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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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8783205
 
#1

AKOS: AKOS003683078
Mcule: MCULE-7555093298
TimTec Natural Derivatives: ST070344
Collaborative Drug Discovery: 44971
PubChem: 20416505...7 total

ref: mol2, SDF, SMILES, flexibase
2.15,1.07,-21.85,3,10,0, 407.338, 3

Similar to: 8783204,
8783204
 
#2

AKOS: AKOS003683078
Mcule: MCULE-7555093298
TimTec Natural Derivatives: ST070344
Collaborative Drug Discovery: 44971
PubChem: 40823224...7 total

ref: mol2, SDF, SMILES, flexibase
2.15,1.07,-21.48,3,10,0, 407.338, 3

Similar to: 8783205,
2121625
 
#3

eMolecules: 3850802
Molport: MolPort-002-515-839
Scientific Exchange (make on demand): F-108362
IBScreen NP: STOCK1N-31882
Mcule: MCULE-1626821776...13 total

ref: mol2, SDF, SMILES, flexibase
1.11,-0.84,-35.22,3,7,0, 382.416, 5

Similar to: 4012429, 4012430, 4012431, 4012432, ... 4 in total.
2121626
 
#4

eMolecules: 3850802
Molport: MolPort-002-515-839
Scientific Exchange (make on demand): F-108362
IBScreen NP: STOCK1N-31882
Mcule: MCULE-1626821776...13 total

ref: mol2, SDF, SMILES, flexibase
1.11,-0.89,-44.25,3,7,0, 382.416, 5

Similar to: 4012429, 4012430, 4012431, 4012432, ... 4 in total.
4557741
 
#5

eMolecules: 1405436, 35779304, 26252978
Molport: MolPort-001-985-511, MolPort-002-550-654, MolPort-000-835-834
AKOS: AKOS000300196
Asinex: BAS02876046
Asinex Building Blocks: BAS02876046...38 total

ref: mol2, SDF, SMILES, flexibase
1.50,4.74,-42.13,2,2,1, 168.26, 0

Similar to: 4557745, 32135143, 32135144, 32135145, 32135146, ... 24 in total.
404256
 
#6

Amidohydrolase AH-EFI: 2?-deoxyguanosine
ChemMol: 30103238
eMolecules: 713372
Molport: MolPort-003-866-543, MolPort-002-509-837
Acros Organics: 22673...201 total

ref: mol2, SDF, SMILES, flexibase
-2.06,-2.94,-20.71,5,9,0, 267.245, 2

Similar to: 3983944, 5368460, 5368462, 5368463, 5368464, ... 13 in total.
4294771
 
#7

eMolecules: 883986
Molport: MolPort-001-888-168
Alfa-Aesar: A10530
Amadis Chemical: A845463
Asinex Building Blocks: BAS05307735...57 total

ref: mol2, SDF, SMILES, flexibase
-1.37,-2.98,-86.25,3,7,0, 272.282, 4

Similar to: 34040335, 34040336, 34040337, 34040338, 34349856, ... 41 in total.
4294770
 
#8

eMolecules: 883986
Molport: MolPort-001-888-168
Alfa-Aesar: A10530
Amadis Chemical: A845463
Asinex Building Blocks: BAS05307735...58 total

ref: mol2, SDF, SMILES, flexibase
-1.37,-3.53,-93.28,3,7,0, 272.282, 4

Similar to: 4294771, 34040335, 34040336, 34040337, 34040338, ... 41 in total.
4294769
 
#9

eMolecules: 883986
Molport: MolPort-001-888-168
Alfa-Aesar: A10530
Amadis Chemical: A845463
Asinex Building Blocks: BAS05307735...59 total

ref: mol2, SDF, SMILES, flexibase
-1.37,3.31,-86.17,3,7,0, 272.282, 4
hi: mol2, SDF, SMILES, flexibase
-1.37,2.94,-59.74,2,7,-1, 271.274, 4

Similar to: 4294770, 4294771, 34040335, 34040336, 34040337, ... 41 in total.
3861379
 
#10

ChemMol: 30116873
eMolecules: 883986
Molport: MolPort-001-888-168, MolPort-001-794-514
Acros Organics: 18441
AK Scientific: Q448...121 total

ref: mol2, SDF, SMILES, flexibase
-1.37,3.4,-82.91,3,7,0, 272.282, 4
hi: mol2, SDF, SMILES, flexibase
-1.37,3.07,-61.25,2,7,-1, 271.274, 4

Similar to: 4294769, 4294770, 4294771, 5187721, 5187725, ... 45 in total.
3875857
 
#11

eMolecules: 476189, 6154232
Molport: MolPort-003-005-620, MolPort-002-941-680, MolPort-002-136-077
Acros Organics: 40048
AK Scientific: L935
AKOS: AKOS001483181...86 total

ref: mol2, SDF, SMILES, flexibase
0.05,0.37,-47.52,2,7,-1, 319.27, 1

Similar to: 4268064, 31308504, 39369368,
19228338
 
#12

eMolecules: 1163007
Molport: MolPort-001-024-460
Scientific Exchange (make on demand): Z-092115
AKOS: AKOS000486575
Alinda: IBS-L0060164...24 total

ref: mol2, SDF, SMILES, flexibase
4.75,11.85,-40.48,2,3,1, 368.504, 5
hi: mol2, SDF, SMILES, flexibase
4.75,9.74,-5.93,1,3,0, 367.496, 5
3830408
 
#13

eMolecules: 2751116, 1290499
Molport: MolPort-001-950-811, MolPort-001-902-953, MolPort-001-505-782
Scientific Exchange: K-010883
Scientific Exchange (make on demand): K-010882
AKOS: AKOS001482982...80 total

ref: mol2, SDF, SMILES, flexibase
-1.55,4.71,-81.29,1,12,-1, 453.511, 7

Similar to: 31771498, 31771499, 31771500, 31771501, ... 4 in total.
3830407
 
#14

eMolecules: 2751116, 1290499
Molport: MolPort-001-902-953, MolPort-001-505-782, MolPort-001-950-811
Scientific Exchange: K-010883
Scientific Exchange (make on demand): K-010882
AKOS: AKOS000715076...75 total

ref: mol2, SDF, SMILES, flexibase
-1.55,4.45,-84.51,1,12,-1, 453.511, 7

Similar to: 31771498, 31771499, 31771500, 31771501, ... 4 in total.
3830406
 
#15

eMolecules: 2751116, 1290499
Molport: MolPort-001-902-953, MolPort-001-505-782, MolPort-001-950-811
Scientific Exchange: K-010883
Scientific Exchange (make on demand): K-010882
AKOS: AKOS001482982...91 total

ref: mol2, SDF, SMILES, flexibase
-1.55,4.46,-80.44,1,12,-1, 453.511, 7

Similar to: 31771498, 31771499, 31771500, 31771501, ... 4 in total.
3830405
 
#16

ChemMol: 30105055, 30102816
eMolecules: 489450, 2751116, 1290499
Molport: MolPort-001-505-782, MolPort-001-950-811, MolPort-002-510-626, MolPort-001-902-953
Scientific Exchange: K-010883
Scientific Exchange (make on demand): K-010882...204 total

ref: mol2, SDF, SMILES, flexibase
-1.55,4.69,-76.75,1,12,-1, 453.511, 7

Similar to: 31771498, 31771499, 31771500, 31771501, ... 4 in total.
4517167
 
#17

eMolecules: 2777351, 8254788
Molport: MolPort-002-823-663, MolPort-001-525-280
Scientific Exchange (make on demand): Q-024555
AKOS: AKOS001678631, AKOS000489851
Aronis: m09898...43 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-2.09,-72.25,3,12,-1, 454.466, 8

Similar to: 5223872, 5223879, 31334574, 31334579, 31334583, ... 54 in total.
5223879
 
#18

ChemMol: 44002876, 30102818
eMolecules: 2777351, 8254788
Molport: MolPort-002-823-663, MolPort-001-525-280
Scientific Exchange (make on demand): Q-024555
AKOS: AKOS000489851...43 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-2.7,-68.35,3,12,-1, 454.466, 8

Similar to: 34353549, 34353551, 34353553, 34353554, 34353557, ... 56 in total.
5223872
 
#19

eMolecules: 43017416, 2777351, 8254788, 206968684
Molport: MolPort-001-525-280, MolPort-002-513-351, MolPort-002-823-663, MolPort-023-302-974
Scientific Exchange (make on demand): Q-024555
AKOS: AKOS000489851, AKOS001678631
American Custom Chemicals Corp.: CCH0009280...66 total

ref: mol2, SDF, SMILES, flexibase
-0.87,5.87,-69.39,3,12,-1, 454.466, 8

Similar to: 31334574, 31334579, 31334583, 31334587, 34353549, ... 53 in total.
4468780
 
#20

ChemMol: 44003255, 30103457
eMolecules: 8254788, 206968684, 2777351, 43017416
Molport: MolPort-005-934-578, MolPort-003-928-040, MolPort-001-525-280, MolPort-023-302-974, MolPort-002-823-663, MolPort-002-513-351
Scientific Exchange (make on demand): Q-024555
Acros Organics: 45495...151 total

ref: mol2, SDF, SMILES, flexibase
-0.87,6.09,-70.18,3,12,-1, 454.466, 8

Similar to: 4517167, 5223872, 5223879, 31334574, 31334579, ... 59 in total.
2121627
 
#21

eMolecules: 3850802
Molport: MolPort-002-515-839
Scientific Exchange (make on demand): F-108362
IBScreen NP: STOCK1N-31882
Mcule: MCULE-1626821776...13 total

ref: mol2, SDF, SMILES, flexibase
1.11,-1.33,-36.84,3,7,0, 382.416, 5

Similar to: 4012429, 4012430, 4012431, 4012432, ... 4 in total.
2121628
 
#22

eMolecules: 3850802
Molport: MolPort-002-515-839
Scientific Exchange (make on demand): F-108362
IBScreen NP: STOCK1N-31882
Mcule: MCULE-1626821776...13 total

ref: mol2, SDF, SMILES, flexibase
1.11,-0.65,-35.29,3,7,0, 382.416, 5

Similar to: 4012429, 4012430, 4012431, 4012432, ... 4 in total.
7518893
 
#23

Scientific Exchange (make on demand): F-102041
TimTec Natural Derivatives: ST070282
Collaborative Drug Discovery: 44965
PubChem: 8616095
ref: mol2, SDF, SMILES, flexibase
2.80,-1.6,-72.31,4,6,0, 324.336, 6
12376548
 
#24

Scientific Exchange (make on demand): F-108359
Mcule: MCULE-2668814249
TimTec Natural Derivatives: ST070277
Collaborative Drug Discovery: 44963
PubChem: 17118333...7 total

ref: mol2, SDF, SMILES, flexibase
1.38,-1.51,-61.32,2,6,-1, 385.827, 8
12376547
 
#25

Scientific Exchange (make on demand): F-108359
Mcule: MCULE-2668814249
TimTec Natural Derivatives: ST070277
Collaborative Drug Discovery: 44963
PubChem: 17118333...7 total

ref: mol2, SDF, SMILES, flexibase
1.38,-1.24,-55.71,2,6,-1, 385.827, 8
12376805
 
#26

Scientific Exchange (make on demand): F-108360
Mcule: MCULE-1461867171
TimTec Natural Derivatives: ST070275
Collaborative Drug Discovery: 44962
PubChem: 17118334...7 total

ref: mol2, SDF, SMILES, flexibase
3.89,0.78,-38.95,2,3,1, 279.363, 5
6554682
 
#27

eMolecules: 7682163
Molport: MolPort-004-956-321
AKOS: AKOS003388775
Alinda: IVK/0055718
Mcule: MCULE-7266016855...13 total

ref: mol2, SDF, SMILES, flexibase
3.91,-1.27,-34.69,3,6,1, 413.538, 7

Similar to: 17724658, 17724660, 17724662,
6554659
 
#28

eMolecules: 7682163
Molport: MolPort-004-956-321
AKOS: AKOS003388775
Alinda: IVK/0055718
Mcule: MCULE-7266016855...13 total

ref: mol2, SDF, SMILES, flexibase
3.91,-1.16,-31.81,3,6,1, 413.538, 7

Similar to: 6554682, 17724658, 17724660, 17724662, ... 7 in total.
4061999
 
#29

eMolecules: 26415553, 7682163
Molport: MolPort-002-520-371, MolPort-004-956-321
AKOS: AKOS003388775
Alinda: IVK/0055718
IBScreen NP: STOCK1N-43064...18 total

ref: mol2, SDF, SMILES, flexibase
3.91,-1.38,-31.57,3,6,1, 413.538, 7

Similar to: 6554649, 6554659, 6554682, 17724658, 17724660, ... 7 in total.
6554649
 
#30

eMolecules: 7682163
Molport: MolPort-004-956-321
AKOS: AKOS003388775
Alinda: IVK/0055718
Mcule: MCULE-7266016855...13 total

ref: mol2, SDF, SMILES, flexibase
3.91,-1.71,-41.54,3,6,1, 413.538, 7

Similar to: 6554659, 6554682, 17724658, 17724660, 17724662, ... 7 in total.
20353433
 
#31

Scientific Exchange (make on demand): F-108324
Chembo Pharma: KB-268539
TimTec Natural Derivatives: ST070265
Sphinx Make-on-demand: IMY-6-0006
Collaborative Drug Discovery: 44956...5 total

ref: mol2, SDF, SMILES, flexibase
-1.94,2.04,-48.82,2,5,0, 165.152, 1

Similar to: 8783459, 8783460,
20353435
 
#32

Scientific Exchange (make on demand): F-108324
Chembo Pharma: KB-268539
TimTec Natural Derivatives: ST070265
Sphinx Make-on-demand: IMY-6-0006
Collaborative Drug Discovery: 44956...5 total

ref: mol2, SDF, SMILES, flexibase
-1.94,2.04,-48.86,2,5,0, 165.152, 1

Similar to: 8783459, 8783460,
12445977
 
#33

eMolecules: 26811168
Molport: MolPort-004-956-305
AKOS: AKOS001690273
ChemDiv: 5701-0672
Mcule: MCULE-7991011272...11 total

ref: mol2, SDF, SMILES, flexibase
6.23,2.97,-13.67,0,6,0, 429.472, 6

Similar to: 33248982, 33740999,
186639
 
#34

eMolecules: 1065806, 26675929
Molport: MolPort-001-818-218
AKOS: AKOS002980817
ChemBridge: 5131289
IBScreen NP: STOCK1N-02537...21 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.62,-37.14,3,4,0, 326.783, 2

Similar to: 186641, 186642, 186648,
186642
 
#35

eMolecules: 1065806, 26675929
Molport: MolPort-001-818-218
AKOS: AKOS002980817
ChemBridge: 5131289
IBScreen NP: STOCK1N-02537...21 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.51,-38.99,3,4,0, 326.783, 2

Similar to: 186648, 186639, 186641,
186641
 
#36

eMolecules: 1065806, 26675929
Molport: MolPort-001-818-218, MolPort-019-831-450
AKOS: AKOS002980817
ChemBridge: 5131289
IBScreen NP: STOCK1N-02537...24 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.87,-40.07,3,4,0, 326.783, 2

Similar to: 186642, 186648, 186639,
186648
 
#37

eMolecules: 1065806, 26675929
Molport: MolPort-001-818-218, MolPort-019-831-450
AKOS: AKOS002980817
ChemBridge: 5131289
IBScreen NP: STOCK1N-02537...24 total

ref: mol2, SDF, SMILES, flexibase
2.16,-1.61,-37.12,3,4,0, 326.783, 2

Similar to: 186639, 186641, 186642,
5025027
 
#38

eMolecules: 25902907
Scientific Exchange (make on demand): C-023534
AKOS: AKOS003658109
ChemBridge: 6149146
IBScreen: STOCK3S-62979...15 total

ref: mol2, SDF, SMILES, flexibase
5.41,3.15,-14.02,0,6,0, 389.407, 8

Similar to: 6406429, 34848235,
2110482
 
#39

eMolecules: 35779832
Scientific Exchange (make on demand): E-018358, C-024462
IBScreen NP: STOCK1N-21800
Mcule: MCULE-8107939865
Pharmeks: PHAR029238...16 total

ref: mol2, SDF, SMILES, flexibase
5.71,-0.21,-55.91,3,8,1, 474.537, 7

Similar to: 8964474, 8964475,
2110483
 
#40

eMolecules: 35779832
Scientific Exchange (make on demand): E-018358, C-024462
IBScreen NP: STOCK1N-21800
Mcule: MCULE-8107939865
Pharmeks: PHAR029238...16 total

ref: mol2, SDF, SMILES, flexibase
5.71,-0.21,-55.93,3,8,1, 474.537, 7

Similar to: 8964474, 8964475,
3882108
 
#41

eMolecules: 1469412
Molport: MolPort-002-507-505, MolPort-002-001-474
AKOS: AKOS000626756
Asinex: BAS05494637
ChemBridge: 5115729...30 total

ref: mol2, SDF, SMILES, flexibase
1.11,8.2,-36.4,3,7,0, 382.416, 5
hi: mol2, SDF, SMILES, flexibase
1.11,7.03,-50.55,2,7,-1, 381.408, 5

Similar to: 4012200, 4012201, 3882107, 754304, 754305, ... 7 in total.
3882107
 
#42

eMolecules: 1469412
Molport: MolPort-002-001-474, MolPort-002-507-505
AKOS: AKOS000626756
Asinex: BAS05494637
ChemBridge: 5115729...29 total

ref: mol2, SDF, SMILES, flexibase
1.11,7.83,-38.27,3,7,0, 382.416, 5
hi: mol2, SDF, SMILES, flexibase
1.11,6.83,-49.04,2,7,-1, 381.408, 5

Similar to: 3882108, 4012200, 4012201,
4012201
 
#43

eMolecules: 1469412
Molport: MolPort-002-001-474
AKOS: AKOS000626756
Asinex: BAS05494637
ChemBridge: 5115729...26 total

ref: mol2, SDF, SMILES, flexibase
1.11,8.1,-38.19,3,7,0, 382.416, 5
hi: mol2, SDF, SMILES, flexibase
1.11,6.9,-52.53,2,7,-1, 381.408, 5

Similar to: 3882107, 3882108, 4012200, 754304, 754305, ... 7 in total.
4012200
 
#44

eMolecules: 1469412
Molport: MolPort-002-001-474
AKOS: AKOS000626756
Asinex: BAS05494637
ChemBridge: 5115729...26 total

ref: mol2, SDF, SMILES, flexibase
1.11,8.24,-36.2,3,7,0, 382.416, 5
hi: mol2, SDF, SMILES, flexibase
1.11,7.18,-50.89,2,7,-1, 381.408, 5

Similar to: 4012201, 3882107, 3882108, 754304, 754305, ... 7 in total.
59677272
 
#45

eMolecules: 4800769
IBScreen NP: STOCK1N-34530
TimTec Natural Derivatives: ST070116
ChemDB: 4566625
Collaborative Drug Discovery: 44922...6 total

ref: mol2, SDF, SMILES, flexibase
5.32,13.99,-42.44,3,8,1, 555.699, 9
mid: mol2, SDF, SMILES, flexibase
5.32,11.64,-9.91,2,8,0, 554.691, 9
59677271
 
#46

eMolecules: 4800769
IBScreen NP: STOCK1N-34530
TimTec Natural Derivatives: ST070116
ChemDB: 4566625
Collaborative Drug Discovery: 44922...6 total

ref: mol2, SDF, SMILES, flexibase
5.32,13.73,-42.98,3,8,1, 555.699, 9
mid: mol2, SDF, SMILES, flexibase
5.32,11.38,-11.66,2,8,0, 554.691, 9
59677268
 
#47

eMolecules: 4800769
IBScreen NP: STOCK1N-34530
TimTec Natural Derivatives: ST070116
ChemDB: 4566625
Collaborative Drug Discovery: 44922...6 total

ref: mol2, SDF, SMILES, flexibase
5.32,14.16,-38.09,3,8,1, 555.699, 9
mid: mol2, SDF, SMILES, flexibase
5.32,11.81,-9.56,2,8,0, 554.691, 9
59677265
 
#48

eMolecules: 4800769
IBScreen NP: STOCK1N-34530
TimTec Natural Derivatives: ST070116
ChemDB: 4566625
Collaborative Drug Discovery: 44922...6 total

ref: mol2, SDF, SMILES, flexibase
5.32,14.19,-42.02,3,8,1, 555.699, 9
mid: mol2, SDF, SMILES, flexibase
5.32,11.84,-10.42,2,8,0, 554.691, 9
8783043
 
#49

eMolecules: 8316654
Molport: MolPort-004-956-173
Scientific Exchange (make on demand): F-183679
AKOS: AKOS003392864
Alinda: IBS-L0133044...13 total

ref: mol2, SDF, SMILES, flexibase
-0.26,-6.62,-51.19,2,9,-1, 391.381, 6
hi: mol2, SDF, SMILES, flexibase
-0.26,-6.05,-91.53,1,9,-2, 390.373, 6

Similar to: 23385652, 25267090, 26532153, 30882119, 30925358, ... 7 in total.
2070822
 
#50

Scientific Exchange (make on demand): K-019428
AKOS: AKOS000671277
Aldrich CPR: R575755|ALDRICH
Alinda: IBS-L0137129
Asinex: BAS00623632...21 total

ref: mol2, SDF, SMILES, flexibase
2.14,1.62,-8.99,0,8,0, 327.296, 3

Similar to: 26097852, 26098457, 34972567,
8782792
 
#51

eMolecules: 6788612
Molport: MolPort-002-717-831
AKOS: AKOS001739580
BioBlocks: A2936/0123579
Chemical Block: A2936/0123579...15 total

ref: mol2, SDF, SMILES, flexibase
5.76,2.65,-38.2,1,6,1, 499.966, 6

Similar to: 15276463, 8782791, 1072951,
38797
 
#52

eMolecules: 440269
Molport: MolPort-001-016-037
Scientific Exchange (make on demand): T-030065, POD_74/0299
AK Scientific: Z4087
AKOS: AKOS000116620...62 total

ref: mol2, SDF, SMILES, flexibase
-0.48,2.94,-43.11,1,5,-1, 208.193, 4

Similar to: 33790330, 37993273,
38796
 
#53

eMolecules: 440253
Scientific Exchange (make on demand): Z-021381
AK Scientific: 6209AA
AKOS: AKOS000114598
Aldrich CPR: S658049|ALDRICH...67 total

ref: mol2, SDF, SMILES, flexibase
0.14,3.24,-41.87,1,4,-1, 212.612, 3
4133036
 
#54

eMolecules: 2755782
Molport: MolPort-001-030-107
Scientific Exchange (make on demand): X-060917
AKOS: AKOS000487766
Alinda: IBS-L0061813...26 total

ref: mol2, SDF, SMILES, flexibase
1.53,7.54,-51.53,1,4,-1, 268.72, 6

Similar to: 33826064, 33826066, 33826070, 33826072, 33826074, ... 9 in total.
4133034
 
#55

eMolecules: 2755782
Molport: MolPort-001-030-107
Scientific Exchange (make on demand): X-060917
AKOS: AKOS000487766
Alinda: IBS-L0061813...26 total

ref: mol2, SDF, SMILES, flexibase
1.53,7.6,-51.26,1,4,-1, 268.72, 6

Similar to: 4133036, 33826064, 33826066, 33826070, 33826072, ... 8 in total.
866231
 
#56

eMolecules: 1248010
Molport: MolPort-001-023-580
Scientific Exchange (make on demand): Z-076772
AKOS: AKOS000486579
Alinda: IBS-L0060257...23 total

ref: mol2, SDF, SMILES, flexibase
3.05,5.99,-114.56,2,6,-2, 398.455, 3
mid: mol2, SDF, SMILES, flexibase
2.47,5.64,-52.01,2,6,-1, 399.463, 3
mid: mol2, SDF, SMILES, flexibase
2.47,6.18,-39.03,2,6,-1, 399.463, 3
lo: mol2, SDF, SMILES, flexibase
2.47,3.12,-49,3,6,0, 400.471, 3

Similar to: 8427611,
38389
 
#57

ChemMol: 44012030, 2200337, 80100349
eMolecules: 440187
Scientific Exchange (make on demand): Z-022834
AK Scientific: Z2331
AKOS: AKOS000101578...89 total

ref: mol2, SDF, SMILES, flexibase
2.40,7.64,-49.59,0,3,-1, 201.201, 3

Similar to: 6092579, 34463144,
38221
 
#58

eMolecules: 1656004
Molport: MolPort-000-876-626
Scientific Exchange (make on demand): H-089056
AKOS: AKOS000109229
ChemDiv: 4718-0343...33 total

ref: mol2, SDF, SMILES, flexibase
3.65,2.39,-58.54,0,4,-1, 265.244, 2
19789561
 
#59

eMolecules: 5639132
AKOS: AKOS002345980
ChemBridge: 9227896
Mcule: MCULE-5557509967
Otava: 0107740021...12 total

ref: mol2, SDF, SMILES, flexibase
2.88,8.23,-55.85,2,5,1, 343.447, 2
mid: mol2, SDF, SMILES, flexibase
2.88,8.11,-64.32,2,5,1, 343.447, 2
mid: mol2, SDF, SMILES, flexibase
2.88,5.76,-14.31,1,5,0, 342.439, 2

Similar to: 4540374,
38086
 
#60

eMolecules: 24312383, 5667018
Molport: MolPort-007-565-324
ChemDiv: 4491-0665
IBScreen NP: STOCK1N-27015
Mcule: MCULE-7508065774...23 total

ref: mol2, SDF, SMILES, flexibase
4.50,1.86,-35.36,2,4,1, 330.448, 4

Similar to: 38088, 3402288, 7142440,
38088
 
#61

eMolecules: 24312383, 5667018
Molport: MolPort-007-565-324
ChemDiv: 4491-0665
IBScreen NP: STOCK1N-27015
Mcule: MCULE-7508065774...23 total

ref: mol2, SDF, SMILES, flexibase
4.50,1.89,-35.62,2,4,1, 330.448, 4

Similar to: 3402288, 6996950, 7142440,
8989743
 
#62

TimTec Natural Derivatives: ST053765
ChemDB: 4091162
Collaborative Drug Discovery: 44278
PubChem: 40899164, 3690829
ref: mol2, SDF, SMILES, flexibase
5.60,2.68,-21.48,0,6,0, 428.469, 3

Similar to: 12360299, 12360323, 12360324,
12360299
 
#63

TimTec Natural Derivatives: ST053765
ChemDB: 4091162
Collaborative Drug Discovery: 44278
PubChem: 42553611, 3690829
ref: mol2, SDF, SMILES, flexibase
5.60,2.68,-21.55,0,6,0, 428.469, 3

Similar to: 8989743,
19597086
 
#64

eMolecules: 1408120
AKOS: AKOS001648014
Innovapharm: STT-00218073
Labotest: LT01274226
Mcule: MCULE-5900762747...17 total

ref: mol2, SDF, SMILES, flexibase
1.63,7.68,-46.94,2,3,1, 257.357, 2
8815564
 
#65

eMolecules: 664271, 9818952
Scientific Exchange (make on demand): H-066638, T-011445, R-083480
AKOS: AKOS002222251, AKOS000624035
Aldrich CPR: R683574|ALDRICH
Asinex: BAS01849610...36 total

ref: mol2, SDF, SMILES, flexibase
2.63,5.15,-14.2,2,5,0, 289.36, 4

Similar to: 19846463, 19927018, 6295186,
8782791
 
#66

eMolecules: 6788612
Molport: MolPort-002-717-831
AKOS: AKOS001739580
BioBlocks: A2936/0123579
Chemical Block: A2936/0123579...15 total

ref: mol2, SDF, SMILES, flexibase
5.76,2.79,-36.87,1,6,1, 499.966, 6

Similar to: 8782792, 15276463, 1072951,
19735741
 
#67

eMolecules: 1971735
Molport: MolPort-000-876-354
AKOS: AKOS000269374
Chembo Pharma: KB-45757
EDASA Scientific: BB0219102...38 total

ref: mol2, SDF, SMILES, flexibase
-0.06,2.61,-71.75,1,4,-1, 152.129, 1

Similar to: 34225584, 39342086,
4262164
 
#68

Acorn PharmaTech: ACN-S002396
Acros Organics: 27783
AK Scientific: 6333AB
Anward: ANW-58159
Ark Pharm Building Blocks: AK-87202...26 total

ref: mol2, SDF, SMILES, flexibase
0.77,-0.14,-38.17,3,3,1, 164.184, 0
mid: mol2, SDF, SMILES, flexibase
0.77,-1.15,-6.28,2,3,0, 163.176, 0
hi: mol2, SDF, SMILES, flexibase
0.03,2.81,-85.21,1,3,-1, 162.168, 0
1532132
 
#69

ChemMol: 44002431, 30102078
eMolecules: 478847, 722407
Enolase via KEGG (EFI): C11045_4
Molport: MolPort-001-792-024
Acros Organics: 22865...246 total

ref: mol2, SDF, SMILES, flexibase
-0.55,4.37,-37.85,4,7,0, 294.307, 8
hi: mol2, SDF, SMILES, flexibase
-0.55,4.05,-50.28,3,7,-1, 293.299, 8

Similar to: 39640642, 39640644, 39640646,
1532131
 
#70

eMolecules: 722407
Enolase via KEGG (EFI): C11045_2
Acros Organics: SB00761
AKOS: AKOS005613003
Apexmol Building Blocks: AM20060824...128 total

ref: mol2, SDF, SMILES, flexibase
-0.55,4.38,-35.95,4,7,0, 294.307, 8
hi: mol2, SDF, SMILES, flexibase
-0.55,4.06,-49.49,3,7,-1, 293.299, 8

Similar to: 1532132, 39640642, 39640644, 39640646, ... 6 in total.
1532130
 
#71

eMolecules: 722407
Enolase via KEGG (EFI): C11045_3
Acros Organics: SB00761
AKOS: AKOS005613003
Apexmol Building Blocks: AM20060824...128 total

ref: mol2, SDF, SMILES, flexibase
-0.55,4.37,-35.95,4,7,0, 294.307, 8
hi: mol2, SDF, SMILES, flexibase
-0.55,4.04,-46.67,3,7,-1, 293.299, 8

Similar to: 1532131, 1532132, 39640642, 39640644, 39640646, ... 6 in total.
37947
 
#72

eMolecules: 1084453
AKOS: AKOS000272740
ChemDiv: 1683-6978
IBScreen NP: STOCK1N-27112
Innovapharm: STT-00207465...31 total

ref: mol2, SDF, SMILES, flexibase
0.92,7.81,-62.37,2,6,-1, 337.355, 6

Similar to: 25046681, 34875997, 34875999, 34876000, 34876002, ... 20 in total.
37946
 
#73

eMolecules: 1084453
AKOS: AKOS000272740
ChemDiv: 1683-6978
IBScreen NP: STOCK1N-27112
Innovapharm: STT-00207465...35 total

ref: mol2, SDF, SMILES, flexibase
0.92,7.79,-58.65,2,6,-1, 337.355, 6

Similar to: 37947, 25046681, 34875997, 34875999, 34876000, ... 20 in total.
37858
 
#74

Scientific Exchange (make on demand): POD_35/0108
Acros Organics: 10245
AKOS: AKOS000280893
Alfa-Aesar: A13600
Anward: ANW-46374...86 total

ref: mol2, SDF, SMILES, flexibase
1.20,3.38,-47.79,1,4,-1, 178.167, 2

Similar to: 5160934,
37857
 
#75

ChemMol: 44010186, 30100096, 83600820
eMolecules: 521265
Molport: MolPort-001-788-438
Acros Organics: 12161
AK Scientific: H632...194 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.38,-52.35,1,3,-1, 187.174, 1

Similar to: 5162088, 6091797, 6118515, 6118860, 34591636, ... 6 in total.
5218658
 
#76

Alfa-Aesar: H66654
Ark Pharm Building Blocks: AK151358
Fluorochem: 334285
Molport BB: MolPort-003-873-321
TimTec Natural Derivatives: ST053517...12 total

ref: mol2, SDF, SMILES, flexibase
1.67,5.9,-58.16,0,5,-1, 194.166, 3
37834
 
#77

ChemMol: 97601255
eMolecules: 4782834, 1084383
Molport: MolPort-002-508-848
AK Scientific: 9029AB, Z3754
AKOS: AKOS000273957...89 total

ref: mol2, SDF, SMILES, flexibase
-0.30,4.45,-43.09,3,4,0, 216.24, 1

Similar to: 37835, 6117785, 6117786, 31474776, 31474780, ... 14 in total.
37835
 
#78

ChemMol: 97600308
eMolecules: 1084383
AK Scientific: 9029AB, Z5873
AKOS: AKOS003212588, AKOS015856022, AKOS000273957, AKOS004907297
Aldrich CPR: S277886|ALDRICH...92 total

ref: mol2, SDF, SMILES, flexibase
-0.30,4.45,-43.07,3,4,0, 216.24, 1

Similar to: 6117785, 6117786, 31474776, 31474780, 34032594, ... 14 in total.
37830
 
#79

ChemMol: 97601006
eMolecules: 4821584, 538928
Molport: MolPort-002-525-105, MolPort-022-432-322, MolPort-002-043-119
AK Scientific: 5406AE
AKOS: AKOS000265198...80 total

ref: mol2, SDF, SMILES, flexibase
0.26,6.02,-34.8,3,4,0, 230.267, 1
hi: mol2, SDF, SMILES, flexibase
0.26,4.87,-49.04,2,4,-1, 229.259, 1

Similar to: 37831, 37832, 37833, 31474732, 31474739, ... 6 in total.
37831
 
#80

eMolecules: 538928
Molport: MolPort-022-432-322, MolPort-002-043-119
AK Scientific: 5406AE
AKOS: AKOS000265198
Aldrich CPR: S278459|ALDRICH...74 total

ref: mol2, SDF, SMILES, flexibase
0.26,4.92,-39.5,3,4,0, 230.267, 1

Similar to: 37832, 37833, 31474732, 31474739, 31474744, ... 6 in total.
37832
 
#81

eMolecules: 538928
Molport: MolPort-002-043-119
AK Scientific: 5406AE
AKOS: AKOS000265198
Aldrich CPR: S278459|ALDRICH...71 total

ref: mol2, SDF, SMILES, flexibase
0.26,4.92,-39.48,3,4,0, 230.267, 1

Similar to: 37833, 31474732, 31474739, 31474744, ... 6 in total.
37833
 
#82

eMolecules: 538928
Molport: MolPort-002-043-119
AK Scientific: 5406AE
AKOS: AKOS000265198
Aldrich CPR: S278459|ALDRICH...70 total

ref: mol2, SDF, SMILES, flexibase
0.26,5.12,-38.57,3,4,0, 230.267, 1

Similar to: 31474732, 31474739, 31474744,
885612
 
#83

eMolecules: 26600967
Scientific Exchange (make on demand): H-084231
AKOS: AKOS000326347
Asinex: BAS02880844
Mcule: MCULE-4639760542...15 total

ref: mol2, SDF, SMILES, flexibase
4.96,0.18,-60.78,2,7,-1, 458.881, 7
712249
 
#84

eMolecules: 1276134
Molport: MolPort-001-946-761
Scientific Exchange (make on demand): POD_79/0165
AKOS: AKOS000297561
BioBlocks: A1689/0072141...22 total

ref: mol2, SDF, SMILES, flexibase
0.67,8.86,-68.28,0,8,-1, 400.436, 6

Similar to: 24238423,
19938759
 
#85

eMolecules: 2768678
Molport: MolPort-000-909-474
Scientific Exchange (make on demand): K-043684
AKOS: AKOS001633299
BioBlocks: A2333/0098429...23 total

ref: mol2, SDF, SMILES, flexibase
5.14,10.22,-14.43,3,9,0, 501.539, 6

Similar to: 4081850, 4081851, 4081852, 4081853, 4082053, ... 9 in total.
19938760
 
#86

eMolecules: 2768678
Molport: MolPort-000-909-474
Scientific Exchange (make on demand): K-043684
AKOS: AKOS001633299
BioBlocks: A2333/0098429...23 total

ref: mol2, SDF, SMILES, flexibase
5.14,10.27,-13.91,3,9,0, 501.539, 6

Similar to: 4081850, 4081851, 4081852, 4081853, 4082053, ... 9 in total.
19938757
 
#87

eMolecules: 2768678
Molport: MolPort-000-909-474
Scientific Exchange (make on demand): K-043684
AKOS: AKOS001633299
BioBlocks: A2333/0098429...23 total

ref: mol2, SDF, SMILES, flexibase
5.14,10.24,-13.75,3,9,0, 501.539, 6

Similar to: 21233188, 21233193, 21233198, 21233205, 21258221, ... 21 in total.
19938758
 
#88

eMolecules: 2768678
Molport: MolPort-000-909-474
Scientific Exchange (make on demand): K-043684
AKOS: AKOS001633299
BioBlocks: A2333/0098429...23 total

ref: mol2, SDF, SMILES, flexibase
5.14,10.25,-14.52,3,9,0, 501.539, 6

Similar to: 4081850, 4081851, 4081852, 4081853, 4082053, ... 9 in total.
19781989
 
#89

eMolecules: 1348459, 46474752
Molport: MolPort-001-906-010
AKOS: AKOS001646569
ChemBridge: 5882486
ChemDiv: 3702-0870...26 total

ref: mol2, SDF, SMILES, flexibase
3.14,10.22,-47.02,2,6,1, 351.43, 5
mid: mol2, SDF, SMILES, flexibase
3.14,7.97,-9.67,1,6,0, 350.422, 5
mid: mol2, SDF, SMILES, flexibase
3.14,10.22,-53.94,2,6,1, 351.43, 5

Similar to: 3879697,
19376033
 
#90

eMolecules: 1348031, 46474969
Molport: MolPort-001-504-540
AKOS: AKOS003279446, AKOS001618771
ChemBridge: 5870356
ChemDiv: 3381-0591...25 total

ref: mol2, SDF, SMILES, flexibase
3.12,10.01,-47.41,2,6,1, 351.43, 5
mid: mol2, SDF, SMILES, flexibase
3.12,10.01,-50.63,2,6,1, 351.43, 5
mid: mol2, SDF, SMILES, flexibase
3.12,7.69,-11.67,1,6,0, 350.422, 5

Similar to: 3879697,
19360189
 
#91

eMolecules: 1320185, 46474852
Molport: MolPort-001-504-688
Scientific Exchange: T-097440
AKOS: AKOS003260081
Princeton BioMolecular Research: OSSL_784007...19 total

ref: mol2, SDF, SMILES, flexibase
3.84,9.84,-39.69,2,3,1, 340.878, 4
mid: mol2, SDF, SMILES, flexibase
3.84,9.85,-41.47,2,3,1, 340.878, 4
mid: mol2, SDF, SMILES, flexibase
3.84,7.53,-7.64,1,3,0, 339.87, 4

Similar to: 6437575, 6583704, 6583707, 6583712, 6583716, ... 7 in total.
19360228
 
#92

eMolecules: 46475101, 1320125
Molport: MolPort-001-504-572
Scientific Exchange: T-097303
AKOS: AKOS001618858
Princeton BioMolecular Research: OSSL_784305...22 total

ref: mol2, SDF, SMILES, flexibase
3.81,9.76,-37.69,2,3,1, 340.878, 4
mid: mol2, SDF, SMILES, flexibase
3.81,9.79,-34.63,2,3,1, 340.878, 4
mid: mol2, SDF, SMILES, flexibase
3.81,7.37,-6.89,1,3,0, 339.87, 4

Similar to: 6567885, 6583707, 6583708, 6583727, ... 4 in total.
4179506
 
#93

eMolecules: 1274076
Molport: MolPort-001-946-539
AKOS: AKOS000659566
ChemDiv: 8002-4293
Mcule: MCULE-9288290968...14 total

ref: mol2, SDF, SMILES, flexibase
0.55,-8.9,-13.96,4,8,0, 270.241, 4

Similar to: 5740965, 13603331, 4179501, 4179503, 4179505, ... 5 in total.
4179505
 
#94

eMolecules: 1274076
Molport: MolPort-001-946-539
AKOS: AKOS000659566
ChemDiv: 8002-4293
Mcule: MCULE-9288290968...14 total

ref: mol2, SDF, SMILES, flexibase
0.55,-9.49,-11.84,4,8,0, 270.241, 4

Similar to: 4179506, 5740965, 13603331,
4179503
 
#95

eMolecules: 1274076
Molport: MolPort-001-946-539
AKOS: AKOS000659566
ChemDiv: 8002-4293
Mcule: MCULE-9288290968...14 total

ref: mol2, SDF, SMILES, flexibase
0.55,-8.76,-12.84,4,8,0, 270.241, 4

Similar to: 4179505, 4179506, 5740965, 13603331, ... 5 in total.
4179501
 
#96

eMolecules: 1274076
Molport: MolPort-001-946-539
AKOS: AKOS000659566
ChemDiv: 8002-4293
Mcule: MCULE-9288290968...14 total

ref: mol2, SDF, SMILES, flexibase
0.55,-8.28,-15.48,4,8,0, 270.241, 4

Similar to: 4179503, 4179505, 4179506, 5740965, 13603331, ... 5 in total.
5126481
 
#97

eMolecules: 6776143
Molport: MolPort-002-710-971
Scientific Exchange (make on demand): F-137043
AKOS: AKOS000866896
Alinda: IBS-L0135022...23 total

ref: mol2, SDF, SMILES, flexibase
4.22,5.77,-14.89,2,6,0, 387.383, 8

Similar to: 8580066,
1530611
 
#98

ChemMol: 97900321, 30105036
eMolecules: 1883445, 537291
Molport: MolPort-000-917-727
Scientific Exchange (make on demand): C-012669, E-091231
Active BioPharma: 625...154 total

ref: mol2, SDF, SMILES, flexibase
3.92,10.5,-39.26,2,2,1, 267.396, 4

Similar to: 3650088, 5159398, 32237449, 32237458, 34639482, ... 10 in total.
36422
 
#99

eMolecules: 539548
Molport: MolPort-000-928-019
AKOS: AKOS001204263
Aldrich CPR: S457507|ALDRICH, S946400|ALDRICH
Alinda Building Blocks: ALBB-021432...44 total

ref: mol2, SDF, SMILES, flexibase
0.81,5.45,-36.31,0,4,-1, 167.14, 1
4179475
 
#100

eMolecules: 746500
AKOS: AKOS002126453
ChemDiv: K815-0074
IBScreen NP: STOCK1N-00849
Innovapharm: STT-00107926...24 total

ref: mol2, SDF, SMILES, flexibase
4.58,10.57,-139.4,0,7,-2, 440.407, 4
mid: mol2, SDF, SMILES, flexibase
4.58,9.97,-60.78,1,7,-1, 441.415, 4
mid: mol2, SDF, SMILES, flexibase
4.58,9.63,-28.94,2,7,0, 442.423, 4

Similar to: 6143155, 6143156, 8453187,

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 = 527 ) limit 0,100

Smiles were