolPort-004-568-730
AKOS: AKOS000276327
Ark Pharm Building Blocks: AK106830
Chembo Pharma: KB-88363...23 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.93,-6.71,2,3,0, 219.263, 2

Similar to: 26511717, 26511720, 26511723, 26511750, 26511752, ... 28 in total.
8745750
 
#54

eMolecules: 1517914
Molport: MolPort-002-015-894
Scientific Exchange (make on demand): F-212013
AKOS: AKOS000269290
Aldrich CPR: CDS004991|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
2.61,4.88,-5.72,3,3,0, 205.236, 2
mid: mol2, SDF, SMILES, flexibase
2.61,4.88,-31.66,4,3,1, 206.244, 2

Similar to: 26511329, 34975860, 34975864, 34975866, 34975885, ... 6 in total.
8793749
 
#55

ChemMol: 96700207, 30102292, 44024824
eMolecules: 3769168, 1972094, 484090
Molport: MolPort-001-597-239, MolPort-001-616-780
Scientific Exchange: M-865612
Scientific Exchange (make on demand): POD_18/0631...118 total

ref: mol2, SDF, SMILES, flexibase
1.07,3.4,-9.84,1,3,0, 160.176, 0

Similar to: 36448815, 39644186, 5729165,
8844009
 
#56

eMolecules: 11962750
Molport: MolPort-004-568-401
AKOS: AKOS000276332
Alinda Building Blocks: ALBB-020776
Chembo Pharma: KB-98791...20 total

ref: mol2, SDF, SMILES, flexibase
0.71,-1.44,-10.37,2,5,0, 268.338, 3
8845065
 
#57

eMolecules: 11713981
Molport: MolPort-004-555-662
AKOS: AKOS001339480
ChemBridge: 9195747
Enamine: Z228590076...13 total

ref: mol2, SDF, SMILES, flexibase
1.58,2.34,-8.13,2,5,0, 218.212, 3
6678070
 
#58

eMolecules: 5769467
AK Scientific: 9987AE
AKOS: AKOS000301836
Aldrich CPR: CDS014118|ALDRICH
Asinex: ASN15392624...30 total

ref: mol2, SDF, SMILES, flexibase
2.06,0.05,-8,1,2,0, 149.193, 1

Similar to: 36458549, 39261247,
10493647
 
#59

AKOS: AKOS002305733
Innovapharm: STT-00291692
TimTec Make-on-Demand: ST50774268
PubChem: 43842177, 51477734
ref: mol2, SDF, SMILES, flexibase
3.01,0.14,-8.52,1,2,0, 231.32, 3

Similar to: 10493643,
10493643
 
#60

AKOS: AKOS002305733
Innovapharm: STT-00291692
TimTec Make-on-Demand: ST50774268
PubChem: 43842177, 51477733
ref: mol2, SDF, SMILES, flexibase
3.01,-0.13,-9.16,1,2,0, 231.32, 3

Similar to: 10493647,
115701
 
#61

eMolecules: 784190
Scientific Exchange (make on demand): Z-015450
AKOS: AKOS000630400
ChemBridge: 5217724
Enamine: Z56762870...38 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.07,-10.81,1,3,0, 206.27, 0
lo: mol2, SDF, SMILES, flexibase
1.63,3.54,-24.37,2,3,1, 207.278, 0

Similar to: 39317055, 39317056,
115706
 
#62

eMolecules: 784190
Scientific Exchange (make on demand): Z-015450
AKOS: AKOS000630400
ChemBridge: 5217724
Enamine: Z56762870...36 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.07,-10.8,1,3,0, 206.27, 0
lo: mol2, SDF, SMILES, flexibase
1.63,3.54,-24.34,2,3,1, 207.278, 0

Similar to: 39317055, 39317056,
9384671
 
#63

eMolecules: 11958175
Molport: MolPort-004-555-664
AKOS: AKOS001337780
Enamine: Z228590084
Innovapharm: STT-00291690...11 total

ref: mol2, SDF, SMILES, flexibase
-0.22,6.75,-23.06,0,7,0, 246.274, 1
1529518
 
#64

eMolecules: 515221
Molport: MolPort-001-768-138
Acros Organics: 12008
AKOS: AKOS001056505
Alfa-Aesar: A18822...74 total

ref: mol2, SDF, SMILES, flexibase
-0.61,-3.13,-9.61,2,4,0, 114.104, 0
388301
 
#65

eMolecules: 482095
Molport: MolPort-001-782-202
AK Scientific: 5737AB
AKOS: AKOS002305714
Alfa-Aesar: A18097...34 total

ref: mol2, SDF, SMILES, flexibase
-1.00,1.36,-15.29,0,4,0, 142.158, 0

Similar to: 34402639, 39120695, 39299497,
53859
 
#66

eMolecules: 927924
AK Scientific: 6824AA
AKOS: AKOS001076077
Anward: ANW-55686
Apexmol Building Blocks: AM20050810...55 total

ref: mol2, SDF, SMILES, flexibase
1.30,0.88,-10.26,2,3,0, 184.626, 1

Similar to: 162928, 34520728, 38251240, 44236532, ... 4 in total.
18088105
 
#67

ChemMol: 51501733
eMolecules: 2094456, 1217860
Molport: MolPort-001-931-859, MolPort-002-084-647
AKOS: AKOS005260031, AKOS000276329
Aldrich CPR: JRD0372|ALDRICH...61 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.36,-15.97,1,3,0, 196.209, 1

Similar to: 39340575, 39340576, 43395168, 43395172, ... 4 in total.
1037185
 
#68

eMolecules: 834079
Molport: MolPort-000-870-760
Scientific Exchange (make on demand): M-172456
AK Scientific: Z5523
AKOS: AKOS000270508...36 total

ref: mol2, SDF, SMILES, flexibase
3.74,1.51,-7.19,0,1,0, 202.278, 2

Similar to: 32250659, 32250663, 33945527, 34976762, 34976778, ... 9 in total.
1225177
 
#69

ChemMol: 83603525, 96700570
eMolecules: 525271
Molport: MolPort-000-869-421
Scientific Exchange (make on demand): POD_35/0349, POD_81/0517
AKOS: AKOS000266210...84 total

ref: mol2, SDF, SMILES, flexibase
0.79,0.71,-9.13,3,4,0, 144.565, 1
8793615
 
#70

eMolecules: 11958173
Molport: MolPort-004-555-663
AKOS: AKOS000276324
ChemBridge: 9195738
Innovapharm: STT-00291668...16 total

ref: mol2, SDF, SMILES, flexibase
2.07,-0.55,-7.06,1,4,0, 222.269, 3

Similar to: 31066517, 31066616, 31066656, 31066662, 31066754, ... 49 in total.
8844008
 
#71

eMolecules: 12050811
Molport: MolPort-007-981-868
AKOS: AKOS000276480
ChemBridge: 9195706
Innovapharm: STT-00291664...16 total

ref: mol2, SDF, SMILES, flexibase
2.60,-1.02,-14.78,1,5,0, 255.277, 2
10493633
 
#72

eMolecules: 27432762
Molport: MolPort-007-999-464
AKOS: AKOS002306560
Innovapharm: STT-00291663
Mcule: MCULE-9273619755...12 total

ref: mol2, SDF, SMILES, flexibase
5.88,1.98,-11.83,1,4,0, 416.834, 5
10493629
 
#73

eMolecules: 27432756
Molport: MolPort-007-999-463
AKOS: AKOS002306559
ChemBridge: 9337509
Enamine: Z439256618...13 total

ref: mol2, SDF, SMILES, flexibase
3.91,7.71,-9.03,3,5,0, 341.724, 3

Similar to: 34603453, 36631426, 6472003,
10343826
 
#74

eMolecules: 27432754
Molport: MolPort-007-999-462
AKOS: AKOS002306539
Innovapharm: STT-00291661
Mcule: MCULE-8122618299...12 total

ref: mol2, SDF, SMILES, flexibase
7.49,3.27,-8.45,1,4,0, 430.861, 4

Similar to: 10343823, 10343824,
10493625
 
#75

eMolecules: 27432752
Molport: MolPort-007-999-461
AKOS: AKOS002306538
Innovapharm: STT-00291660
Mcule: MCULE-9777397737...12 total

ref: mol2, SDF, SMILES, flexibase
7.72,2.79,-8.7,1,4,0, 451.279, 4

Similar to: 27585698,
10343825
 
#76

eMolecules: 27432750
Molport: MolPort-007-999-460
AKOS: AKOS002306516
Innovapharm: STT-00291659
Mcule: MCULE-6635939990...12 total

ref: mol2, SDF, SMILES, flexibase
7.10,2.61,-8.53,1,5,0, 446.86, 6
10493617
 
#77

eMolecules: 27432748
Molport: MolPort-007-999-459
AKOS: AKOS002306515
Innovapharm: STT-00291658
Mcule: MCULE-3838545891...12 total

ref: mol2, SDF, SMILES, flexibase
6.83,3.32,-8.15,1,4,0, 420.797, 4
10343824
 
#78

eMolecules: 27432746
Molport: MolPort-007-999-458
AKOS: AKOS002306495
Innovapharm: STT-00291657
Mcule: MCULE-3560090989...12 total

ref: mol2, SDF, SMILES, flexibase
7.49,3.28,-7.62,1,4,0, 430.861, 4

Similar to: 10343826, 10343823,
10493610
 
#79

eMolecules: 27432744
Molport: MolPort-007-999-457
AKOS: AKOS002306494
Innovapharm: STT-00291656
Mcule: MCULE-1577226776...12 total

ref: mol2, SDF, SMILES, flexibase
6.44,1.63,-7.98,1,4,0, 408.855, 4
8844007
 
#80

eMolecules: 12050809, 2242697
Molport: MolPort-005-288-016, MolPort-002-094-038
AKOS: AKOS000276479
Innovapharm: STT-00291655
Innovapharm Building Blocks: BBS-00012944...22 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.93,-16.75,1,4,0, 327.693, 2
ref: mol2, SDF, SMILES, flexibase
4.45,6.56,-39.95,0,4,-1, 326.685, 2

Similar to: 6308746,
10493607
 
#81

eMolecules: 27432742
Molport: MolPort-007-999-456
AKOS: AKOS002306466
Enamine: Z439256484
Innovapharm: STT-00291654...13 total

ref: mol2, SDF, SMILES, flexibase
7.32,2.59,-8.45,1,4,0, 437.252, 4

Similar to: 21150368, 27585668,
10343823
 
#82

eMolecules: 27432736
Molport: MolPort-007-999-455
AKOS: AKOS002306441
Innovapharm: STT-00291653
Mcule: MCULE-3805306182...12 total

ref: mol2, SDF, SMILES, flexibase
7.09,3.06,-7.75,1,4,0, 416.834, 4

Similar to: 10343824, 10343826,
10493594
 
#83

eMolecules: 27432734
Molport: MolPort-007-999-454
AKOS: AKOS002306440
Enamine: Z439256408
Innovapharm: STT-00291652...12 total

ref: mol2, SDF, SMILES, flexibase
6.33,2.1,-9.34,1,4,0, 430.861, 6
10343822
 
#84

eMolecules: 27432732
Molport: MolPort-007-999-453
AKOS: AKOS002306416
Innovapharm: STT-00291651
Mcule: MCULE-9373310633...12 total

ref: mol2, SDF, SMILES, flexibase
7.11,2.91,-7.58,1,4,0, 416.834, 4

Similar to: 21150368,
10493584
 
#85

eMolecules: 27432730
Molport: MolPort-007-999-452
AKOS: AKOS002306415
Innovapharm: STT-00291650
Mcule: MCULE-4125689991...12 total

ref: mol2, SDF, SMILES, flexibase
7.34,2.44,-7.68,1,4,0, 437.252, 4

Similar to: 21150368, 27585638,
10493579
 
#86

eMolecules: 27432728
Molport: MolPort-007-999-451
AKOS: AKOS002306391
Enamine: Z431951600
Innovapharm: STT-00291649...12 total

ref: mol2, SDF, SMILES, flexibase
5.93,1.96,-9.81,1,4,0, 416.834, 5

Similar to: 21799104,
10493571
 
#87

eMolecules: 27432726
Molport: MolPort-007-999-450
AKOS: AKOS002306390
Innovapharm: STT-00291648
Mcule: MCULE-6306218181...11 total

ref: mol2, SDF, SMILES, flexibase
5.96,-1.16,-14.04,0,7,0, 501.944, 4
10493563
 
#88

AKOS: AKOS002306741
Innovapharm: STT-00291646
TimTec Make-on-Demand: ST50774240
PubChem: 43842175
Ambinter: Amb2774886...5 total

ref: mol2, SDF, SMILES, flexibase
5.35,9.51,-8.68,0,3,0, 346.139, 2
10493561
 
#89

eMolecules: 27432716
Molport: MolPort-007-999-447
AKOS: AKOS002306722
ChemBridge: 9290550
Enamine: Z431951560...15 total

ref: mol2, SDF, SMILES, flexibase
2.93,1.89,-14.08,0,5,0, 297.358, 3
8844006
 
#90

eMolecules: 12050805
Molport: MolPort-007-999-446
AKOS: AKOS002306721
ChemBridge: 9329393
Innovapharm: STT-00291644...14 total

ref: mol2, SDF, SMILES, flexibase
2.61,-0.72,-14.82,1,6,0, 299.33, 3
1378584
 
#91

eMolecules: 12050803
Molport: MolPort-004-748-966
AKOS: AKOS002306698
Chembo Pharma: KB-279908
ChemBridge: 9327558...18 total

ref: mol2, SDF, SMILES, flexibase
2.55,1.7,-14.09,0,5,0, 283.331, 3
10493551
 
#92

eMolecules: 12050799
Molport: MolPort-007-999-445
AKOS: AKOS002306696
Innovapharm: STT-00291641
Life Chemicals: F3305-0563...14 total

ref: mol2, SDF, SMILES, flexibase
3.28,1.54,-11.85,0,3,0, 237.306, 1
10493544
 
#93

eMolecules: 30285454
Molport: MolPort-007-999-444
AKOS: AKOS002306677
ChemBridge: 9305645
Innovapharm: STT-00291639...11 total

ref: mol2, SDF, SMILES, flexibase
4.11,0.79,-15,0,4,0, 274.755, 2
8843993
 
#94

eMolecules: 4715201
Molport: MolPort-002-656-234
AKOS: AKOS002306676
ChemBridge: 9301562
IBScreen: STOCK5S-90823...17 total

ref: mol2, SDF, SMILES, flexibase
4.98,-0.3,-10.5,0,5,0, 350.466, 3

Similar to: 5206052, 2235533,
10493538
 
#95

eMolecules: 24900573
Molport: MolPort-007-999-443
AKOS: AKOS002306651
ChemBridge: 9287015
Innovapharm: STT-00291637...14 total

ref: mol2, SDF, SMILES, flexibase
5.49,9.96,-8.43,0,4,0, 329.831, 3

Similar to: 3963168,
9216152
 
#96

eMolecules: 4710270
Molport: MolPort-002-654-401
AKOS: AKOS002306650
IBScreen: STOCK5S-84708
Innovapharm: STT-00291636...14 total

ref: mol2, SDF, SMILES, flexibase
5.38,10.49,-11.27,0,5,0, 384.911, 3
8557110
 
#97

eMolecules: 4712829
Molport: MolPort-000-856-521
AKOS: AKOS002306628
ChemBridge: 9312756
Enamine: Z432420464...17 total

ref: mol2, SDF, SMILES, flexibase
5.16,-0.8,-10.81,0,5,0, 370.884, 3

Similar to: 8557116, 8557121, 33584942,
8843992
 
#98

eMolecules: 12050797
Molport: MolPort-005-288-003
AKOS: AKOS002306627
Enamine: Z431530234
Innovapharm: STT-00291634...13 total

ref: mol2, SDF, SMILES, flexibase
3.85,1.86,-11,1,4,0, 306.291, 3

Similar to: 21799403, 6472003,
8843991
 
#99

eMolecules: 12050795
Molport: MolPort-005-288-002
AKOS: AKOS002306605
ChemBridge: 9290283
Enamine: Z431948986...16 total

ref: mol2, SDF, SMILES, flexibase
4.10,1.88,-11.71,0,4,0, 320.318, 3

Similar to: 21799399,
8843990
 
#100

eMolecules: 27432710
Molport: MolPort-005-288-001
AKOS: AKOS002306604
ChemBridge: 9294265
Innovapharm: STT-00291632...14 total

ref: mol2, SDF, SMILES, flexibase
4.39,0.35,-12.22,1,4,0, 314.392, 3

Similar to: 34639924,

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 = 387 ) limit 0,100

Smiles were