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528289
 
#1

eMolecules: 2038093
Molport: MolPort-001-588-921
Scientific Exchange (make on demand): M-369904
AKOS: AKOS000497031
Alinda: IBS-C0005340...19 total

ref: mol2, SDF, SMILES, flexibase
3.85,-0.81,-19.6,1,3,0, 288.416, 3
206780
 
#2

eMolecules: 1412390
Scientific Exchange (make on demand): E-009091
AKOS: AKOS000497024
Alinda: IBS-L0050947
Aronis: a08159...26 total

ref: mol2, SDF, SMILES, flexibase
1.95,5.87,-10.12,0,5,0, 260.293, 3
1003538
 
#3

eMolecules: 597974
Scientific Exchange (make on demand): R-003724
AKOS: AKOS000497015
Aldrich CPR: T109444|ALDRICH
Alinda: IBS-L0050944...21 total

ref: mol2, SDF, SMILES, flexibase
4.55,-0.2,-8.9,1,3,0, 286.762, 1

Similar to: 4542373,
127538
 
#4

eMolecules: 1346581
Molport: MolPort-000-903-121
Scientific Exchange (make on demand): R-065305
AKOS: AKOS000497030
Alinda: IBS-L0050943...25 total

ref: mol2, SDF, SMILES, flexibase
3.14,6.77,-12.66,2,5,0, 312.369, 4

Similar to: 7245996, 7246006, 14348740, 23387057, 23387059, ... 8 in total.
2551991
 
#5

eMolecules: 3763745
Molport: MolPort-001-583-420
Scientific Exchange (make on demand): M-273672
AKOS: AKOS000497029
Alinda: IBS-L0050942...15 total

ref: mol2, SDF, SMILES, flexibase
7.77,0.17,-14.41,2,6,0, 519.432, 7

Similar to: 5785074, 16487784, 34521221, 34948894, ... 4 in total.
1236197
 
#6

eMolecules: 3763743
Molport: MolPort-001-583-421
Scientific Exchange (make on demand): M-273674
AKOS: AKOS000497021
Alinda: IBS-L0050941...15 total

ref: mol2, SDF, SMILES, flexibase
4.36,-3.04,-27.36,4,9,0, 407.217, 4
2551599
 
#7

eMolecules: 26566107
Molport: MolPort-001-557-737
Scientific Exchange (make on demand): M-077399
AKOS: AKOS000497013
Alinda: IBS-L0050939...16 total

ref: mol2, SDF, SMILES, flexibase
4.77,-3.77,-26.24,3,5,0, 501.349, 6
1924643
 
#8

eMolecules: 26566105
Molport: MolPort-001-572-112
Scientific Exchange (make on demand): M-169158
AKOS: AKOS000497126
Alinda: IBS-L0050938...18 total

ref: mol2, SDF, SMILES, flexibase
2.12,-1.96,-19.53,3,5,0, 296.326, 5

Similar to: 6095606, 6271714,
949254
 
#9

eMolecules: 25934117
Scientific Exchange (make on demand): Q-086417
AKOS: AKOS000497125
Alinda: IBS-L0050937
Aronis: a08149...21 total

ref: mol2, SDF, SMILES, flexibase
3.51,6.86,-61.42,1,7,-1, 416.866, 6
lo: mol2, SDF, SMILES, flexibase
3.51,6.87,-20.33,2,7,0, 417.874, 6
941461
 
#10

eMolecules: 26457779
Molport: MolPort-001-572-115
Scientific Exchange (make on demand): M-169191
AKOS: AKOS000497120
Alinda: IBS-L0050936...18 total

ref: mol2, SDF, SMILES, flexibase
3.00,-3.17,-14.05,3,5,0, 356.447, 5

Similar to: 5895999, 5896026, 6097764, 6129544, 16004230, ... 8 in total.
2551606
 
#11

eMolecules: 3763735
Molport: MolPort-001-557-748
Scientific Exchange (make on demand): M-078366
AKOS: AKOS000497119
Alinda: IBS-L0050935...15 total

ref: mol2, SDF, SMILES, flexibase
2.31,-4.69,-23.1,3,5,0, 389.218, 5
1924692
 
#12

eMolecules: 26068965
Molport: MolPort-001-572-114
Scientific Exchange (make on demand): M-169185
AKOS: AKOS000497114
Alinda: IBS-L0050934...19 total

ref: mol2, SDF, SMILES, flexibase
2.35,-0.34,-16.04,1,4,0, 260.318, 4

Similar to: 6096061,
637766
 
#13

eMolecules: 667307
Molport: MolPort-001-580-474
Scientific Exchange (make on demand): M-235530
AKOS: AKOS000497107
Aldrich CPR: R715212|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
4.38,5.95,-14.11,4,6,0, 364.534, 4

Similar to: 637768, 6794635, 6795427, 12343510, ... 4 in total.
637768
 
#14

eMolecules: 667307
Molport: MolPort-001-580-474
Scientific Exchange (make on demand): M-235530
AKOS: AKOS000497107
Aldrich CPR: R715212|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
4.38,5.96,-14.35,4,6,0, 364.534, 4

Similar to: 6794635, 6795427, 12343510,
1003751
 
#15

eMolecules: 2245737
Molport: MolPort-001-580-339
Scientific Exchange (make on demand): M-235097
AKOS: AKOS000497106
Alinda: IBS-L0050932...19 total

ref: mol2, SDF, SMILES, flexibase
3.91,-6.46,-28.22,3,7,0, 447.582, 8
1110202
 
#16

eMolecules: 2001543
Molport: MolPort-001-560-991
Scientific Exchange (make on demand): M-120134
AKOS: AKOS000497105
Alinda: IBS-L0050931...21 total

ref: mol2, SDF, SMILES, flexibase
4.70,10.6,-15.07,2,5,0, 394.858, 6

Similar to: 6477327, 8200004,
2551732
 
#17

eMolecules: 3763733
Molport: MolPort-001-557-220
Scientific Exchange (make on demand): M-069350
AKOS: AKOS000497104
Alinda: IBS-L0050930...15 total

ref: mol2, SDF, SMILES, flexibase
5.02,13.24,-24.61,3,5,0, 451.551, 7
859491
 
#18

eMolecules: 2245003
Molport: MolPort-001-572-250
Scientific Exchange (make on demand): M-170462
AKOS: AKOS000497103
Alinda: IBS-L0050929...20 total

ref: mol2, SDF, SMILES, flexibase
4.17,-4.39,-14.27,2,5,0, 358.463, 5
hi: mol2, SDF, SMILES, flexibase
4.17,-3.81,-48.09,1,5,-1, 357.455, 5

Similar to: 3000279, 21305829, 21305833, 21305879, 21305923, ... 6 in total.
1236599
 
#19

eMolecules: 2245431
Molport: MolPort-001-626-045
Scientific Exchange (make on demand): M-170498
AKOS: AKOS000497086
Alinda: IBS-L0050928...20 total

ref: mol2, SDF, SMILES, flexibase
4.39,-3.33,-19.67,2,6,0, 410.495, 7
hi: mol2, SDF, SMILES, flexibase
4.39,-2.75,-53.21,1,6,-1, 409.487, 7

Similar to: 6270327, 14399308, 14401291, 25376240, ... 4 in total.
1118988
 
#20

eMolecules: 2240081
Molport: MolPort-001-572-244
Scientific Exchange (make on demand): M-170443
AKOS: AKOS000497085
Alinda: IBS-L0050927...20 total

ref: mol2, SDF, SMILES, flexibase
4.01,-3.91,-19.28,2,6,0, 396.468, 7
hi: mol2, SDF, SMILES, flexibase
4.01,-3.33,-54.76,1,6,-1, 395.46, 7
1298561
 
#21

eMolecules: 3763731
Molport: MolPort-001-557-441
Scientific Exchange (make on demand): M-071036
AKOS: AKOS000497084
Alinda: IBS-L0050926...16 total

ref: mol2, SDF, SMILES, flexibase
3.28,9.31,-24.37,3,6,0, 405.479, 7
1118094
 
#22

eMolecules: 2239297
Molport: MolPort-001-572-251
Scientific Exchange (make on demand): M-170463
AKOS: AKOS000497212
Alinda: IBS-L0050925...20 total

ref: mol2, SDF, SMILES, flexibase
4.37,-4.74,-19.36,2,6,0, 461.337, 7
hi: mol2, SDF, SMILES, flexibase
4.37,-4.16,-52.44,1,6,-1, 460.329, 7

Similar to: 16490412,
2551799
 
#23

eMolecules: 3763729
Molport: MolPort-001-577-803
Scientific Exchange (make on demand): M-204418
AKOS: AKOS000497211
Alinda: IBS-L0050924...15 total

ref: mol2, SDF, SMILES, flexibase
4.94,-3.36,-29.8,3,6,0, 478.412, 10
4983808
 
#24

eMolecules: 2227114
Molport: MolPort-001-557-396
Scientific Exchange (make on demand): M-070694
AKOS: AKOS000497083
Alinda: IBS-L0050923...18 total

ref: mol2, SDF, SMILES, flexibase
3.12,-2.68,-18.15,3,5,0, 381.482, 6
1236186
 
#25

eMolecules: 3763727
Molport: MolPort-001-580-352
Scientific Exchange (make on demand): M-235137
AKOS: AKOS000497082
Alinda: IBS-C0005339...18 total

ref: mol2, SDF, SMILES, flexibase
3.94,-4.6,-30.37,2,7,0, 467.572, 7
4657170
 
#26

eMolecules: 2248008
Molport: MolPort-001-580-483
Scientific Exchange (make on demand): M-235550
AKOS: AKOS000497210
Alinda: IBS-L0050921...21 total

ref: mol2, SDF, SMILES, flexibase
5.18,-0.65,-23.86,2,6,0, 426.557, 12

Similar to: 44707153,
493454
 
#27

eMolecules: 1308747
Molport: MolPort-001-012-393
Scientific Exchange: POD_26/0596
AKOS: AKOS000497209
Alinda: IVK/8125801...22 total

ref: mol2, SDF, SMILES, flexibase
2.36,5.97,-8.28,0,4,0, 230.267, 2

Similar to: 6223448,
870318
 
#28

eMolecules: 1385947
Scientific Exchange (make on demand): R-001114
AKOS: AKOS000497208
Alinda: IBS-L0050918
Aronis: a08130...21 total

ref: mol2, SDF, SMILES, flexibase
2.96,-6.89,-18.61,3,7,0, 374.447, 5
hi: mol2, SDF, SMILES, flexibase
2.96,-6.33,-48.41,2,7,-1, 373.439, 5

Similar to: 3187167, 3434533, 6623362, 39892027, 39892038, ... 6 in total.
4012244
 
#29

eMolecules: 1180782
Molport: MolPort-001-486-724
Scientific Exchange (make on demand): X-074791
AKOS: AKOS000497199
Alinda: IBS-L0050916...20 total

ref: mol2, SDF, SMILES, flexibase
2.61,0.99,-11.64,0,4,0, 348.446, 5

Similar to: 14775483, 2737184,
870317
 
#30

eMolecules: 1385945
Molport: MolPort-001-498-362
Scientific Exchange (make on demand): T-067089
AKOS: AKOS000497198
Alinda: IBS-L0050915...22 total

ref: mol2, SDF, SMILES, flexibase
2.96,6.52,-62.2,2,8,-1, 396.452, 5
mid: mol2, SDF, SMILES, flexibase
2.96,6.82,-20.12,3,8,0, 397.46, 5

Similar to: 3195035,
815686
 
#31

eMolecules: 597990
Scientific Exchange (make on demand): Z-049902
AKOS: AKOS000497190
Aldrich CPR: T109525|ALDRICH
Alinda: IBS-L0050914...28 total

ref: mol2, SDF, SMILES, flexibase
2.85,4.83,-12.81,2,4,0, 253.714, 2
461552
 
#32

eMolecules: 1511791
Molport: MolPort-001-500-147
Scientific Exchange (make on demand): T-084341
AKOS: AKOS000497189
Alinda: IVK/8052248...25 total

ref: mol2, SDF, SMILES, flexibase
4.11,8.54,-10.01,1,3,0, 258.365, 1

Similar to: 30982577, 42164798, 42164799,
778834
 
#33

eMolecules: 1442846
Molport: MolPort-001-633-465
Scientific Exchange (make on demand): H-042660
AKOS: AKOS000497205
Alinda: IBS-L0050912...24 total

ref: mol2, SDF, SMILES, flexibase
3.38,7.77,-15.05,1,5,0, 372.49, 5
809976
 
#34

eMolecules: 1501588
Molport: MolPort-001-572-084
Scientific Exchange (make on demand): M-169072
AKOS: AKOS000497197
Alinda: IBS-L0050911...21 total

ref: mol2, SDF, SMILES, flexibase
3.22,8.43,-8.83,0,4,0, 258.321, 3

Similar to: 34674787,
633169
 
#35

eMolecules: 1066048
Molport: MolPort-001-541-067
Scientific Exchange (make on demand): Q-056967
AKOS: AKOS000497196
Alinda: IBS-L0050910...26 total

ref: mol2, SDF, SMILES, flexibase
3.13,-3.58,-16.86,3,5,0, 364.854, 5

Similar to: 2761810, 12765184,
392867
 
#36

eMolecules: 1067523
Molport: MolPort-001-505-434
Scientific Exchange: K-000070
AKOS: AKOS000497195
Aldrich CPR: S279889|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
3.52,-0.39,-7.94,1,3,0, 252.745, 1
515255
 
#37

eMolecules: 2769851
Molport: MolPort-001-512-049
Scientific Exchange (make on demand): K-085570
AKOS: AKOS000497188
Alinda: IBS-L0050908...18 total

ref: mol2, SDF, SMILES, flexibase
2.05,0.74,-11.18,1,5,0, 271.32, 4
46844
 
#38

eMolecules: 1557075
Scientific Exchange (make on demand): R-052040
AKOS: AKOS000497187
Alinda: IBS-L0050907
Aronis: a08119...34 total

ref: mol2, SDF, SMILES, flexibase
3.14,-3.4,-11.5,3,4,0, 328.437, 5

Similar to: 1285094, 1285098, 6337952, 11990510, ... 4 in total.
276262
 
#39

eMolecules: 1018018
Molport: MolPort-001-501-811
Scientific Exchange (make on demand): T-089546
AKOS: AKOS000496743
Aldrich CPR: S281581|ALDRICH...26 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.87,-8.77,1,3,0, 224.691, 1

Similar to: 2161958, 36462680,
282963
 
#40

eMolecules: 1308751
Scientific Exchange (make on demand): X-062660
AKOS: AKOS000496742
Alinda: IVK/8076521
Aronis: a08117...23 total

ref: mol2, SDF, SMILES, flexibase
2.93,7.17,-8.83,0,3,0, 234.686, 1
814483
 
#41

eMolecules: 1511797
Molport: MolPort-001-541-589
Scientific Exchange: Q-059697
AKOS: AKOS000496741
Alinda: IVK/8186546...23 total

ref: mol2, SDF, SMILES, flexibase
3.17,-7.95,-17.67,3,7,0, 380.495, 5
hi: mol2, SDF, SMILES, flexibase
3.17,-7.4,-47.74,2,7,-1, 379.487, 5

Similar to: 3356952, 6623362, 39972739, 39972740, 39974114, ... 6 in total.
448443
 
#42

eMolecules: 1365177
Molport: MolPort-001-495-552
Scientific Exchange (make on demand): T-001629
AKOS: AKOS000496736
Alinda: IBS-L0050903...22 total

ref: mol2, SDF, SMILES, flexibase
2.36,6.37,-13.92,1,5,0, 271.32, 3
806703
 
#43

eMolecules: 1493525
Scientific Exchange (make on demand): M-120158
AKOS: AKOS000496735
Alinda: IBS-L0050902
Aronis: a08114...23 total

ref: mol2, SDF, SMILES, flexibase
3.67,-5.13,-20.3,2,7,0, 437.93, 7
hi: mol2, SDF, SMILES, flexibase
3.67,-4.57,-50.05,1,7,-1, 436.922, 7
815687
 
#44

eMolecules: 1515052
Scientific Exchange (make on demand): M-273455
AKOS: AKOS000496730
Alinda: IBS-L0050901
Aronis: a08113...24 total

ref: mol2, SDF, SMILES, flexibase
3.39,4.96,-57.75,2,8,-1, 405.843, 5
lo: mol2, SDF, SMILES, flexibase
3.39,4.96,-20.29,3,8,0, 406.851, 5
813051
 
#45

eMolecules: 1374718
Molport: MolPort-001-495-528
Scientific Exchange: T-001592
AKOS: AKOS000496721
Alinda: IBS-L0050900...22 total

ref: mol2, SDF, SMILES, flexibase
2.21,6.91,-16.28,1,7,0, 388.445, 7
8722825
 
#46

eMolecules: 26566103
Molport: MolPort-001-617-692
Scientific Exchange (make on demand): M-901582
AKOS: AKOS000496751
Alinda: IBS-L0050899...19 total

ref: mol2, SDF, SMILES, flexibase
5.20,4,-7.56,0,4,0, 352.43, 12

Similar to: 38236178, 38236180, 58798664, 71341696, ... 4 in total.
1236598
 
#47

ChemMol: 80100170, 2200156
eMolecules: 3763723
Molport: MolPort-000-900-691
Scientific Exchange (make on demand): M-901581
AK Scientific: 4702AE...25 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.54,-10.67,3,3,0, 229.077, 1

Similar to: 2580656,
1236204
 
#48

eMolecules: 3763721
Molport: MolPort-001-584-859
Scientific Exchange: M-316009
AKOS: AKOS000496750
Alinda: IBS-L0050897...18 total

ref: mol2, SDF, SMILES, flexibase
3.60,7.16,-11.09,2,4,0, 288.391, 5

Similar to: 14424025, 14424075, 23654688, 24195345, ... 4 in total.
4387213
 
#49

eMolecules: 207125697
Scientific Exchange (make on demand): K-094043
AKOS: AKOS000496745
Aldrich CPR: R899909|ALDRICH
Alinda: IBS-L0050896...17 total

ref: mol2, SDF, SMILES, flexibase
5.44,10.02,-15.63,1,5,0, 345.402, 6

Similar to: 6274780, 33588039,
778818
 
#50

eMolecules: 1442748
Molport: MolPort-001-031-756
Scientific Exchange (make on demand): X-064637
AKOS: AKOS000496711
Alinda: IVK/6224414...22 total

ref: mol2, SDF, SMILES, flexibase
3.21,-3.04,-16.54,3,5,0, 373.261, 5
150506
 
#51

eMolecules: 1423906
Scientific Exchange (make on demand): K-039602
AKOS: AKOS000496710
Alinda: IBS-L0050892
Aronis: a08102...21 total

ref: mol2, SDF, SMILES, flexibase
4.37,0.59,-13.77,1,3,0, 312.781, 2

Similar to: 7956039, 16502838, 39643561, 39644415, ... 4 in total.
810543
 
#52

eMolecules: 1503251
Scientific Exchange (make on demand): M-169854
AKOS: AKOS000496709
Alinda: IBS-L0050891
Aronis: a08101...23 total

ref: mol2, SDF, SMILES, flexibase
2.78,-4.75,-19.62,1,7,0, 404.488, 6

Similar to: 7263387, 14351239, 14360996, 21678035, 39891397, ... 5 in total.
89034
 
#53

eMolecules: 1407593
Molport: MolPort-001-487-103
Scientific Exchange (make on demand): X-085831
AKOS: AKOS000496708
Alinda: IBS-L0050890...22 total

ref: mol2, SDF, SMILES, flexibase
4.09,1.5,-10.08,0,3,0, 301.773, 3
778819
 
#54

eMolecules: 1442750
Molport: MolPort-001-503-632
Scientific Exchange (make on demand): T-095074
AKOS: AKOS000496707
Alinda: IVK/8094615...19 total

ref: mol2, SDF, SMILES, flexibase
3.77,-4.03,-12.61,3,4,0, 364.879, 3
938240
 
#55

eMolecules: 2492345
Scientific Exchange (make on demand): M-369770
AKOS: AKOS000496787
Alinda: IBS-L0050888
Aronis: a08098...21 total

ref: mol2, SDF, SMILES, flexibase
3.50,7.84,-20.89,2,6,0, 437.612, 7
hi: mol2, SDF, SMILES, flexibase
4.18,7.42,-49.42,1,6,-1, 436.604, 6

Similar to: 39974310, 39974311, 39974312,
818587
 
#56

eMolecules: 1518574
Molport: MolPort-001-626-843
Scientific Exchange (make on demand): M-316016
AKOS: AKOS000496780
Alinda: IBS-L0050887...21 total

ref: mol2, SDF, SMILES, flexibase
4.07,-1.59,-10.56,2,5,0, 391.265, 4

Similar to: 14424048,
2551602
 
#57

eMolecules: 3763717
Molport: MolPort-001-557-738
Scientific Exchange (make on demand): M-077491
AKOS: AKOS000496779
Alinda: IBS-C0005338...15 total

ref: mol2, SDF, SMILES, flexibase
2.91,-4.19,-26.43,3,6,0, 421.26, 7
496624
 
#58

eMolecules: 26566101
Scientific Exchange (make on demand): T-095235
TCM Database @ Taiwan: 44232
AKOS: AKOS000496772
Alinda: IBS-L0050885...21 total

ref: mol2, SDF, SMILES, flexibase
3.22,0.32,-13.49,1,4,0, 311.381, 7

Similar to: 15690425, 38585303, 38607154,
516375
 
#59

eMolecules: 3763713
Molport: MolPort-001-494-434
Scientific Exchange: R-077653
AKOS: AKOS000496771
Alinda: IBS-L0050884...21 total

ref: mol2, SDF, SMILES, flexibase
2.44,-1.63,-16.54,3,5,0, 298.342, 5

Similar to: 7263433, 28419,
1121361
 
#60

eMolecules: 2243413
Molport: MolPort-001-572-260
Scientific Exchange (make on demand): M-170495
AKOS: AKOS000496777
Alinda: IBS-L0050883...18 total

ref: mol2, SDF, SMILES, flexibase
4.56,8.96,-22.62,2,6,0, 424.522, 8
hi: mol2, SDF, SMILES, flexibase
4.56,9.03,-55.45,1,6,-1, 423.514, 8

Similar to: 26503477,
1236191
 
#61

eMolecules: 2030519
Molport: MolPort-001-580-462
Scientific Exchange (make on demand): M-235466
AKOS: AKOS000496770
Alinda: IBS-L0050882...20 total

ref: mol2, SDF, SMILES, flexibase
4.16,8.96,-19.15,3,6,0, 367.449, 6

Similar to: 42845253, 42962465,
1236597
 
#62

eMolecules: 2238681
Molport: MolPort-001-572-239
Scientific Exchange (make on demand): M-170419
AKOS: AKOS000496769
Alinda: IBS-L0050881...20 total

ref: mol2, SDF, SMILES, flexibase
4.36,-4.9,-16.64,2,5,0, 431.311, 5
hi: mol2, SDF, SMILES, flexibase
4.36,-4.32,-52.52,1,5,-1, 430.303, 5

Similar to: 21305620,
2551800
 
#63

eMolecules: 3763711
Molport: MolPort-001-577-807
Scientific Exchange (make on demand): M-204439
AKOS: AKOS000496761
Alinda: IBS-L0050880...15 total

ref: mol2, SDF, SMILES, flexibase
4.91,-3.85,-29.49,3,6,0, 456.406, 8

Similar to: 12403541,
2551728
 
#64

eMolecules: 3763709
Molport: MolPort-001-572-206
Scientific Exchange (make on demand): M-170225
AKOS: AKOS000496760
Alinda: IBS-L0050878...15 total

ref: mol2, SDF, SMILES, flexibase
4.84,-2.01,-17.15,2,6,0, 469.335, 8
2551952
 
#65

eMolecules: 3763707
Molport: MolPort-001-580-348
Scientific Exchange (make on demand): M-235126
AKOS: AKOS000496768
Alinda: IBS-L0050877...16 total

ref: mol2, SDF, SMILES, flexibase
4.15,0.61,-18.63,2,6,0, 404.513, 8

Similar to: 17091495, 17098972,
12289811
 
#66

eMolecules: 2476138
Molport: MolPort-001-580-364
Scientific Exchange (make on demand): M-235220
AKOS: AKOS000496767
Alinda: IBS-L0050876...18 total

ref: mol2, SDF, SMILES, flexibase
4.14,-3.86,-26.56,4,8,0, 454.552, 8
2133521
 
#67

eMolecules: 1171356
Molport: MolPort-001-485-702
Scientific Exchange: X-070156
AKOS: AKOS000496759
Alinda: IVK/8134242...21 total

ref: mol2, SDF, SMILES, flexibase
2.60,-3.75,-9.63,0,2,0, 420.057, 6

Similar to: 36721448, 42453798,
493245
 
#68

eMolecules: 3763705
Molport: MolPort-001-488-901
Scientific Exchange (make on demand): X-097223
AKOS: AKOS000496758
Alinda: IBS-L0050874...18 total

ref: mol2, SDF, SMILES, flexibase
3.13,1.11,-6.95,0,2,0, 231.339, 3

Similar to: 32100564, 32112525, 32122612,
2173729
 
#69

eMolecules: 3763703
Molport: MolPort-001-505-597
Scientific Exchange (make on demand): K-000679
AKOS: AKOS000496692
Aldrich CPR: S849472|ALDRICH...18 total

ref: mol2, SDF, SMILES, flexibase
1.37,-0.8,-12.25,0,4,0, 252.358, 5

Similar to: 34372289, 34536774, 1690171,
613060
 
#70

eMolecules: 2247183
Molport: MolPort-001-580-312
Scientific Exchange (make on demand): M-235037
AKOS: AKOS000496765
Alinda: IBS-L0050871...22 total

ref: mol2, SDF, SMILES, flexibase
2.85,1.52,-17.36,1,5,0, 298.342, 4

Similar to: 2737610, 361973,
2551802
 
#71

eMolecules: 2245832
Molport: MolPort-001-577-813
Scientific Exchange (make on demand): M-204477
AKOS: AKOS000496764
Alinda: IBS-L0050870...19 total

ref: mol2, SDF, SMILES, flexibase
2.60,1,-15.66,0,6,0, 320.389, 6

Similar to: 6594933, 31675625, 45670064,
1127729
 
#72

eMolecules: 2227240
Molport: MolPort-001-557-317
Scientific Exchange (make on demand): M-070081
AKOS: AKOS000496757
Alinda: IBS-L0050869...18 total

ref: mol2, SDF, SMILES, flexibase
4.51,-1.98,-18.79,3,5,0, 444.343, 6
2551575
 
#73

eMolecules: 3763701
Molport: MolPort-001-625-151
Scientific Exchange (make on demand): M-074511
AKOS: AKOS000496756
Alinda: IBS-L0050868...18 total

ref: mol2, SDF, SMILES, flexibase
3.23,-4.8,-31.54,3,8,0, 480.571, 8
937832
 
#74

eMolecules: 26457777
Scientific Exchange (make on demand): M-073222
AKOS: AKOS000496862
Alinda: IBS-L0050867
Aronis: a08077...18 total

ref: mol2, SDF, SMILES, flexibase
3.69,-4.81,-24.8,3,7,0, 455.561, 8
2551766
 
#75

eMolecules: 3763697
Molport: MolPort-001-634-557
Scientific Exchange (make on demand): M-071993
AKOS: AKOS000496861
Alinda: IBS-L0050866...15 total

ref: mol2, SDF, SMILES, flexibase
1.61,-4.09,-29.96,3,11,0, 506.562, 10
2551740
 
#76

eMolecules: 3763695
Molport: MolPort-001-557-304
Scientific Exchange (make on demand): M-069962
AKOS: AKOS000496856
Alinda: IBS-L0050865...18 total

ref: mol2, SDF, SMILES, flexibase
2.12,9.61,-82.35,2,11,-1, 485.527, 8
2551746
 
#77

eMolecules: 3763693
Molport: MolPort-001-625-124
Scientific Exchange (make on demand): M-069983
AKOS: AKOS000496883
Alinda: IBS-L0050864...17 total

ref: mol2, SDF, SMILES, flexibase
2.11,6.93,-72.94,2,10,-1, 462.514, 8
2551773
 
#78

eMolecules: 26457775
Molport: MolPort-002-791-531
Scientific Exchange: POD_76/0169
AKOS: AKOS000497014
Alinda: IBS-L0050862...18 total

ref: mol2, SDF, SMILES, flexibase
1.70,-4.34,-27.11,3,9,0, 432.483, 8
12289700
 
#79

eMolecules: 3763689
Molport: MolPort-001-557-517
Scientific Exchange (make on demand): M-072303
AKOS: AKOS000496949
Alinda: IBS-L0050861...16 total

ref: mol2, SDF, SMILES, flexibase
0.88,-8.32,-26.84,3,12,0, 497.555, 13
2551580
 
#80

eMolecules: 3763687
Molport: MolPort-001-557-695
Scientific Exchange (make on demand): M-075209
AKOS: AKOS000496948
Alinda: IBS-L0050860...15 total

ref: mol2, SDF, SMILES, flexibase
1.57,-3.36,-25.18,3,8,0, 465.269, 9
2551596
 
#81

eMolecules: 3763681
Molport: MolPort-001-557-734
Scientific Exchange (make on demand): M-076953
AKOS: AKOS000497141
Alinda: IBS-L0050857...15 total

ref: mol2, SDF, SMILES, flexibase
3.27,-4.29,-28.88,3,6,0, 469.304, 7

Similar to: 12502963,
2551647
 
#82

eMolecules: 26566099
Molport: MolPort-001-557-773
Scientific Exchange (make on demand): M-080153
AKOS: AKOS000497140
Alinda: IBS-L0050856...16 total

ref: mol2, SDF, SMILES, flexibase
4.21,-2.91,-31.63,4,7,0, 476.533, 8
9850499
 
#83

eMolecules: 26566097
Molport: MolPort-001-557-770
Scientific Exchange (make on demand): M-080146
AKOS: AKOS000497134
Alinda: IBS-L0050854...16 total

ref: mol2, SDF, SMILES, flexibase
2.25,-4.86,-24.94,4,7,0, 428.489, 10
1298564
 
#84

eMolecules: 3763673
Molport: MolPort-001-557-456
Scientific Exchange (make on demand): M-071227
AKOS: AKOS000497113
Alinda: IBS-L0050853...18 total

ref: mol2, SDF, SMILES, flexibase
4.32,-1.34,-24.58,1,4,0, 438.29, 4
1298499
 
#85

eMolecules: 3763671
Molport: MolPort-001-557-682
Scientific Exchange: M-074693
AKOS: AKOS000497112
Alinda: IBS-L0050852...18 total

ref: mol2, SDF, SMILES, flexibase
3.16,-4.3,-14.92,2,4,0, 404.273, 5

Similar to: 1298500,
1298500
 
#86

eMolecules: 3763671
Molport: MolPort-001-557-682
Scientific Exchange: M-074693
AKOS: AKOS000497112
Alinda: IBS-L0050852...18 total

ref: mol2, SDF, SMILES, flexibase
3.16,-4.36,-15.24,2,4,0, 404.273, 5

Similar to: 1298499,
2551623
 
#87

eMolecules: 3763669
Molport: MolPort-001-557-763
Scientific Exchange (make on demand): M-080054
AKOS: AKOS000497143
Alinda: IBS-C0005337...15 total

ref: mol2, SDF, SMILES, flexibase
2.79,-4.96,-26.2,4,7,0, 496.33, 6
2551656
 
#88

eMolecules: 26566095
Molport: MolPort-001-557-774
Scientific Exchange (make on demand): M-080170
AKOS: AKOS000497142
Alinda: IBS-L0050850...16 total

ref: mol2, SDF, SMILES, flexibase
2.97,-3.78,-31.63,4,7,0, 426.473, 8
2551639
 
#89

eMolecules: 26566093
Molport: MolPort-001-557-771
Scientific Exchange (make on demand): M-080148
AKOS: AKOS000497102
Alinda: IBS-L0050849...16 total

ref: mol2, SDF, SMILES, flexibase
4.23,-2.87,-32.89,4,7,0, 476.533, 8

Similar to: 33744625,
1298620
 
#90

eMolecules: 2247585
Molport: MolPort-001-577-808
Scientific Exchange (make on demand): M-204463
AKOS: AKOS000497101
Alinda: IBS-C0007120...20 total

ref: mol2, SDF, SMILES, flexibase
2.31,-0.51,-13.28,0,6,0, 418.231, 4
2589895
 
#91

ChemMol: 2200052, 80100052
eMolecules: 828850
Scientific Exchange (make on demand): M-621245
AK Scientific: 6110AE
AKOS: AKOS000140836...50 total

ref: mol2, SDF, SMILES, flexibase
0.96,0.16,-9.39,3,4,0, 214.29, 4

Similar to: 36746735,
106731
 
#92

ChemMol: 2200051, 80100051
eMolecules: 46473695, 1400088
Molport: MolPort-000-900-628
Scientific Exchange (make on demand): M-619124, Q-004138
AK Scientific: 4972AE...70 total

ref: mol2, SDF, SMILES, flexibase
0.74,3.71,-7.92,2,3,0, 190.246, 1

Similar to: 36882790, 37094300, 37097712, 37839624, 37839716, ... 9 in total.
134248
 
#93

ChemMol: 2200053, 80100053
eMolecules: 32355821, 2873370
Scientific Exchange: M-317600, Z-099964
AK Scientific: 2452AE
AKOS: AKOS000111605...78 total

ref: mol2, SDF, SMILES, flexibase
0.19,2.09,-7.44,2,4,0, 206.245, 1

Similar to: 36882795, 41663447,
2552034
 
#94

ChemMol: 80100050, 2200050
eMolecules: 2861651, 215704301
Molport: MolPort-000-900-627
Scientific Exchange (make on demand): M-621241
AK Scientific: 4253AE...42 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.38,-6.43,3,3,0, 176.219, 3
mid: mol2, SDF, SMILES, flexibase
1.28,0.67,-4.55,4,3,0, 177.227, 3
1236188
 
#95

eMolecules: 2247813
Molport: MolPort-001-580-382
Scientific Exchange (make on demand): M-235295
AKOS: AKOS000497203
Alinda: IBS-L0050839...20 total

ref: mol2, SDF, SMILES, flexibase
5.27,-0.08,-6.94,1,2,0, 359.05, 2

Similar to: 36983084,
612541
 
#96

eMolecules: 2246044
Molport: MolPort-001-580-451
Scientific Exchange (make on demand): M-235436
AKOS: AKOS000497202
Alinda: IBS-L0050838...21 total

ref: mol2, SDF, SMILES, flexibase
5.34,7.87,-12.68,3,4,0, 309.413, 4

Similar to: 30996041,
2552030
 
#97

eMolecules: 2474818
Molport: MolPort-001-577-842
Scientific Exchange (make on demand): M-204610
AKOS: AKOS000497194
Alinda: IBS-L0050837...17 total

ref: mol2, SDF, SMILES, flexibase
4.07,-2.03,-11.14,2,5,0, 405.292, 7
1123456
 
#98

eMolecules: 2030977
Molport: MolPort-001-580-464
Scientific Exchange (make on demand): M-235477
AKOS: AKOS000497193
Alinda: IBS-C0007118...18 total

ref: mol2, SDF, SMILES, flexibase
3.92,8.61,-13.75,3,5,0, 351.45, 5
1298607
 
#99

eMolecules: 2247520
Molport: MolPort-001-577-440
Scientific Exchange (make on demand): M-194905
AKOS: AKOS000497186
Alinda: IBS-L0050835...22 total

ref: mol2, SDF, SMILES, flexibase
2.74,-3.53,-21.37,1,6,0, 368.842, 6

Similar to: 6918382,
1236184
 
#100

eMolecules: 3763663
Molport: MolPort-001-580-328
Scientific Exchange (make on demand): M-235067
AKOS: AKOS000497200
Alinda: IBS-L0050834...17 total

ref: mol2, SDF, SMILES, flexibase
4.37,9.28,-20.58,2,6,0, 429.27, 6

Similar to: 15507448,

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 = 78 ) limit 0,100

Smiles were