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33381903
 
#1

eMolecules: 26481722
Molport: MolPort-002-898-077
American Custom Chemicals Corp.: HCH0114007
Maybridge: DSHS00446
Maybridge Hit Finder: DSHS00446...7 total

ref: mol2, SDF, SMILES, flexibase
5.89,11.08,-24.86,0,4,0, 426.969, 3
lo: mol2, SDF, SMILES, flexibase
2.58,11.51,-28.08,1,4,1, 427.977, 4
33381589
 
#2

Molport: MolPort-002-896-650
Maybridge Hit Finder: CD09750
lo: mol2, SDF, SMILES, flexibase
-0.71,11.3,-30.62,1,4,1, 291.325, 4
37866838
 
#3

Molport: MolPort-002-913-431
Maybridge: RF02010
Maybridge Hit Finder: RF02010
PubChem: 51890802
ref: mol2, SDF, SMILES, flexibase
1.70,10.47,-28.63,1,4,1, 359.858, 4
69280
 
#4

eMolecules: 5780450
Molport: MolPort-002-911-668
Maybridge: PD00301
Maybridge Hit Finder: PD00301
ref: mol2, SDF, SMILES, flexibase
1.52,5.79,-10.78,0,5,0, 193.158, 1
5981431
 
#5

Maybridge Hit Finder: KM04647
lo: mol2, SDF, SMILES, flexibase
2.51,4.26,-13.59,1,7,0, 414.361, 4
18144709
 
#6

Molport: MolPort-002-896-756
Maybridge: CD10082
Maybridge Hit Finder: CD10082
ChEMBL12: CHEMBL1536495
Collaborative Drug Discovery: 193283...5 total

mid: mol2, SDF, SMILES, flexibase
1.85,2.1,-11.42,2,5,0, 230.271, 3
13657989
 
#7

eMolecules: 26485391
Molport: MolPort-002-895-927
Maybridge: CD06918
Maybridge Hit Finder: CD06918
ChEMBL12: CHEMBL1354053...7 total

mid: mol2, SDF, SMILES, flexibase
2.59,4.66,-40.49,1,4,-1, 252.677, 4
mid: mol2, SDF, SMILES, flexibase
2.59,5.76,-45.3,1,4,-1, 252.677, 4
mid: mol2, SDF, SMILES, flexibase
2.59,4.75,-35.23,1,4,-1, 252.677, 4
mid: mol2, SDF, SMILES, flexibase
2.59,5.4,-47.82,1,4,-1, 252.677, 4
33381290
 
#8

eMolecules: 207081984
Molport: MolPort-002-893-149
Aldrich CPR: L169382|ALDRICH
Fluorochem: 371726
Maybridge: BTB10069...14 total

ref: mol2, SDF, SMILES, flexibase
0.30,5.82,-47.79,0,5,-1, 222.22, 3
mid: mol2, SDF, SMILES, flexibase
0.50,6.09,-51.61,0,5,-1, 222.22, 3
lo: mol2, SDF, SMILES, flexibase
0.30,4.8,-25.63,1,5,0, 223.228, 3
50888655
 
#9

eMolecules: 5795520
Molport: MolPort-002-927-253
Maybridge: XBX00010
Maybridge Hit Finder: XBX00010
ref: mol2, SDF, SMILES, flexibase
3.12,8.44,-9.3,0,4,0, 333.435, 3
mid: mol2, SDF, SMILES, flexibase
3.12,10.57,-56.17,1,4,1, 334.443, 3
50888653
 
#10

eMolecules: 5795520
Molport: MolPort-002-927-253
Maybridge: XBX00010
Maybridge Hit Finder: XBX00010
ref: mol2, SDF, SMILES, flexibase
3.12,8.4,-9.17,0,4,0, 333.435, 3
mid: mol2, SDF, SMILES, flexibase
3.12,10.56,-56.19,1,4,1, 334.443, 3
13656642
 
#11

eMolecules: 5796216
Molport: MolPort-002-927-095
Maybridge: SW00013
Maybridge Hit Finder: SW00013
ChEMBL12: CHEMBL1508673...7 total

ref: mol2, SDF, SMILES, flexibase
3.69,8.76,-13.64,2,3,0, 305.834, 5
lo: mol2, SDF, SMILES, flexibase
3.01,8.28,-13.44,2,3,0, 305.834, 6
lo: mol2, SDF, SMILES, flexibase
3.01,8.64,-40.51,3,3,1, 306.842, 6
128090
 
#12

eMolecules: 918723
Chembo Pharma: KB-73012
FineTech: FT-0619615
Maybridge: SPB07980
Maybridge Building Blocks: SPB07980...9 total

ref: mol2, SDF, SMILES, flexibase
3.68,10.03,-15.05,1,3,0, 302.23, 4
mid: mol2, SDF, SMILES, flexibase
4.40,9.87,-44.2,0,3,-1, 301.222, 4
4394846
 
#13

eMolecules: 5792880
Molport: MolPort-002-926-647
Maybridge: SPB07229
Maybridge Hit Finder: SPB07229
ref: mol2, SDF, SMILES, flexibase
2.80,7.8,-52.76,0,6,-1, 385.391, 5
mid: mol2, SDF, SMILES, flexibase
2.35,8.64,-16.44,1,6,0, 386.399, 5
20230391
 
#14

Molport: MolPort-002-926-615
Maybridge: SPB07164
Maybridge Hit Finder: SPB07164
PubChem: 3446753
ref: mol2, SDF, SMILES, flexibase
6.18,10.01,-8.93,2,6,0, 484.261, 8
mid: mol2, SDF, SMILES, flexibase
6.18,10.21,-43.26,1,6,-1, 483.253, 8
mid: mol2, SDF, SMILES, flexibase
6.18,10.36,-13.05,2,6,0, 484.261, 8
3129687
 
#15

Maybridge Hit Finder: SPB07027
ref: mol2, SDF, SMILES, flexibase
3.51,7.74,-45.38,4,5,1, 384.403, 8
mid: mol2, SDF, SMILES, flexibase
3.51,7.27,-15.34,3,5,0, 383.395, 8
15924040
 
#16

eMolecules: 5791596
Molport: MolPort-002-926-566
Maybridge: SPB07023
Maybridge Hit Finder: SPB07023
ChEMBL12: CHEMBL1472371...8 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.52,-13.33,2,5,0, 357.719, 6
mid: mol2, SDF, SMILES, flexibase
2.37,4.75,-43.7,3,5,1, 358.727, 5
hi: mol2, SDF, SMILES, flexibase
2.56,4.1,-40.54,1,5,-1, 356.711, 6

Similar to: 4394818,
4394815
 
#17

eMolecules: 5819246
Molport: MolPort-002-926-558
Maybridge: SPB07008
Maybridge Hit Finder: SPB07008
ref: mol2, SDF, SMILES, flexibase
4.55,7.29,-43.11,0,6,-1, 392.898, 4
mid: mol2, SDF, SMILES, flexibase
4.09,8.12,-12.04,1,6,0, 393.906, 4
4394810
 
#18

eMolecules: 5848644
Molport: MolPort-002-926-553
Maybridge: SPB06997
Maybridge Hit Finder: SPB06997
ChemDB: 4787092...8 total

ref: mol2, SDF, SMILES, flexibase
1.12,1.42,-7.72,3,4,0, 245.254, 4
mid: mol2, SDF, SMILES, flexibase
1.12,2.31,-34.52,4,4,1, 246.262, 4
mid: mol2, SDF, SMILES, flexibase
1.93,2.12,-10.94,3,4,0, 245.254, 4
13657250
 
#19

eMolecules: 26479413
Molport: MolPort-002-926-405
Maybridge: SPB06705
Maybridge Hit Finder: SPB06705
BindingDB.org: 54536...13 total

ref: mol2, SDF, SMILES, flexibase
4.14,12.77,-24.9,2,6,0, 449.816, 7
lo: mol2, SDF, SMILES, flexibase
4.27,12.64,-43.15,3,6,1, 450.824, 8
3046160
 
#20

eMolecules: 1068183
Molport: MolPort-001-820-509
Maybridge: SPB06363
Maybridge Hit Finder: SPB06363
ref: mol2, SDF, SMILES, flexibase
4.31,9.18,-9.11,1,7,0, 396.259, 5
mid: mol2, SDF, SMILES, flexibase
4.31,8.82,-42.35,0,7,-1, 395.251, 5
mid: mol2, SDF, SMILES, flexibase
4.31,8.8,-10.5,1,7,0, 396.259, 5
1035877
 
#21

eMolecules: 5793836
Molport: MolPort-002-926-180
Maybridge: SPB06210
Maybridge Hit Finder: SPB06210
ref: mol2, SDF, SMILES, flexibase
4.07,7.85,-49.82,0,5,-1, 385.778, 5
mid: mol2, SDF, SMILES, flexibase
3.61,8.69,-10.85,1,5,0, 386.786, 5
13469809
 
#22

eMolecules: 5793966
Molport: MolPort-002-926-155
Maybridge: SPB06146
Maybridge Hit Finder: SPB06146
ChemDB: 4786594...6 total

ref: mol2, SDF, SMILES, flexibase
5.89,10.94,-12.33,2,5,0, 383.879, 6
hi: mol2, SDF, SMILES, flexibase
6.34,8.65,-48.16,1,5,-1, 382.871, 6
13657231
 
#23

eMolecules: 26478883
Molport: MolPort-002-926-153
Maybridge: SPB06139
Maybridge Hit Finder: SPB06139
ChEMBL19: CHEMBL1897465...7 total

ref: mol2, SDF, SMILES, flexibase
2.64,9.12,-49.8,3,7,1, 438.304, 10
mid: mol2, SDF, SMILES, flexibase
2.51,9.23,-22.88,2,7,0, 437.296, 9
13469761
 
#24

eMolecules: 5795670
Molport: MolPort-002-925-924
Maybridge: SPB05562
Maybridge Hit Finder: SPB05562
ChEMBL19: CHEMBL2398449...5 total

ref: mol2, SDF, SMILES, flexibase
-0.01,2.22,-21.95,2,6,0, 230.227, 2
mid: mol2, SDF, SMILES, flexibase
0.45,1.34,-59.21,1,6,-1, 229.219, 2
15924070
 
#25

eMolecules: 727068
Chembo Pharma: KB-71945
Maybridge: SPB05134
Maybridge Building Blocks: SPB05134
Maybridge Hit Finder: SPB05134...15 total

ref: mol2, SDF, SMILES, flexibase
2.66,7.97,-27.72,1,4,0, 303.774, 2
mid: mol2, SDF, SMILES, flexibase
2.66,8.01,-18.95,1,4,0, 303.774, 2
13656734
 
#26

eMolecules: 726534
Aldrich CPR: PH009727|ALDRICH
BOC Sciences BB: 265125-69-7
Chembo Pharma: KB-73605
Maybridge: SPB04970...14 total

ref: mol2, SDF, SMILES, flexibase
2.30,5.75,-7.95,1,4,0, 225.251, 2
8700021
 
#27

eMolecules: 2795380
Molport: MolPort-002-925-523
Chembo Pharma: KB-196316
CiVentiChem: CV-2154
Fluorochem: 317647...8 total

ref: mol2, SDF, SMILES, flexibase
1.28,2.77,-7.11,1,3,0, 192.14, 1
mid: mol2, SDF, SMILES, flexibase
1.73,1.8,-36.83,0,3,-1, 191.132, 1
lo: mol2, SDF, SMILES, flexibase
1.28,2.18,-16.72,1,3,0, 192.14, 1
33365496
 
#28

Maybridge Hit Finder: SPB04594
ref: mol2, SDF, SMILES, flexibase
1.00,6.71,-15.58,0,5,0, 268.338, 6
33365494
 
#29

Maybridge Hit Finder: SPB04570
Individual Suppliers: 12901
ref: mol2, SDF, SMILES, flexibase
3.50,8.18,-8.67,0,4,0, 368.38, 5
1047976
 
#30

eMolecules: 5798517
Molport: MolPort-002-925-354
Maybridge: SPB04420
Maybridge Hit Finder: SPB04420
ref: mol2, SDF, SMILES, flexibase
6.42,11.82,-15.31,1,4,0, 460.399, 7
mid: mol2, SDF, SMILES, flexibase
6.88,10.94,-38.81,0,4,-1, 459.391, 7
mid: mol2, SDF, SMILES, flexibase
6.42,11.14,-18.57,1,4,0, 460.399, 7
25294
 
#31

eMolecules: 5849059
Molport: MolPort-002-924-959
Maybridge: SPB03576
Maybridge Hit Finder: SPB03576
Individual Suppliers: 25294...7 total

ref: mol2, SDF, SMILES, flexibase
0.96,1.86,-17.75,1,5,0, 235.648, 2

Similar to: 25299,
1047732
 
#32

Molport: MolPort-002-924-788
Maybridge: SPB03223
Maybridge Hit Finder: SPB03223
ref: mol2, SDF, SMILES, flexibase
4.46,8,-54.98,0,5,-1, 405.303, 5
mid: mol2, SDF, SMILES, flexibase
4.00,8.76,-13.94,1,5,0, 406.311, 5
121524
 
#33

eMolecules: 5797306
Molport: MolPort-002-924-566
Maybridge: SPB02824
Maybridge Hit Finder: SPB02824
ChemDB: 4784873...6 total

ref: mol2, SDF, SMILES, flexibase
0.99,7.8,-37.07,1,5,0, 300.318, 2
mid: mol2, SDF, SMILES, flexibase
1.72,7.07,-65.22,0,5,-1, 299.31, 2
1047497
 
#34

eMolecules: 5792674
Molport: MolPort-002-924-212
Maybridge: SPB02175
Maybridge Hit Finder: SPB02175
ref: mol2, SDF, SMILES, flexibase
1.79,4.52,-11.4,1,4,0, 280.3, 4
mid: mol2, SDF, SMILES, flexibase
1.79,4.36,-38.68,0,4,-1, 279.292, 4
lo: mol2, SDF, SMILES, flexibase
1.79,4.44,-7.93,1,4,0, 280.3, 4

Similar to: 42651104,
1047487
 
#35

eMolecules: 5792552
Molport: MolPort-002-924-194
Maybridge: SPB02146
Maybridge Hit Finder: SPB02146
ref: mol2, SDF, SMILES, flexibase
5.13,8.37,-60.29,0,7,-1, 449.312, 6
mid: mol2, SDF, SMILES, flexibase
4.67,9.16,-20.8,1,7,0, 450.32, 6

Similar to: 34377400,
15924134
 
#36

Maybridge Hit Finder: SPB01619
ChEMBL19: CHEMBL1585518
PubChem: 2743676, 5703894
ref: mol2, SDF, SMILES, flexibase
1.53,4.51,-19.82,2,8,0, 279.281, 4
lo: mol2, SDF, SMILES, flexibase
1.53,5.03,-50.68,3,8,1, 280.289, 4

Similar to: 15924136,
18105473
 
#37

eMolecules: 4762255, 3425159, 1099814
Molport: MolPort-005-861-485
Scientific Exchange (make on demand): M-175768, C-096442
AKOS: AKOS002239069
IBScreen: STOCK2S-06153...44 total

ref: mol2, SDF, SMILES, flexibase
0.28,0.46,-9.93,1,4,0, 157.198, 1
mid: mol2, SDF, SMILES, flexibase
0.74,-0.87,-40.34,0,4,-1, 156.19, 1

Similar to: 6382071, 7348475,
8973464
 
#38

eMolecules: 4424831
Molport: MolPort-002-560-804
AKOS: AKOS005527341
IBScreen: STOCK2S-14488
Maybridge: SPB01230...18 total

ref: mol2, SDF, SMILES, flexibase
3.65,5.29,-21.92,2,8,0, 321.362, 5

Similar to: 13114040,
115414
 
#39

eMolecules: 5794716
Molport: MolPort-002-923-526
Maybridge: SPB00548
Maybridge Hit Finder: SPB00548
ref: mol2, SDF, SMILES, flexibase
4.66,9.46,-49.28,0,4,-1, 330.82, 4
lo: mol2, SDF, SMILES, flexibase
4.21,10.3,-10.57,1,4,0, 331.828, 4
20224171
 
#40

eMolecules: 5793690
Molport: MolPort-002-923-446
Maybridge: SPB00364
Maybridge Hit Finder: SPB00364
PubChem: 10514942...5 total

ref: mol2, SDF, SMILES, flexibase
0.97,6.25,-38.99,1,7,-1, 251.218, 5
mid: mol2, SDF, SMILES, flexibase
1.16,4.98,-113.45,0,7,-2, 250.21, 5
113077
 
#41

eMolecules: 5829332
Molport: MolPort-002-922-638
Maybridge: SEW06633
Maybridge Hit Finder: SEW06633
ChemDB: 4782557...8 total

ref: mol2, SDF, SMILES, flexibase
4.98,9.95,-12.13,0,2,0, 326.839, 6
19924686
 
#42

eMolecules: 1110141
Molport: MolPort-001-840-997
Maybridge: SEW06596
Maybridge Hit Finder: SEW06596
ref: mol2, SDF, SMILES, flexibase
4.29,7.77,-27.01,1,7,0, 497.93, 6
mid: mol2, SDF, SMILES, flexibase
4.29,7.7,-41.03,2,7,1, 498.938, 6
mid: mol2, SDF, SMILES, flexibase
4.29,7.42,-14.73,1,7,0, 497.93, 6
hi: mol2, SDF, SMILES, flexibase
4.29,7.49,-41.93,0,7,-1, 496.922, 6

Similar to: 6102969,
33365306
 
#43

eMolecules: 26487252
Molport: MolPort-002-922-591
Maybridge: SEW06545
Maybridge Hit Finder: SEW06545
ref: mol2, SDF, SMILES, flexibase
3.84,12.39,-55.45,1,5,1, 444.58, 6
mid: mol2, SDF, SMILES, flexibase
3.84,10.07,-11.26,0,5,0, 443.572, 6

Similar to: 6143295, 6143296,
8566322
 
#44

eMolecules: 26484317
Molport: MolPort-002-922-471
Maybridge: SEW06354
Maybridge Hit Finder: SEW06354
BindingDB.org: 75858...8 total

ref: mol2, SDF, SMILES, flexibase
3.48,5.89,-12.46,3,6,0, 331.445, 7

Similar to: 34629333,
34629333
 
#45

Maybridge Hit Finder: SEW06354
ref: mol2, SDF, SMILES, flexibase
3.48,5.93,-12.02,3,6,0, 331.445, 7

Similar to: 8566322,
17730242
 
#46

eMolecules: 5848024
Molport: MolPort-002-922-119
Maybridge: SEW05636
Maybridge Hit Finder: SEW05636
ChemDB: 4781857...7 total

ref: mol2, SDF, SMILES, flexibase
-0.50,2.55,-15.13,0,5,0, 199.206, 6
mid: mol2, SDF, SMILES, flexibase
0.08,2.28,-39,0,5,-1, 198.198, 5
13469143
 
#47

eMolecules: 26478997
Molport: MolPort-002-921-986
Maybridge: SEW05333
Maybridge Hit Finder: SEW05333
MolMall (formerly Molecular Diversity Preservation International): 1214...13 total

ref: mol2, SDF, SMILES, flexibase
3.24,6.88,-5.67,1,2,0, 243.228, 4
59607822
 
#48

Maybridge Hit Finder: SEW04598
Individual Suppliers: 28488702
ref: mol2, SDF, SMILES, flexibase
3.17,8.4,-16.97,0,8,0, 456.491, 8
59607802
 
#49

Maybridge Hit Finder: SEW04075
ref: mol2, SDF, SMILES, flexibase
3.57,7.08,-20.66,0,6,0, 313.357, 4

Similar to: 19924614,
15924189
 
#50

eMolecules: 5790545
Molport: MolPort-002-921-193
Maybridge: SEW03488
Maybridge Hit Finder: SEW03488
ChEMBL12: CHEMBL1536998...10 total

ref: mol2, SDF, SMILES, flexibase
2.53,4,-7.81,1,5,0, 286.209, 4
6451531
 
#51

American Custom Chemicals Corp.: HCH0108628
Maybridge: SEW01817
Maybridge Hit Finder: SEW01817
ref: mol2, SDF, SMILES, flexibase
2.13,0.75,-9.86,0,3,0, 237.686, 1

Similar to: 33364923,
13468887
 
#52

eMolecules: 5784432
Molport: MolPort-002-920-083
Maybridge: SEW00402
Maybridge Hit Finder: SEW00402
PubChem: 2739065...6 total

ref: mol2, SDF, SMILES, flexibase
0.34,1.56,-12.75,1,5,0, 188.19, 1
mid: mol2, SDF, SMILES, flexibase
0.79,1.29,-44.01,0,5,-1, 187.182, 1
lo: mol2, SDF, SMILES, flexibase
0.34,1.99,-53.55,2,5,1, 189.198, 1

Similar to: 5888678,
13110635
 
#53

eMolecules: 5784484
Molport: MolPort-002-920-072
Maybridge: SEW00354
Maybridge Hit Finder: SEW00354
ChEMBL12: CHEMBL1461453...11 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.49,-19.14,3,6,0, 412.315, 6
mid: mol2, SDF, SMILES, flexibase
1.78,4.36,-38.61,4,6,1, 413.323, 6

Similar to: 8649571,
33364761
 
#54

Maybridge Hit Finder: SEW00324
PubChem: 2739049
ref: mol2, SDF, SMILES, flexibase
2.76,11.62,-6.77,1,4,0, 282.269, 4
59607568
 
#55

eMolecules: 5842521
Molport: MolPort-002-919-826
Maybridge: SCR01246
Maybridge Hit Finder: SCR01246
ChEMBL19: CHEMBL1900776...6 total

59607567
 
#56

eMolecules: 5842521
Molport: MolPort-002-919-826
Maybridge: SCR01246
Maybridge Hit Finder: SCR01246
ChEMBL19: CHEMBL1900776...6 total

59607566
 
#57

eMolecules: 5842521
Molport: MolPort-002-919-826
Maybridge: SCR01246
Maybridge Hit Finder: SCR01246
ChEMBL19: CHEMBL1900776...6 total

59607565
 
#58

eMolecules: 5842521
Molport: MolPort-002-919-826
Maybridge: SCR01246
Maybridge Hit Finder: SCR01246
ChEMBL19: CHEMBL1900776...6 total

19362118
 
#59

eMolecules: 916936
Apollo Scientific: PC10290
Chembo Pharma: KB-177909
KeyOrganics: 8P-908
Maybridge: SCR00712...7 total

ref: mol2, SDF, SMILES, flexibase
3.69,8.06,-37.41,2,3,1, 365.419, 6
mid: mol2, SDF, SMILES, flexibase
3.69,6.42,-5.3,1,3,0, 364.411, 6
mid: mol2, SDF, SMILES, flexibase
3.69,8.78,-41.85,2,3,1, 365.419, 6
19362120
 
#60

eMolecules: 916936
Apollo Scientific: PC10290
Chembo Pharma: KB-177909
KeyOrganics: 8P-908
Maybridge: SCR00712...7 total

ref: mol2, SDF, SMILES, flexibase
3.69,7.94,-38.03,2,3,1, 365.419, 6
mid: mol2, SDF, SMILES, flexibase
3.69,6.3,-5.81,1,3,0, 364.411, 6
mid: mol2, SDF, SMILES, flexibase
3.69,8.69,-40.58,2,3,1, 365.419, 6
19324607
 
#61

eMolecules: 5841784
Molport: MolPort-002-919-473
Maybridge: SCR00446
Maybridge Hit Finder: SCR00446
ref: mol2, SDF, SMILES, flexibase
5.10,12.1,-40.57,1,2,1, 385.503, 5
mid: mol2, SDF, SMILES, flexibase
5.10,9.78,-4.81,0,2,0, 384.495, 5
52541469
 
#62

eMolecules: 478526
Molport: MolPort-006-110-167, MolPort-001-742-600
TCM Database @ Taiwan: tcm03_000591, 30532
Acros Organics: 25013
AK Scientific: L984...98 total

54954624
 
#63

eMolecules: 3768028, 489403, 36372873
Molport: MolPort-002-919-239, MolPort-002-497-764, MolPort-004-879-350
Scientific Exchange (make on demand): M-971366
Acros Organics: 20543
AK Scientific: I499...72 total

54954623
 
#64

eMolecules: 3768028, 36372873
Molport: MolPort-004-879-350, MolPort-002-497-764
Scientific Exchange (make on demand): M-971366
American Custom Chemicals Corp.: AAA0004563, AAA0001147
Aronis: c01719...37 total

59607549
 
#65

eMolecules: 5789044
Molport: MolPort-002-919-210
Maybridge: S15482
Maybridge Hit Finder: S15482
ChEMBL12: CHEMBL1326778...7 total

5731554
 
#66

eMolecules: 5786996
Molport: MolPort-002-919-020
Maybridge: S14739
Maybridge Hit Finder: S14739
ref: mol2, SDF, SMILES, flexibase
2.74,2.96,-64.83,0,4,-1, 242.283, 2
mid: mol2, SDF, SMILES, flexibase
2.74,4.02,-25.65,1,4,0, 243.291, 2

Similar to: 35581565,
20223477
 
#67

eMolecules: 5784698
Molport: MolPort-002-918-491
Maybridge: S11825
Maybridge Hit Finder: S11825
ChemDB: 4777575...5 total

ref: mol2, SDF, SMILES, flexibase
1.66,6.54,-15.83,3,6,0, 242.666, 5
mid: mol2, SDF, SMILES, flexibase
1.66,6.65,-36.01,2,6,-1, 241.658, 5
mid: mol2, SDF, SMILES, flexibase
1.66,6.6,-38.1,2,6,-1, 241.658, 5
49942678
 
#68

Maybridge Hit Finder: S05997
Maybridge (Depleted): S05997
ref: mol2, SDF, SMILES, flexibase
4.68,9.15,-33.69,3,2,1, 291.827, 5
mid: mol2, SDF, SMILES, flexibase
4.55,9.2,-4.97,2,2,0, 290.819, 4
59607385
 
#69

Maybridge Hit Finder: S05717
ref: mol2, SDF, SMILES, flexibase
1.33,8.1,-106.25,2,8,-2, 358.35, 6
59607384
 
#70

Maybridge Hit Finder: S05717
ref: mol2, SDF, SMILES, flexibase
1.33,9.33,-143.73,2,8,-2, 358.35, 6
17744482
 
#71

eMolecules: 5839892
Molport: MolPort-002-917-248
AKOS: AKOS008017719
Maybridge Hit Finder: S03484
Mcule: MCULE-3284551473...14 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.99,-6.68,1,2,0, 220.341, 1
mid: mol2, SDF, SMILES, flexibase
3.19,6.92,-26.44,2,2,1, 221.349, 2
18152204
 
#72

eMolecules: 5785428
Molport: MolPort-002-916-755
Maybridge: RJF01584
Maybridge Hit Finder: RJF01584
ChemDB: 4775411...7 total

ref: mol2, SDF, SMILES, flexibase
4.96,9.64,-9.1,1,3,0, 318.417, 7

Similar to: 25502002, 25502055,
90234
 
#73

eMolecules: 5784948
Molport: MolPort-002-916-746
Maybridge: RJF01570
Maybridge Hit Finder: RJF01570
BindingDB.org: 71237...13 total

ref: mol2, SDF, SMILES, flexibase
2.50,1.5,-9.9,2,3,0, 206.22, 2
55202335
 
#74

eMolecules: 2022233
Molport: MolPort-002-212-921
Scientific Exchange (make on demand): Q-033563
BioBlocks: A2478/0105264
ChemBridge: 6633316...16 total

1044779
 
#75

eMolecules: 5788632
Molport: MolPort-002-916-605
Maybridge: RJF01162
Maybridge Hit Finder: RJF01162
ChEMBL12: CHEMBL1517611...7 total

mid: mol2, SDF, SMILES, flexibase
3.72,5.21,-43.95,0,6,-1, 358.395, 4
5176492
 
#76

eMolecules: 5788040
Molport: MolPort-002-916-505
Maybridge: RJF00896
Maybridge Hit Finder: RJF00896
ref: mol2, SDF, SMILES, flexibase
5.21,9.05,-17.18,1,4,0, 364.898, 7
mid: mol2, SDF, SMILES, flexibase
5.21,9.36,-17.5,1,4,0, 364.898, 7
hi: mol2, SDF, SMILES, flexibase
5.66,8.19,-44.89,0,4,-1, 363.89, 7
20459061
 
#77

eMolecules: 5787394
Molport: MolPort-002-916-462
Maybridge: RJF00729
Maybridge Hit Finder: RJF00729
ChemDB: 4775079...6 total

ref: mol2, SDF, SMILES, flexibase
0.28,4.69,-9.36,7,7,0, 249.303, 5
hi: mol2, SDF, SMILES, flexibase
-0.04,5.59,-35.87,5,7,-1, 248.295, 4

Similar to: 4336967,
13468278
 
#78

eMolecules: 5786612
Molport: MolPort-002-916-366
Maybridge: RJF00499
Maybridge Hit Finder: RJF00499
The Broad via PubChem: BRD-K89005860-001-01-5...5 total

ref: mol2, SDF, SMILES, flexibase
2.22,3.98,-10.95,1,5,0, 270.354, 6
mid: mol2, SDF, SMILES, flexibase
2.22,3.58,-17.96,1,5,0, 270.354, 6
hi: mol2, SDF, SMILES, flexibase
2.68,2.17,-46.76,0,5,-1, 269.346, 6
17747302
 
#79

eMolecules: 5785170
Molport: MolPort-002-916-196
Maybridge: RJF00108
Maybridge Hit Finder: RJF00108
ChEMBL12: CHEMBL1478191...10 total

ref: mol2, SDF, SMILES, flexibase
4.01,6.73,-10.3,1,3,0, 298.77, 3
55439862
 
#80

eMolecules: 762189
Molport: MolPort-001-943-257
Ark Pharm Building Blocks: AK146942
ChemBridge: 5660477
IBScreen: STOCK1S-87172...14 total

36022127
 
#81

eMolecules: 762189
Molport: MolPort-001-943-257
Ark Pharm Building Blocks: AK146942
ChemBridge: 5660477
IBScreen: STOCK1S-87172...14 total

ref: mol2, SDF, SMILES, flexibase
3.90,8.64,-48.11,2,4,1, 340.443, 4
mid: mol2, SDF, SMILES, flexibase
3.90,7.81,-7.37,1,4,0, 339.435, 4

Similar to: 3912977, 3912976,
55439861
 
#82

eMolecules: 762189
Molport: MolPort-001-943-257
Ark Pharm Building Blocks: AK146942
ChemBridge: 5660477
IBScreen: STOCK1S-87172...14 total

19168591
 
#83

Molport: MolPort-002-137-602
ChemBridge: 5226260
Maybridge: RJC02583
Maybridge Hit Finder: RJC02583
ref: mol2, SDF, SMILES, flexibase
3.19,5.6,-39.15,3,6,1, 381.341, 9
mid: mol2, SDF, SMILES, flexibase
3.19,3.13,-5.58,2,6,0, 380.333, 9
15987660
 
#84

eMolecules: 4373022
Molport: MolPort-002-538-548
AKOS: AKOS005623372
IBScreen: STOCK1S-06710
Maybridge: RJC00902...18 total

ref: mol2, SDF, SMILES, flexibase
2.53,3.87,-16.12,3,8,0, 335.323, 2
hi: mol2, SDF, SMILES, flexibase
2.98,2.17,-54.45,2,8,-1, 334.315, 2
hi: mol2, SDF, SMILES, flexibase
2.98,2.16,-59.94,2,8,-1, 334.315, 2
20458811
 
#85

eMolecules: 5849167
Molport: MolPort-002-915-333
Maybridge: RJC00513
Maybridge Hit Finder: RJC00513
ChemDB: 4773465...9 total

ref: mol2, SDF, SMILES, flexibase
1.33,6.66,-15.43,4,5,0, 249.343, 5

Similar to: 4336463, 15973671,
20458806
 
#86

eMolecules: 26475381
Molport: MolPort-002-915-262
Maybridge: RJC00284
Maybridge Hit Finder: RJC00284
PubChem: 5930560...6 total

ref: mol2, SDF, SMILES, flexibase
0.43,0.41,-40.94,1,6,-1, 229.237, 5
mid: mol2, SDF, SMILES, flexibase
0.61,2.47,-35.68,1,6,-1, 229.237, 4
mid: mol2, SDF, SMILES, flexibase
0.61,1.43,-12.23,2,6,0, 230.245, 4
hi: mol2, SDF, SMILES, flexibase
1.07,0.34,-42.76,1,6,-1, 229.237, 4
hi: mol2, SDF, SMILES, flexibase
1.07,0.42,-108.77,0,6,-2, 228.229, 4
59606999
 
#87

Maybridge Hit Finder: RJC00013
ref: mol2, SDF, SMILES, flexibase
-1.98,1.99,-68.72,6,7,0, 172.144, 4
hi: mol2, SDF, SMILES, flexibase
-1.98,1.95,-56.5,5,7,-1, 171.136, 4
3900830
 
#88

eMolecules: 2722795
Molport: MolPort-002-743-232
BioBlocks: A4070/0173400
BioBlocks BB: ZERO/008405
ChemDiv BuildingBlocks: BB54-2823...22 total

ref: mol2, SDF, SMILES, flexibase
-0.07,1.07,-36.27,0,7,-1, 184.131, 4
mid: mol2, SDF, SMILES, flexibase
-0.07,1.22,-10.3,1,7,0, 185.139, 4

Similar to: 5835759, 34611806,
39581741
 
#89

eMolecules: 1113526
Molport: MolPort-001-842-635
Maybridge: RH01561
Maybridge Hit Finder: RH01561
ref: mol2, SDF, SMILES, flexibase
2.30,7.09,-114.21,3,2,2, 224.392, 1
mid: mol2, SDF, SMILES, flexibase
2.30,5.76,-27.55,2,2,1, 223.384, 1
hi: mol2, SDF, SMILES, flexibase
2.30,6.06,-38.52,2,2,1, 223.384, 1

Similar to: 33804541, 31771808, 39581740, 19637019, 19637023, ... 9 in total.
39581740
 
#90

eMolecules: 1113526
Molport: MolPort-001-842-635
Maybridge: RH01561
Maybridge Hit Finder: RH01561
ref: mol2, SDF, SMILES, flexibase
2.30,6.85,-115.49,3,2,2, 224.392, 1
mid: mol2, SDF, SMILES, flexibase
2.30,5.59,-29.78,2,2,1, 223.384, 1
hi: mol2, SDF, SMILES, flexibase
2.30,5.67,-37.78,2,2,1, 223.384, 1

Similar to: 39581741, 33804541, 31771808, 19637019, 19637023, ... 13 in total.
19300651
 
#91

eMolecules: 26818183, 25839567
Molport: MolPort-002-132-025, MolPort-002-706-228
Aldrich CPR: PH003430|ALDRICH
American Custom Chemicals Corp.: CHM0007213, CHM0255107
Chembo Pharma: KB-162491...20 total

ref: mol2, SDF, SMILES, flexibase
1.46,5.31,-44.29,1,6,-1, 207.165, 4
mid: mol2, SDF, SMILES, flexibase
1.70,6,-59.82,0,6,-1, 207.165, 4
mid: mol2, SDF, SMILES, flexibase
1.70,5.7,-61.32,0,6,-1, 207.165, 4
lo: mol2, SDF, SMILES, flexibase
1.70,6.04,-50.28,1,6,0, 208.173, 4

Similar to: 4498763,
49942668
 
#92

eMolecules: 5779118
Molport: MolPort-002-914-401
Maybridge: RH00361
Maybridge Hit Finder: RH00361
hi: mol2, SDF, SMILES, flexibase
0.82,-0.69,-44.63,0,4,-1, 186.194, 0
hi: mol2, SDF, SMILES, flexibase
0.42,-0.66,-46.05,0,4,-1, 186.194, 0
49942667
 
#93

eMolecules: 5779118
Molport: MolPort-002-914-401
Maybridge: RH00361
Maybridge Hit Finder: RH00361
hi: mol2, SDF, SMILES, flexibase
0.82,-0.43,-47.62,0,4,-1, 186.194, 0
hi: mol2, SDF, SMILES, flexibase
0.42,-0.37,-47.95,0,4,-1, 186.194, 0
49942666
 
#94

eMolecules: 5779118
Molport: MolPort-002-914-401
Maybridge: RH00361
Maybridge Hit Finder: RH00361
hi: mol2, SDF, SMILES, flexibase
0.42,-0.45,-47.94,0,4,-1, 186.194, 0
hi: mol2, SDF, SMILES, flexibase
0.82,-0.47,-47.61,0,4,-1, 186.194, 0
49942665
 
#95

eMolecules: 5779118
Molport: MolPort-002-914-401
Maybridge: RH00361
Maybridge Hit Finder: RH00361
hi: mol2, SDF, SMILES, flexibase
0.82,-0.68,-44.52,0,4,-1, 186.194, 0
hi: mol2, SDF, SMILES, flexibase
0.42,-0.68,-45.85,0,4,-1, 186.194, 0
4335977
 
#96

ChemMol: 44000034, 97900291
eMolecules: 5778544, 594393
Molport: MolPort-002-914-349
Scientific Exchange (make on demand): T-013118
Active BioPharma: 565...79 total

ref: mol2, SDF, SMILES, flexibase
3.48,6.16,-10.65,1,3,0, 220.231, 0
mid: mol2, SDF, SMILES, flexibase
3.49,4.15,-24.93,1,3,0, 220.231, 0
mid: mol2, SDF, SMILES, flexibase
3.48,6.17,-10.96,1,3,0, 220.231, 0
2150856
 
#97

American Custom Chemicals Corp.: HCH0108626
Maybridge Hit Finder: RF05346
BindingDB.org: 46535
ChEMBL12: CHEMBL1482209
ChEMBL19: CHEMBL1482209...6 total

ref: mol2, SDF, SMILES, flexibase
3.08,6.28,-6.33,1,4,0, 294.152, 4

Similar to: 4335931, 20458691,
39337451
 
#98

eMolecules: 5782854
Molport: MolPort-002-914-194
Maybridge: RF05317
Maybridge Hit Finder: RF05317
mid: mol2, SDF, SMILES, flexibase
2.78,5.63,-15.97,3,5,0, 251.359, 5
17783650
 
#99

eMolecules: 5826089
Molport: MolPort-002-913-402
Maybridge: RF01842
Maybridge Hit Finder: RF01842
ref: mol2, SDF, SMILES, flexibase
4.53,8.3,-36.23,2,4,1, 319.171, 2
mid: mol2, SDF, SMILES, flexibase
4.99,6.56,-47.52,0,4,-1, 317.155, 2
lo: mol2, SDF, SMILES, flexibase
4.53,7.61,-22.63,1,4,0, 318.163, 2
5176292
 
#100

eMolecules: 5781328
Molport: MolPort-002-912-547
Maybridge: RDR01708
Maybridge Hit Finder: RDR01708
ref: mol2, SDF, SMILES, flexibase
3.93,8.75,-23.19,1,7,0, 367.386, 6
mid: mol2, SDF, SMILES, flexibase
4.39,7.9,-46.59,0,7,-1, 366.378, 6
lo: mol2, SDF, SMILES, flexibase
3.93,9.14,-19.21,1,7,0, 367.386, 6

Similar to: 5386439,

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 = 455 ) limit 0,100

Smiles were