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5381667
 
#1

eMolecules: 46447009
Molport: MolPort-001-497-262
AKOS: AKOS003272619
Alinda: IBS-0000008
Mcule: MCULE-3593602610...13 total

ref: mol2, SDF, SMILES, flexibase
3.06,-1.25,-20.35,2,4,0, 283.356, 3
12345893
 
#2

Molport: MolPort-003-003-800
AKOS: AKOS005437857
Alinda: IBS-0000009
Mcule: MCULE-4456843653
PBMR Labs (Depleted): PS_1376666...6 total

ref: mol2, SDF, SMILES, flexibase
6.51,0.53,-17.08,1,4,0, 450.369, 6
12345900
 
#3

Molport: MolPort-003-003-801
AKOS: AKOS005437882
Alinda: IBS-0000010
Mcule: MCULE-3683104449
PBMR Labs (Depleted): PS_1375977...6 total

ref: mol2, SDF, SMILES, flexibase
5.33,0.83,-19.51,1,5,0, 424.548, 7
18191502
 
#4

eMolecules: 46402827
Molport: MolPort-003-003-811
AKOS: AKOS005438004
Alinda: IBS-0000021
Mcule: MCULE-5896649396...9 total

ref: mol2, SDF, SMILES, flexibase
3.11,5.74,-16.14,2,5,0, 343.184, 3
5513604
 
#5

eMolecules: 1681538
Molport: MolPort-001-024-926
Scientific Exchange: Z-095880
AKOS: AKOS003238977
Alinda: IBS-0000076...15 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.64,-11.08,2,5,0, 360.413, 6

Similar to: 6311419, 7113846, 7247290, 7247532, 7247567, ... 21 in total.
12341351
 
#6

Molport: MolPort-002-142-475
Alinda: IBS-0000077
Mcule: MCULE-7492224811
ChemDB: 4172716
Collaborative Drug Discovery: 352325...7 total

ref: mol2, SDF, SMILES, flexibase
2.46,2.18,-21.8,0,2,0, 174.199, 0

Similar to: 39284118,
3073518
 
#7

eMolecules: 1680641
Molport: MolPort-001-018-129
Scientific Exchange (make on demand): Z-006370
AKOS: AKOS001725629
Alinda: IBS-0000081...22 total

ref: mol2, SDF, SMILES, flexibase
4.31,-2.16,-8.01,1,4,0, 323.389, 7
hi: mol2, SDF, SMILES, flexibase
4.31,-1.6,-41.22,0,4,-1, 322.381, 7

Similar to: 36682807, 36682942,
3073520
 
#8

eMolecules: 2772270
Molport: MolPort-001-018-135
Scientific Exchange (make on demand): Z-006377
AKOS: AKOS003237825
Alinda: IBS-0000082...16 total

ref: mol2, SDF, SMILES, flexibase
3.25,-3.3,-10.06,1,4,0, 309.362, 6

Similar to: 8059973, 8059998, 26358897, 34378668, 34378669, ... 5 in total.
2817975
 
#9

eMolecules: 1680647
Molport: MolPort-001-018-136
Scientific Exchange (make on demand): Z-006378
AKOS: AKOS000641504
Alinda: IBS-0000083...18 total

ref: mol2, SDF, SMILES, flexibase
2.91,-3.71,-11.44,1,5,0, 325.361, 7

Similar to: 8519345, 32214456, 32214460, 32214463, 42894844, ... 6 in total.
61067
 
#10

Scientific Exchange (make on demand): POD_46/0781
Alinda: IBS-0000087
Florida Heterocyclic Compounds: 1583
Mcule: MCULE-8190528560
AsisChem (Depleted): ACLSC-188418...9 total

ref: mol2, SDF, SMILES, flexibase
1.29,7.03,-9.15,0,4,0, 164.212, 1
18191578
 
#11

eMolecules: 46447011
Molport: MolPort-003-003-852
AKOS: AKOS005437959
Alinda: IBS-0000106
American Custom Chemicals Corp.: NEW0098961...13 total

ref: mol2, SDF, SMILES, flexibase
0.54,4.1,-13.69,1,5,0, 240.266, 3
87374
 
#12

eMolecules: 1323610
Scientific Exchange (make on demand): X-006871
AKOS: AKOS000641719
Alinda: IBS-0000116
Asinex: BAS01256322...24 total

ref: mol2, SDF, SMILES, flexibase
1.84,4.6,-13.35,1,5,0, 275.304, 6

Similar to: 6528142, 14511064, 30864521, 34929275, ... 4 in total.
360805
 
#13

eMolecules: 1171907
Molport: MolPort-001-893-888
Scientific Exchange (make on demand): M-090140
AKOS: AKOS000462623
Alinda: IBS-0000120...24 total

ref: mol2, SDF, SMILES, flexibase
2.04,0.01,-11.28,1,4,0, 238.246, 2
143466
 
#14

eMolecules: 1317255
Scientific Exchange (make on demand): R-078184
AKOS: AKOS000188357
Alinda: IBS-0000121
Aronis: m08741...21 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.99,-9.06,1,4,0, 212.208, 2

Similar to: 36737853,
55248
 
#15

eMolecules: 3925482
Molport: MolPort-001-631-677
Scientific Exchange: POD_89/0766
AKOS: AKOS001569511
Alinda: IBS-0000127...21 total

ref: mol2, SDF, SMILES, flexibase
1.19,4.21,-12.71,1,4,0, 188.186, 2

Similar to: 39126849,
173015
 
#16

eMolecules: 2749099
Molport: MolPort-002-322-959
AKOS: AKOS005437778
Alinda: IBS-0000181
IBScreen NP: STOCK1N-04155...14 total

ref: mol2, SDF, SMILES, flexibase
2.76,1.13,-24.92,0,3,0, 286.334, 1
lo: mol2, SDF, SMILES, flexibase
2.76,1.25,-32.89,1,3,1, 287.342, 1
16575761
 
#17

eMolecules: 26918864
Molport: MolPort-003-002-701
Scientific Exchange (make on demand): H-098053
AKOS: AKOS001625598
Alinda: IBS-0000212...17 total

ref: mol2, SDF, SMILES, flexibase
5.49,10.52,-20.45,1,6,0, 449.576, 8

Similar to: 33741805,
23358531
 
#18

eMolecules: 46447333
Molport: MolPort-003-002-736
Scientific Exchange (make on demand): H-098013
AKOS: AKOS003218480
Alinda: IBS-0000276...13 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.25,-16.89,1,6,0, 367.449, 7

Similar to: 33748403,
854909
 
#19

eMolecules: 25798929
Molport: MolPort-001-941-001
AKOS: AKOS000673958
Alinda: IBS-0000404
Asinex: BAS00631671...12 total

ref: mol2, SDF, SMILES, flexibase
4.05,1.31,-16.47,2,7,0, 432.476, 8
3163847
 
#20

Molport: MolPort-002-973-700
Alinda: IBS-0000416
Mcule: MCULE-2998226976
ChemDB: 6941504
PubChem: 4498406...5 total

ref: mol2, SDF, SMILES, flexibase
2.18,1.91,-11.35,1,3,0, 240.287, 4
800889
 
#21

eMolecules: 1480712
Scientific Exchange (make on demand): T-019254
AK Scientific: 5263AD
AKOS: AKOS000275087
Alinda: IBS-0000436...53 total

ref: mol2, SDF, SMILES, flexibase
1.88,5.54,-8.07,1,2,0, 158.204, 1
18191850
 
#22

Molport: MolPort-003-004-000
AKOS: AKOS005437816
Alinda: IBS-0000438
Mcule: MCULE-6225339848
PBMR Labs (Depleted): PS_1293918...6 total

ref: mol2, SDF, SMILES, flexibase
3.49,8.69,-13.44,1,5,0, 306.369, 4
18191855
 
#23

Molport: MolPort-003-004-001
AKOS: AKOS005437840
Alinda: IBS-0000439
Mcule: MCULE-1549203521
PBMR Labs (Depleted): PS_1367658...6 total

ref: mol2, SDF, SMILES, flexibase
3.67,8.61,-10.54,1,5,0, 326.787, 4
434503
 
#24

eMolecules: 2099294
Molport: MolPort-002-165-395
AKOS: AKOS005437896
Alinda: IBS-0000446
Mcule: MCULE-6597610959...12 total

ref: mol2, SDF, SMILES, flexibase
0.02,-1.52,-14.23,3,5,0, 215.212, 1
mid: mol2, SDF, SMILES, flexibase
0.02,-1.11,-41.03,4,5,1, 216.22, 1
434502
 
#25

eMolecules: 2099294
Molport: MolPort-002-165-395
AKOS: AKOS005437896
Alinda: IBS-0000446
Mcule: MCULE-6597610959...12 total

ref: mol2, SDF, SMILES, flexibase
0.02,-1.51,-14.22,3,5,0, 215.212, 1
mid: mol2, SDF, SMILES, flexibase
0.02,-1.12,-41.07,4,5,1, 216.22, 1
276900
 
#26

Molport: MolPort-001-887-032
AKOS: AKOS000520282
Alinda: IBS-0000449
Mcule: MCULE-3715220783
ChemDB: 5074233...9 total

ref: mol2, SDF, SMILES, flexibase
1.66,-3.01,-19.31,2,5,0, 305.337, 3

Similar to: 12885527,
276897
 
#27

Molport: MolPort-001-887-032
AKOS: AKOS000520282
Alinda: IBS-0000449
Mcule: MCULE-3715220783
ChemDB: 5074233...9 total

ref: mol2, SDF, SMILES, flexibase
1.66,-3.03,-19.18,2,5,0, 305.337, 3

Similar to: 12885527,
2083667
 
#28

eMolecules: 4038741
Molport: MolPort-001-029-438
Scientific Exchange: X-045949
AKOS: AKOS003236246
Alinda: IBS-0000450...16 total

ref: mol2, SDF, SMILES, flexibase
4.00,-0.21,-6.73,1,2,0, 361.077, 2

Similar to: 21304765, 21304770,
2083666
 
#29

eMolecules: 4038741
Molport: MolPort-001-029-438
Scientific Exchange: X-045949
AKOS: AKOS003236246
Alinda: IBS-0000450...16 total

ref: mol2, SDF, SMILES, flexibase
4.00,-0.1,-7.87,1,2,0, 361.077, 2

Similar to: 21304765, 21304770,
2755301
 
#30

eMolecules: 4106076
Molport: MolPort-001-029-448
Scientific Exchange: X-046035
AKOS: AKOS003236882
Alinda: IBS-0000451...14 total

ref: mol2, SDF, SMILES, flexibase
4.68,10.84,-7.08,1,2,0, 423.148, 4
2755300
 
#31

eMolecules: 4106076
Molport: MolPort-001-029-448
Scientific Exchange: X-046035
AKOS: AKOS003236882
Alinda: IBS-0000451...14 total

ref: mol2, SDF, SMILES, flexibase
4.68,-0.41,-8.47,1,2,0, 423.148, 4
84506
 
#32

eMolecules: 1315751
Scientific Exchange (make on demand): X-046143
AKOS: AKOS000619616
Alinda: IBS-0000452
Asinex: BAS01173479...29 total

ref: mol2, SDF, SMILES, flexibase
2.92,6.49,-12.85,0,4,0, 286.356, 2

Similar to: 34536075,
466093
 
#33

eMolecules: 2212795
Molport: MolPort-001-634-731
Scientific Exchange (make on demand): M-130168
AKOS: AKOS001299299
Alinda: IBS-0000461...22 total

ref: mol2, SDF, SMILES, flexibase
2.07,7.33,-11.96,1,4,0, 262.334, 5

Similar to: 9833816, 9871634,
4723565
 
#34

eMolecules: 7697949
Molport: MolPort-001-562-596
Scientific Exchange (make on demand): M-130187
AKOS: AKOS003302263
Alinda: IBS-0000462...16 total

ref: mol2, SDF, SMILES, flexibase
2.51,-1.14,-11.73,1,3,0, 278.402, 5

Similar to: 8874043, 8874195, 8909618, 10554321, 25559162, ... 8 in total.
12346059
 
#35

eMolecules: 46402996
Molport: MolPort-003-004-014
AKOS: AKOS005438016
Alinda: IBS-0000465
Mcule: MCULE-4455742470...9 total

ref: mol2, SDF, SMILES, flexibase
4.01,-0.2,-19.38,2,6,0, 396.45, 5
461695
 
#36

eMolecules: 2202814
Molport: MolPort-001-545-797
Scientific Exchange: Q-080688
AKOS: AKOS001331988
Alinda: IBS-0000494...26 total

ref: mol2, SDF, SMILES, flexibase
3.69,7.92,-8.17,1,3,0, 253.301, 4

Similar to: 5917658, 37118253, 44809318, 44809319, ... 5 in total.
69762
 
#37

eMolecules: 1307768
Molport: MolPort-001-493-424
Scientific Exchange: R-035552
AKOS: AKOS000520072
Alinda: IBS-0000498...22 total

ref: mol2, SDF, SMILES, flexibase
1.37,0.58,-27.71,1,5,0, 271.32, 3

Similar to: 365251, 365252, 4212269, 5378098, 15413777, ... 6 in total.
3327599
 
#38

eMolecules: 3169358
Molport: MolPort-003-004-036
Scientific Exchange (make on demand): H-068207
AKOS: AKOS001047206
Alinda: IBS-0000501...15 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.32,-8.16,2,4,0, 238.674, 3
70385
 
#39

eMolecules: 5171845
Molport: MolPort-003-004-037
Scientific Exchange (make on demand): H-068218
AKOS: AKOS002248753
Alinda: IBS-0000502...17 total

ref: mol2, SDF, SMILES, flexibase
1.17,4.53,-10.24,2,4,0, 218.256, 4
12410310
 
#40

eMolecules: 44861297
Molport: MolPort-001-032-595
Scientific Exchange (make on demand): X-066172
AKOS: AKOS003241409
Alinda: IBS-0000509...15 total

ref: mol2, SDF, SMILES, flexibase
1.00,-0.8,-12.11,1,4,0, 203.245, 3

Similar to: 5384093, 5826654, 5890331, 6693181, 6782937, ... 5 in total.
206677
 
#41

eMolecules: 1172336
Molport: MolPort-001-917-548
AKOS: AKOS000555995
Alinda: IBS-0000542
Alinda Building Blocks: ALBB-012528...28 total

ref: mol2, SDF, SMILES, flexibase
3.67,8.51,-9.87,0,5,0, 321.258, 4

Similar to: 2774991, 184369,
92094
 
#42

eMolecules: 1257926
Molport: MolPort-000-900-958
Scientific Exchange (make on demand): POD_22/0020
AKOS: AKOS001059383
Alinda: IBS-0000609...22 total

ref: mol2, SDF, SMILES, flexibase
3.64,5.16,-12.08,1,4,0, 281.34, 3
18192114
 
#43

Molport: MolPort-003-004-101
AKOS: AKOS005437707
Alinda: IBS-0000644
Mcule: MCULE-7293139201
PBMR Labs (Depleted): PS_1304664...6 total

ref: mol2, SDF, SMILES, flexibase
5.68,11.02,-16.25,2,6,0, 442.302, 8

Similar to: 33575422, 33587820, 33670739, 33747789, 33747790, ... 18 in total.
12362716
 
#44

eMolecules: 46478070
Molport: MolPort-002-969-614
AKOS: AKOS005413273
Alinda: IBS-0000650
Mcule: MCULE-8848568128...10 total

ref: mol2, SDF, SMILES, flexibase
3.29,0.87,-16.9,1,4,0, 280.327, 6
4711908
 
#45

eMolecules: 46389241
Molport: MolPort-002-969-500
AKOS: AKOS005413377
Alinda: IBS-0000667
Mcule: MCULE-4465557752...10 total

ref: mol2, SDF, SMILES, flexibase
3.58,-1.68,-13.66,2,5,0, 376.254, 6

Similar to: 6297727, 34862299, 34862432, 34877734, 34878559, ... 8 in total.
4616984
 
#46

eMolecules: 26509334
Scientific Exchange (make on demand): R-049867
AKOS: AKOS000494090
Alinda: IBS-0000676
Aronis: a05224...18 total

ref: mol2, SDF, SMILES, flexibase
5.47,2.35,-13.34,1,3,0, 320.436, 5
143576
 
#47

eMolecules: 1105067
Molport: MolPort-001-492-793
Scientific Exchange: R-008909
AKOS: AKOS000205116
Aldrich CPR: S712175|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
4.63,-2.09,-9.11,2,3,0, 325.593, 2

Similar to: 6333082,
4948726
 
#48

eMolecules: 25838526
Molport: MolPort-002-131-100
AKOS: AKOS005437709
Alinda: IBS-0000733
ChemBridge: 5111075...13 total

ref: mol2, SDF, SMILES, flexibase
3.85,0.52,-12.52,1,4,0, 295.386, 7

Similar to: 5308977, 5383978, 5456944, 25557532, 33855753, ... 5 in total.
284725
 
#49

eMolecules: 1155564
Molport: MolPort-001-492-797
Scientific Exchange (make on demand): R-008959
AKOS: AKOS000494176
Aldrich CPR: S595373|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
4.45,-1.3,-7.32,2,3,0, 281.142, 2

Similar to: 36744117, 36744140, 36744154,
19790011
 
#50

eMolecules: 8831540
Molport: MolPort-002-797-301
Scientific Exchange: E-022086
Alinda: IBS-0000789
ChemBridge: 6035507...18 total

ref: mol2, SDF, SMILES, flexibase
1.07,5.98,-9.45,0,4,0, 299.349, 3

Similar to: 5768503,
20064284
 
#51

eMolecules: 2770181
Molport: MolPort-002-332-195
AKOS: AKOS005431752
Alinda: IBS-0000791
ChemBridge: 6034120...14 total

ref: mol2, SDF, SMILES, flexibase
1.98,8.19,-10.06,0,4,0, 297.402, 4

Similar to: 4927439, 16463161, 739544, 739633, 4508870, ... 15 in total.
15980038
 
#52

eMolecules: 17065300
Molport: MolPort-003-004-161
AKOS: AKOS005438051
Alinda: IBS-0000826
Mcule: MCULE-3376587248...11 total

ref: mol2, SDF, SMILES, flexibase
4.12,9.34,-16.69,2,4,0, 329.403, 5

Similar to: 31091845, 34427656,
1013689
 
#53

ChemMol: 96708151
eMolecules: 1229286
Molport: MolPort-001-506-718
AKOS: AKOS000560873
Alinda: IBS-0000859...22 total

ref: mol2, SDF, SMILES, flexibase
5.87,12.39,-11.12,0,5,0, 462.884, 3
18173216
 
#54

Molport: MolPort-003-002-800
Scientific Exchange (make on demand): E-074818
AKOS: AKOS005435234
Alinda: IBS-0000882
Mcule: MCULE-8686555168...7 total

ref: mol2, SDF, SMILES, flexibase
3.32,8.71,-15.88,1,3,0, 304.44, 6
6344317
 
#55

Scientific Exchange (make on demand): M-130109
AKOS: AKOS005432657
Alinda: IBS-0000888
Mcule: MCULE-8540767670
UORSY Make-on-demand: PB18817332...11 total

ref: mol2, SDF, SMILES, flexibase
3.20,0.61,-10.32,0,2,0, 263.406, 4

Similar to: 58236633, 58236637, 58236640, 58236643, ... 5 in total.
4536407
 
#56

eMolecules: 1471082
Molport: MolPort-001-512-861
Scientific Exchange (make on demand): C-016507
AKOS: AKOS000652591
Alinda: IBS-0000889...15 total

ref: mol2, SDF, SMILES, flexibase
2.34,-0.3,-15.91,1,3,0, 258.346, 5
18192298
 
#57

Molport: MolPort-003-004-200
Alinda: IBS-0000895
Mcule: MCULE-5550585239
PBMR Labs (Depleted): PS_1372350
PubChem: 24214815...7 total

ref: mol2, SDF, SMILES, flexibase
2.22,6.41,-11.17,2,4,0, 345.262, 7
18192295
 
#58

Molport: MolPort-003-004-200
Alinda: IBS-0000895
Mcule: MCULE-5550585239
PBMR Labs (Depleted): PS_1372350
PubChem: 24214815...7 total

ref: mol2, SDF, SMILES, flexibase
2.22,6.41,-11.15,2,4,0, 345.262, 7
18192300
 
#59

Molport: MolPort-003-004-201
AKOS: AKOS005438991
Alinda: IBS-0000896
Mcule: MCULE-2719256715
PBMR Labs (Depleted): PS_1156485...6 total

ref: mol2, SDF, SMILES, flexibase
2.81,6.2,-12.61,2,5,0, 296.392, 9

Similar to: 21770342,
10146650
 
#60

Molport: MolPort-001-736-500
Scientific Exchange (make on demand): M-836491
Alinda: IBS-0000901
Mcule: MCULE-8722956667
PubChem: 16494612...6 total

ref: mol2, SDF, SMILES, flexibase
3.53,-1.76,-17.32,2,4,0, 354.475, 8

Similar to: 55681350, 55681540, 55681803,
6597358
 
#61

Molport: MolPort-003-002-801
Scientific Exchange (make on demand): M-130044
AKOS: AKOS005432683
Alinda: IBS-0000908
ChemDB: 6157009...7 total

ref: mol2, SDF, SMILES, flexibase
0.66,8.16,-17.86,1,5,0, 248.311, 5
5009691
 
#62

eMolecules: 25869510
Molport: MolPort-002-117-078
Scientific Exchange (make on demand): R-011267
AKOS: AKOS005431118
Alinda: IBS-0000925...17 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.54,-18.35,1,5,0, 318.398, 6

Similar to: 6492690,
5009976
 
#63

eMolecules: 25869884
Molport: MolPort-003-002-803
AKOS: AKOS003257113
Alinda: IBS-0000927
American Custom Chemicals Corp.: CHM0247509...15 total

ref: mol2, SDF, SMILES, flexibase
1.51,5.64,-18.82,1,6,0, 313.357, 6

Similar to: 5335487, 6492689,
284763
 
#64

eMolecules: 632234
AKOS: AKOS001734211
Aldrich CPR: R438588|ALDRICH
Alinda: IBS-0000953
BioBlocks: A3437/0145876...28 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.86,-14.97,2,5,0, 300.358, 6

Similar to: 6475594, 25091320, 33708153, 34929636, 43000610, ... 6 in total.
245473
 
#65

eMolecules: 648046
Scientific Exchange (make on demand): Z-003780
AKOS: AKOS000675196
Aldrich CPR: R552011|ALDRICH
Alinda: IBS-0000962...29 total

ref: mol2, SDF, SMILES, flexibase
1.16,2.9,-13.91,3,6,0, 262.313, 3
18192363
 
#66

eMolecules: 17065462
Molport: MolPort-003-004-249
AKOS: AKOS005439102
Alinda: IBS-0000966
Mcule: MCULE-2215099714...10 total

ref: mol2, SDF, SMILES, flexibase
1.52,5.12,-12.48,1,4,0, 249.273, 2
lo: mol2, SDF, SMILES, flexibase
1.52,5.4,-38.6,2,4,1, 250.281, 2

Similar to: 21217734,
12346327
 
#67

eMolecules: 46403166
Molport: MolPort-003-004-266
AKOS: AKOS005438209
Alinda: IBS-0000986
Mcule: MCULE-3211144456...10 total

ref: mol2, SDF, SMILES, flexibase
4.51,-0.92,-11.77,1,5,0, 381.567, 11
18192460
 
#68

Molport: MolPort-003-004-300
AKOS: AKOS005439026
Alinda: IBS-0001056
Mcule: MCULE-1402178598
PubChem: 24214892...5 total

ref: mol2, SDF, SMILES, flexibase
2.90,7.24,-11.82,1,5,0, 296.326, 5

Similar to: 42969338,
18192462
 
#69

Molport: MolPort-003-004-301
AKOS: AKOS005439027
Alinda: IBS-0001057
American Custom Chemicals Corp.: CHM0237003
Mcule: MCULE-8613249037...7 total

ref: mol2, SDF, SMILES, flexibase
3.88,8.56,-11.13,2,5,0, 331.375, 5
260326
 
#70

eMolecules: 15208799
Molport: MolPort-003-004-327
AKOS: AKOS000604026
Alinda: IBS-0001131
Mcule: MCULE-9629714995...12 total

ref: mol2, SDF, SMILES, flexibase
3.08,0.12,-12.91,1,6,0, 344.392, 5
4851531
 
#71

eMolecules: 1276972
Molport: MolPort-001-947-001
Scientific Exchange (make on demand): X-031723
AKOS: AKOS000596943
Alinda: IBS-0001245...16 total

ref: mol2, SDF, SMILES, flexibase
2.64,-3.17,-22.66,1,6,0, 328.434, 7

Similar to: 2927259,
1234445
 
#72

eMolecules: 1230057
Molport: MolPort-001-021-210
Scientific Exchange: AL-08748
Scientific Exchange (make on demand): Z-067426
AKOS: AKOS000493483...23 total

ref: mol2, SDF, SMILES, flexibase
3.32,4.88,-16.38,3,5,0, 352.415, 4
125239
 
#73

eMolecules: 1121324
Scientific Exchange (make on demand): Z-069098
AKOS: AKOS000484678
Alinda: IBS-0001291
Aronis: M01760...26 total

ref: mol2, SDF, SMILES, flexibase
4.28,9.76,-12.09,1,3,0, 301.345, 4

Similar to: 7770518, 44124615,
18192663
 
#74

eMolecules: 17065740
Molport: MolPort-003-004-402
AKOS: AKOS005439110
Alinda: IBS-0001326
Mcule: MCULE-5280678600...11 total

ref: mol2, SDF, SMILES, flexibase
1.57,5.11,-12.74,1,4,0, 249.273, 2
lo: mol2, SDF, SMILES, flexibase
1.57,5.4,-37.96,2,4,1, 250.281, 2
12346479
 
#75

eMolecules: 46447097
Molport: MolPort-003-004-422
Alinda: IBS-0001346
Vitas-M: STK329926
Princeton BioMolecular (Depleted): OSSL_050818...7 total

ref: mol2, SDF, SMILES, flexibase
3.41,2.12,-11.05,1,5,0, 371.403, 4
12346473
 
#76

eMolecules: 46447097
Molport: MolPort-003-004-422
Alinda: IBS-0001346
Vitas-M: STK329926
Princeton BioMolecular (Depleted): OSSL_050818...7 total

ref: mol2, SDF, SMILES, flexibase
3.41,2.13,-11.11,1,5,0, 371.403, 4
342430
 
#77

eMolecules: 26495705
Scientific Exchange (make on demand): X-062108
AKOS: AKOS002269399
Alinda: IBS-0001348
Mcule: MCULE-1639796156...14 total

ref: mol2, SDF, SMILES, flexibase
1.38,2.03,-9.17,1,5,0, 218.212, 3
225498
 
#78

eMolecules: 4015342
Molport: MolPort-001-020-063
Scientific Exchange: Z-046102
AKOS: AKOS000576624
Alinda: IBS-0001352...21 total

ref: mol2, SDF, SMILES, flexibase
3.65,0.87,-8.5,1,3,0, 335.226, 2

Similar to: 45623926,
126130
 
#79

eMolecules: 1686992
Molport: MolPort-001-030-470
Scientific Exchange (make on demand): X-062561
AKOS: AKOS000374032
Aldrich CPR: S594490|ALDRICH...27 total

ref: mol2, SDF, SMILES, flexibase
3.47,0.46,-10.21,1,3,0, 261.708, 3

Similar to: 39899443,
162981
 
#80

eMolecules: 2345778
Molport: MolPort-001-030-533
Scientific Exchange (make on demand): X-062647
AKOS: AKOS001319456
Alinda: IBS-0001356...29 total

ref: mol2, SDF, SMILES, flexibase
2.47,1.38,-11.2,1,6,0, 317.341, 6
755644
 
#81

eMolecules: 2344485
Scientific Exchange (make on demand): X-063010
AKOS: AKOS001116200
Alinda: IBS-0001357
Mcule: MCULE-9660367363...20 total

ref: mol2, SDF, SMILES, flexibase
4.45,-0.27,-10.2,0,4,0, 386.495, 5

Similar to: 25380955, 33684516, 33684518, 33684519, ... 5 in total.
993524
 
#82

eMolecules: 1229551
Molport: MolPort-001-030-874, MolPort-019-742-490
Scientific Exchange (make on demand): X-063196
AKOS: AKOS000579215
Alinda: IBS-0001358...20 total

ref: mol2, SDF, SMILES, flexibase
4.33,-2.09,-14.05,1,4,0, 350.23, 3

Similar to: 4229161, 6279341,
64654
 
#83

eMolecules: 2078937
Molport: MolPort-001-031-085
AKOS: AKOS003240223
Alinda: IBS-0001359
Mcule: MCULE-1450329276...20 total

ref: mol2, SDF, SMILES, flexibase
4.01,9.31,-11.1,1,4,0, 349.477, 5
64653
 
#84

eMolecules: 2078937
Molport: MolPort-001-031-085
AKOS: AKOS003240223
Alinda: IBS-0001359
Mcule: MCULE-1450329276...20 total

ref: mol2, SDF, SMILES, flexibase
4.01,9.31,-11.13,1,4,0, 349.477, 5
66964
 
#85

eMolecules: 1120792
Molport: MolPort-001-031-086
Scientific Exchange (make on demand): X-063503
AKOS: AKOS000579424
Alinda: IBS-0001360...21 total

ref: mol2, SDF, SMILES, flexibase
4.58,-0.29,-9.79,0,2,0, 327.836, 1

Similar to: 39308007,
35561
 
#86

eMolecules: 1084193
Molport: MolPort-001-031-313
AKOS: AKOS000579393
Alinda: IBS-0001361
ChemBridge: 5531946...20 total

ref: mol2, SDF, SMILES, flexibase
3.83,2.23,-10.18,1,4,0, 300.383, 4

Similar to: 21362071, 26362726, 26362739,
18173254
 
#87

eMolecules: 694407
Molport: MolPort-001-020-015
Scientific Exchange: Z-043246
AKOS: AKOS002949548
Aldrich CPR: R913146|ALDRICH...22 total

ref: mol2, SDF, SMILES, flexibase
4.18,9.12,-11.23,1,3,0, 314.797, 3

Similar to: 5685217, 5705055, 5705058, 5705214, 5775879, ... 19 in total.
16667641
 
#88

eMolecules: 25863441
Molport: MolPort-001-031-486
AKOS: AKOS003239744
Alinda: IBS-0001364
ChemBridge: 5538408...14 total

ref: mol2, SDF, SMILES, flexibase
5.64,8.97,-12.62,2,6,0, 432.53, 6
311849
 
#89

eMolecules: 3972718
Molport: MolPort-001-027-426
Scientific Exchange (make on demand): X-012608
AKOS: AKOS001297993
Alfa-Aesar: H56253...22 total

ref: mol2, SDF, SMILES, flexibase
4.01,1.14,-10.31,1,3,0, 261.708, 3

Similar to: 3431947, 5737773, 31982463,
5289358
 
#90

eMolecules: 46447099
Molport: MolPort-001-632-600
AKOS: AKOS003272687
Alinda: IBS-0001367
Mcule: MCULE-2343074554...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,-0.64,-13.85,1,4,0, 318.174, 3

Similar to: 6337294, 8380643, 33735522,
4487679
 
#91

eMolecules: 1532278
Molport: MolPort-002-020-709
Scientific Exchange (make on demand): M-836127
AKOS: AKOS000656977
Alinda: IBS-0001400...19 total

ref: mol2, SDF, SMILES, flexibase
3.23,6.81,-19.14,2,4,0, 312.344, 5
mid: mol2, SDF, SMILES, flexibase
3.30,4.54,-15.21,2,4,0, 312.344, 5

Similar to: 34929573, 34929780, 34930176,
556434
 
#92

eMolecules: 2047778
Molport: MolPort-002-130-849
AKOS: AKOS005432046
Alinda: IBS-0001403
IBScreen: STOCK6S-71148...20 total

ref: mol2, SDF, SMILES, flexibase
3.20,7.11,-15.89,1,3,0, 266.275, 2

Similar to: 18192714, 41720379,
12346493
 
#93

Molport: MolPort-003-004-446
Alinda: IBS-0001425
Mcule: MCULE-9312379929
PBMR Labs (Depleted): PS_1372268
Vitas-M BB (Depleted): BBL009099...7 total

ref: mol2, SDF, SMILES, flexibase
1.39,-0.75,-9.23,2,5,0, 234.255, 4
18192759
 
#94

eMolecules: 17065835
Molport: MolPort-003-004-453
AKOS: AKOS005439062
Alinda: IBS-0001434
Life Chemicals: F2964-0757...11 total

ref: mol2, SDF, SMILES, flexibase
3.86,10.59,-7.69,0,2,0, 266.369, 3

Similar to: 39373451,
335845
 
#95

eMolecules: 8601305
Molport: MolPort-002-933-888
Alinda: IBS-0001444
Mcule: MCULE-6732281613
Molport BB: MolPort-002-933-888...14 total

ref: mol2, SDF, SMILES, flexibase
2.44,-4.27,-9.68,3,4,0, 265.316, 3
2694898
 
#96

eMolecules: 852054
Scientific Exchange (make on demand): M-977784
AKOS: AKOS000310177
Alinda: IBS-0001454
Fluorochem: 026543...22 total

ref: mol2, SDF, SMILES, flexibase
-0.32,-9.58,-14.35,3,6,0, 283.353, 3
2532896
 
#97

eMolecules: 852054
Scientific Exchange (make on demand): M-977784
AKOS: AKOS000310177
Alinda: IBS-0001454
Fluorochem: 026543...22 total

ref: mol2, SDF, SMILES, flexibase
-0.32,-9.62,-15.98,3,6,0, 283.353, 3
133414
 
#98

eMolecules: 441423
Molport: MolPort-001-029-532
Scientific Exchange (make on demand): X-048240
Acros Organics: 12162
AK Scientific: 7599AB...59 total

ref: mol2, SDF, SMILES, flexibase
1.97,2.19,-12.07,4,4,0, 202.213, 1
hi: mol2, SDF, SMILES, flexibase
1.97,3.19,-59.41,3,4,-1, 201.205, 1
299908
 
#99

eMolecules: 1270719
Molport: MolPort-001-488-296
AKOS: AKOS000581246
Alinda: IBS-0001461
Chembo Pharma: KB-290656...22 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.58,-8.05,1,3,0, 257.264, 4

Similar to: 39346583,
299438
 
#100

eMolecules: 2014530
Molport: MolPort-001-533-154
AKOS: AKOS003278546
Alinda: IBS-0001464
ChemBridge: 5332873...19 total

ref: mol2, SDF, SMILES, flexibase
2.91,7.03,-9.78,1,3,0, 273.719, 4

Similar to: 40173613,

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 = 836 ) limit 0,100

Smiles were