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4353020
 
#1

Chembo Pharma: KB-244681
NCI Diversity 3: 479
ChEMBL12: CHEMBL1440511
ChEMBL19: CHEMBL1440511
ChemDB: 6419390...10 total

ref: mol2, SDF, SMILES, flexibase
1.15,-2.82,-9.7,2,5,0, 267.288, 3

Similar to: 37868648,
838233
 
#2

eMolecules: 1380024
Molport: MolPort-001-977-161
AKOS: AKOS000662996
Asinex: BAS02224742
Enamine: Z57101246...26 total

ref: mol2, SDF, SMILES, flexibase
1.47,7.21,-8.1,1,5,0, 239.282, 3

Similar to: 14279556, 38227769, 42678005,
13542620
 
#3

eMolecules: 2710596
Molport: MolPort-004-616-095
AKOS: AKOS001402629
Enamine: Z237578864
IBScreen NP: STOCK1N-73656...21 total

ref: mol2, SDF, SMILES, flexibase
0.66,4.11,-8.26,2,6,0, 215.216, 3
mid: mol2, SDF, SMILES, flexibase
0.39,3.4,-32.12,0,6,-1, 214.208, 3
lo: mol2, SDF, SMILES, flexibase
0.39,4.7,-53.89,2,6,1, 216.224, 3
3860920
 
#4

eMolecules: 478991
Molport: MolPort-001-557-937
Scientific Exchange (make on demand): M-089710
Acros Organics: 42095, 15146
AK Scientific: Z3749...70 total

ref: mol2, SDF, SMILES, flexibase
7.46,10.67,-11.92,2,4,0, 430.544, 4

Similar to: 34588119,
4403653
 
#5

Aldrich CPR: S963828|ALDRICH, S994065|ALDRICH
American Custom Chemicals Corp.: CRB0002841
BioSynth: W-203710
NCI Diversity 3: 2561
TimTec: ST50447405...20 total

ref: mol2, SDF, SMILES, flexibase
0.00,-1.75,-6.19,3,5,0, 240.255, 3

Similar to: 6096442, 12670933, 34428856, 34570732, 34590508, ... 17 in total.
12670933
 
#6

NCI Diversity 3: 2561
PubChem: 11564962
SureChEMBL: SCHEMBL3425828
ref: mol2, SDF, SMILES, flexibase
0.00,-1.23,-8.78,3,5,0, 240.255, 3

Similar to: 34428856, 34570732, 34590508, 34621070, 36373710, ... 15 in total.
4403652
 
#7

Aldrich CPR: S994065|ALDRICH
NCI Diversity 3: 2561
ChEMBL12: CHEMBL1710955
ChEMBL19: CHEMBL1710955
ChemDB: 6419406...15 total

ref: mol2, SDF, SMILES, flexibase
0.00,-1.65,-11.39,3,5,0, 240.255, 3

Similar to: 4403653, 6096442, 12670933, 34428856, 34570732, ... 17 in total.
3953805
 
#8

NCI Diversity 3: 2561
NCI Plated 2007: 400277, 170150, 2561
PubChem: 6713563
ref: mol2, SDF, SMILES, flexibase
0.00,-2.17,-8.1,3,5,0, 240.255, 3

Similar to: 4403650, 4403651, 4403652, 4403653, 6096442, ... 24 in total.
1641160
 
#9

NCI Diversity 3: 2805
NCI Plated 2007: 2805
BindingDB.org: 80025
ChEMBL12: CHEMBL1527565
ChEMBL19: CHEMBL1527565...11 total

ref: mol2, SDF, SMILES, flexibase
3.88,-1.48,-7.84,4,4,0, 246.262, 1

Similar to: 6091722, 34616224, 39119145,
1666568
 
#10

NCI Diversity 3: 3064
NCI Plated 2007: 36854, 3064
BindingDB.org: 66626
ChEMBL12: CHEMBL1367036
ChEMBL19: CHEMBL1367036...11 total

ref: mol2, SDF, SMILES, flexibase
1.66,4.51,-18.37,1,8,0, 328.328, 4

Similar to: 32249941, 32249944, 32266121, 32266782, 34639736, ... 6 in total.
8581317
 
#11

NCI Diversity 3: 3752
NCI Plated 2007: 3752, 74413
ChEMBL12: CHEMBL1358738
ChEMBL19: CHEMBL1358738
ChemDB: 6419420...10 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.56,-17.94,2,5,0, 304.371, 3
mid: mol2, SDF, SMILES, flexibase
3.04,2.94,-61.97,1,5,-1, 303.363, 2
22910859
 
#12

NCI Diversity 3: 3753
ChEMBL12: CHEMBL1527086
ChEMBL19: CHEMBL1527086
ChemDB: 6419421
Collaborative Drug Discovery: 192890...8 total

ref: mol2, SDF, SMILES, flexibase
2.76,2.76,-16.51,2,5,0, 304.371, 3
1673377
 
#13

eMolecules: 729483
Molport: MolPort-002-707-168
AKOS: AKOS005594298
BioBlocks: A2167/0091017
ChemDiv: 8010-1017...18 total

ref: mol2, SDF, SMILES, flexibase
0.07,6.73,-12.92,8,10,0, 296.298, 2
4015433
 
#14

eMolecules: 733228, 33567584
Molport: MolPort-001-889-888
Scientific Exchange (make on demand): X-048245
AKOS: AKOS000521040
Aldrich CPR: S439274|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
1.58,0.83,-16.73,3,5,0, 258.229, 0

Similar to: 4902078,
5493736
 
#15

NCI Diversity 3: 5476
ChEMBL12: CHEMBL1332765
ChEMBL19: CHEMBL1332765
ChemDB: 4950665
Collaborative Drug Discovery: 200225...7 total

ref: mol2, SDF, SMILES, flexibase
3.77,6.47,-9.75,1,4,0, 334.485, 2

Similar to: 34955521, 34955539, 34955541, 34955561, 34955580, ... 17 in total.
1686969
 
#16

NCI Diversity 3: 5476
NCI Plated 2007: 5476
ChEMBL12: CHEMBL1332765
ChEMBL19: CHEMBL1332765
ChemDB: 4950665...10 total

ref: mol2, SDF, SMILES, flexibase
3.77,6.7,-8.91,1,4,0, 334.485, 2

Similar to: 34955521, 34955539, 34955541, 34955561, 34955580, ... 17 in total.
6095736
 
#17

Alfa-Aesar: L12377
Angene Building Blocks: AGN-PC-0KK74G
Anward: ANW-33810
Bosche Scientific: B8220
Chembo Pharma: KB-11222...42 total

ref: mol2, SDF, SMILES, flexibase
0.95,3.16,-20.44,3,3,0, 180.232, 2

Similar to: 39261759, 39261817, 39293422,
1687247
 
#18

NCI Diversity 3: 5856
NCI Plated 2007: 5856
ChEMBL12: CHEMBL1426572
ChEMBL19: CHEMBL1426572
ChemDB: 4950829...7 total

ref: mol2, SDF, SMILES, flexibase
3.20,11.35,-28.44,4,6,0, 448.573, 8
95158
 
#19

eMolecules: 729615
Molport: MolPort-001-020-176
Scientific Exchange (make on demand): POD_59/0715
AKOS: AKOS003241738
Aldrich CPR: S644730|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
2.24,5.44,-14.11,2,4,0, 213.24, 2

Similar to: 3213919,
1693279
 
#20

Acros Organics: 37505
AK Scientific: X6822
AKOS: AKOS015840876
Alfa-Aesar: H56004
Anward: ANW-37820...46 total

ref: mol2, SDF, SMILES, flexibase
5.37,2.68,-13.39,0,4,0, 330.424, 6

Similar to: 5838409, 5841848, 6095216, 32162627, ... 4 in total.
1036880
 
#21

eMolecules: 711358
Molport: MolPort-001-819-314
Acros Organics: 11256
AK Scientific: 2609AA
AKOS: AKOS015839033...41 total

ref: mol2, SDF, SMILES, flexibase
4.80,11.3,-9.98,0,2,0, 286.33, 4

Similar to: 6095885, 32237689, 34469575, 39271212, 39291499, ... 5 in total.
17860685
 
#22

NCI Diversity 3: 6268
ChemDB: 4950998
SureChEMBL: SCHEMBL13879095
ref: mol2, SDF, SMILES, flexibase
3.37,7.86,-13.27,2,6,0, 318.336, 4
hi: mol2, SDF, SMILES, flexibase
5.74,3.55,-46.34,1,6,-1, 317.328, 4
hi: mol2, SDF, SMILES, flexibase
5.74,2.21,-40.54,1,6,-1, 317.328, 4
hi: mol2, SDF, SMILES, flexibase
5.74,3.46,-44.95,1,6,-1, 317.328, 4
hi: mol2, SDF, SMILES, flexibase
5.74,4.8,-48.27,1,6,-1, 317.328, 4

Similar to: 38810768, 5848680,
409897
 
#23

eMolecules: 2330792
Molport: MolPort-002-132-154
Scientific Exchange (make on demand): POD_48/0519
AKOS: AKOS002945864
Aldrich CPR: S511471|ALDRICH...24 total

ref: mol2, SDF, SMILES, flexibase
5.51,11,-7.16,0,2,0, 254.329, 4
283058
 
#24

eMolecules: 32184122
Aldrich CPR: PH005767|ALDRICH
Mcule: MCULE-2360348376
NCI Diversity 3: 6821
NCI Plated 2007: 6821...16 total

ref: mol2, SDF, SMILES, flexibase
4.96,11.87,-10.03,0,3,0, 289.334, 4

Similar to: 35855613,
1867048
 
#25

eMolecules: 1251085
Molport: MolPort-001-485-581
Scientific Exchange (make on demand): X-069605
AKOS: AKOS000670587
Alinda: IBS-L0137238...27 total

ref: mol2, SDF, SMILES, flexibase
3.29,5.39,-8.12,1,2,0, 232.11, 3

Similar to: 26479891, 36721435,
4365786
 
#26

Aldrich CPR: PH005194|ALDRICH
NCI Diversity 3: 7218
NCI Plated 2007: 7218
BindingDB.org: 29698
ChEMBL12: CHEMBL244683...9 total

ref: mol2, SDF, SMILES, flexibase
1.55,4.92,-16.6,2,5,0, 293.326, 2
lo: mol2, SDF, SMILES, flexibase
1.55,5.3,-35.55,3,5,1, 294.334, 2

Similar to: 5162762, 5313786, 28712630,
400541
 
#27

eMolecules: 883527
Molport: MolPort-002-932-027
AKOS: AKOS005379530
Aldrich CPR: S860522|ALDRICH
Element Store BB: b2star-93-42-5...23 total

ref: mol2, SDF, SMILES, flexibase
2.62,5.89,-10.44,1,2,0, 217.293, 2
hi: mol2, SDF, SMILES, flexibase
2.62,6.42,-51.82,1,2,-1, 216.285, 2

Similar to: 8701495,
1683531
 
#28

NCI Diversity 3: 7420
NCI Plated 2007: 7420
ChEMBL12: CHEMBL1580132
ChEMBL19: CHEMBL1580132
ChemDB: 4951622...8 total

ref: mol2, SDF, SMILES, flexibase
3.64,4.32,-7.52,3,3,0, 298.18, 2
hi: mol2, SDF, SMILES, flexibase
3.64,5.32,-48.4,2,3,-1, 297.172, 2
1683553
 
#29

NCI Diversity 3: 7436
NCI Plated 2007: 7436
ChEMBL12: CHEMBL1490904
ChEMBL19: CHEMBL1490904
ChemDB: 6419439...11 total

ref: mol2, SDF, SMILES, flexibase
3.48,4.6,-9.24,3,4,0, 304.415, 4
hi: mol2, SDF, SMILES, flexibase
3.48,4.65,-49.77,2,4,-1, 303.407, 4
12341321
 
#30

eMolecules: 507880
Molport: MolPort-001-793-010
Scientific Exchange (make on demand): X-048016
AKOS: AKOS001042300
Ark Pharm Building Blocks: AK135062...81 total

ref: mol2, SDF, SMILES, flexibase
2.13,6.42,-8.83,1,3,0, 171.203, 2
mid: mol2, SDF, SMILES, flexibase
2.13,6.41,-29.17,2,3,1, 172.211, 2
lo: mol2, SDF, SMILES, flexibase
2.13,5.72,-85.12,3,3,2, 173.219, 2
1843030
 
#31

ChemMol: 30100954
eMolecules: 476195
Molport: MolPort-001-779-876
TCM Database @ Taiwan: 27277, tcm03_000296
UEFS Natural Products: uefs-286...223 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-7.26,-11.03,5,7,0, 158.117, 1
mid: mol2, SDF, SMILES, flexibase
-1.85,-9.89,-40.27,4,7,-1, 157.109, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-12.09,-35.58,6,7,1, 159.125, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-13.67,-13.57,5,7,0, 158.117, 1
1843029
 
#32

ChemMol: 30100954
eMolecules: 476195
Molport: MolPort-001-779-876
Acros Organics: 10284
AK Scientific: H736...227 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-7.26,-11.05,5,7,0, 158.117, 1
mid: mol2, SDF, SMILES, flexibase
-1.85,-9.89,-40.26,4,7,-1, 157.109, 1
mid: mol2, SDF, SMILES, flexibase
-2.41,-9.78,-20.83,4,7,0, 157.109, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-13.65,-13.6,5,7,0, 158.117, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-12.06,-35.62,6,7,1, 159.125, 1
1688347
 
#33

NCI Diversity 3: 7745
NCI Plated 2007: 7745
ChEMBL19: CHEMBL1896997
ChemDB: 4951788
Collaborative Drug Discovery: 200294...7 total

ref: mol2, SDF, SMILES, flexibase
1.23,8.13,-11.34,0,6,0, 268.265, 6
1581342
 
#34

Chembo Pharma: KB-293401
NCI Diversity 3: 7867
NCI Plated 2007: 7867
ChEMBL12: CHEMBL1340553
ChEMBL19: CHEMBL1340553...8 total

ref: mol2, SDF, SMILES, flexibase
3.83,7.92,-7,1,5,0, 294.145, 2
154832
 
#35

eMolecules: 504205
Molport: MolPort-001-792-897
Scientific Exchange (make on demand): F-183040
Acros Organics: 43993
AKOS: AKOS000111159...76 total

ref: mol2, SDF, SMILES, flexibase
2.93,3.05,-5.29,3,2,0, 185.226, 1

Similar to: 2579086, 39119066,
61529
 
#36

eMolecules: 1018196
Molport: MolPort-001-797-386
Scientific Exchange (make on demand): POD_48/0159, POD_07/0082
AKOS: AKOS000649736
Aldrich CPR: S520063|ALDRICH...40 total

ref: mol2, SDF, SMILES, flexibase
3.99,8.93,-10.11,1,2,0, 247.297, 2

Similar to: 4474950, 33842724,
1586453
 
#37

NCI Diversity 3: 8179
NCI Plated 2007: 163498, 8179
TimTec: ST50545555
ChEMBL12: CHEMBL1602886
ChEMBL19: CHEMBL1602886...17 total

ref: mol2, SDF, SMILES, flexibase
0.59,1.63,-47.09,3,6,-1, 202.197, 2
mid: mol2, SDF, SMILES, flexibase
0.96,3.15,-14.16,4,6,0, 203.205, 2
1648249
 
#38

Aldrich CPR: L159514|ALDRICH
NCI Diversity 3: 8816
NCI Plated 2007: 8816
TimTec: ST51224239
ChEMBL12: CHEMBL1470554...10 total

ref: mol2, SDF, SMILES, flexibase
1.32,3.83,-7.18,0,7,0, 252.274, 3

Similar to: 32233587,
17529946
 
#39

eMolecules: 481153
Scientific Exchange (make on demand): Z-008984
Aldrich CPR: S240737|ALDRICH
Anward: ANW-34607
Element Store BB: b2star-632-93-9...31 total

ref: mol2, SDF, SMILES, flexibase
3.06,7.73,-9.86,1,5,0, 267.325, 6

Similar to: 31769097, 31769098, 31771835, 32157759, 32267129, ... 16 in total.
4416197
 
#40

Aldrich CPR: S819905|ALDRICH
Element Store BB: b2star-632-89-3
NCI Diversity 3: 9032
NCI Plated 2007: 9032
Rare Chemicals: FH1G0A11...12 total

ref: mol2, SDF, SMILES, flexibase
7.03,13.57,-10.89,0,3,0, 364.448, 4

Similar to: 399963,
13597410
 
#41

eMolecules: 985505
AKOS: AKOS002268859
Aldrich CPR: PH010649|ALDRICH
Element Store BB: b2star-9037-65-4
Innovapharm: STT-00195989...18 total

ref: mol2, SDF, SMILES, flexibase
2.66,0.97,-16.1,4,6,0, 336.299, 1
hi: mol2, SDF, SMILES, flexibase
2.66,0.92,-42.8,3,6,-1, 335.291, 1

Similar to: 25495112, 4894301, 4894546, 4902078, ... 4 in total.
2042931
 
#42

NCI Diversity 3: 9341
NCI Plated 2007: 9341
ChEMBL12: CHEMBL1490057
ChEMBL19: CHEMBL1490057
ChemDB: 4952433...8 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.84,-10.03,0,5,0, 237.255, 3

Similar to: 3634965, 3634966, 3634967, 3634968, 3634970, ... 27 in total.
1699937
 
#43

NCI Diversity 3: 9341
ChEMBL12: CHEMBL1490057
ChEMBL19: CHEMBL1490057
ChemDB: 4952433
Collaborative Drug Discovery: 152771...7 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.84,-10.12,0,5,0, 237.255, 3

Similar to: 3634965, 3634966, 3634967, 3634968, 3634970, ... 27 in total.
13110587
 
#44

Alfa-Aesar: B23789
American Custom Chemicals Corp.: CHM0011024
Anward: ANW-42428
Ark Pharm Building Blocks: AK-57516
BOC Sciences BB: 13103-75-8...21 total

ref: mol2, SDF, SMILES, flexibase
3.33,5.4,-9.96,0,4,0, 226.283, 3
ref: mol2, SDF, SMILES, flexibase
3.33,6.38,-11.46,0,4,0, 226.283, 3

Similar to: 17001620, 34349867, 5317989,
8581421
 
#45

AKOS: AKOS002236233
Anward: ANW-20805
Element Store BB: b2star-1437-15-6
Innovapharm: STT-00137938
Mcule: MCULE-7255341082...17 total

ref: mol2, SDF, SMILES, flexibase
1.80,6.55,-7.21,0,2,0, 182.226, 2
lo: mol2, SDF, SMILES, flexibase
1.80,6.69,-25.89,1,2,1, 183.234, 2
lo: mol2, SDF, SMILES, flexibase
1.80,6.86,-85.54,2,2,2, 184.242, 2

Similar to: 31905679, 31905680, 3877523,
306008
 
#46

eMolecules: 1692362
Molport: MolPort-001-501-084
Scientific Exchange (make on demand): T-087331
AKOS: AKOS003246510
Alinda: IVK/8072686...26 total

ref: mol2, SDF, SMILES, flexibase
3.95,7.85,-8.55,1,2,0, 227.307, 3

Similar to: 23391183, 23391184, 31872843, 44880404, 44880407, ... 7 in total.
4578913
 
#47

eMolecules: 46478593
Molport: MolPort-006-117-709
Scientific Exchange (make on demand): X-009938
AKOS: AKOS002927358
American Custom Chemicals Corp.: CHM0163036...18 total

ref: mol2, SDF, SMILES, flexibase
2.60,2.68,-9.17,1,4,0, 240.262, 4

Similar to: 5864455, 6480607, 7157452, 7157453, 33847651, ... 11 in total.
1706083
 
#48

NCI Diversity 3: 10173
NCI Plated 2007: 10173
ChEMBL12: CHEMBL1311152
ChEMBL19: CHEMBL1311152
ChemDB: 4952824...8 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.64,-9.77,0,5,0, 278.304, 5

Similar to: 3965750, 4416613,
4416613
 
#49

NCI Diversity 3: 10173
ChEMBL12: CHEMBL1311152
ChEMBL19: CHEMBL1311152
ChemDB: 4952824
Collaborative Drug Discovery: 200090...7 total

ref: mol2, SDF, SMILES, flexibase
1.95,6.83,-9.7,0,5,0, 278.304, 5

Similar to: 1706083, 3965750,
1706223
 
#50

ChemMol: 96700152, 30114591, 44020848
eMolecules: 493029
Acros Organics: 13040
ACT Chemical BB: ACT07421
AK Scientific: X4094...69 total

ref: mol2, SDF, SMILES, flexibase
4.81,11.78,-7.25,0,1,0, 243.309, 1

Similar to: 34343045, 34549997, 34925661, 35861835, 39241206, ... 7 in total.
1706234
 
#51

NCI Diversity 3: 10427
NCI Plated 2007: 10427
Tractus: TRA0158892
ChEMBL19: CHEMBL1418317
ChemDB: 4904940...7 total

ref: mol2, SDF, SMILES, flexibase
1.90,7.37,-10.14,0,2,0, 188.226, 1

Similar to: 1715324, 1715327, 13597414, 16928013, 17004681, ... 6 in total.
12341336
 
#52

eMolecules: 26368631
Molport: MolPort-002-645-412
American Custom Chemicals Corp.: NEW0081025
IBScreen: STOCK5S-54219
Mcule: MCULE-3996502655...16 total

ref: mol2, SDF, SMILES, flexibase
1.50,6.06,-11.97,0,3,0, 204.225, 2
1712457
 
#53

NCI Diversity 3: 10768
NCI Plated 2007: 10768
BindingDB.org: 15013
ChEMBL12: CHEMBL1706165
ChEMBL19: CHEMBL1706165...8 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.36,-9.16,2,6,0, 255.27, 7

Similar to: 2155791, 39261907, 39392131, 39392132, 39392133, ... 7 in total.
1712458
 
#54

eMolecules: 7333629
Molport: MolPort-003-004-786
AKOS: AKOS003653168
Chembo Pharma: KB-219735
Labotest: LT00615293...25 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.5,-9.96,3,3,0, 178.235, 3

Similar to: 1620955,
1620955
 
#55

eMolecules: 7333629
Molport: MolPort-003-004-786
AKOS: AKOS003653168
Aldrich CPR: PH008163|ALDRICH
Chembo Pharma: KB-219735...23 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.51,-9.95,3,3,0, 178.235, 3

Similar to: 1712458,
1712637
 
#56

AK Scientific: 7776AB
Anward: ANW-58601
Apexmol Building Blocks: AM806853
Ark Pharm Building Blocks: AK-79384
BePharm Building Blocks: B220596...24 total

ref: mol2, SDF, SMILES, flexibase
2.49,5.43,-8.79,0,2,0, 241.084, 1

Similar to: 32235104, 32235106, 32264006, 32264007, 32264360, ... 9 in total.
1712658
 
#57

eMolecules: 7333918
Molport: MolPort-001-019-500
Scientific Exchange (make on demand): Z-027520
AKOS: AKOS000340095
Aldrich CPR: S706833|ALDRICH...24 total

ref: mol2, SDF, SMILES, flexibase
2.72,6.55,-6.66,2,4,0, 268.316, 3

Similar to: 3072905, 8737440, 32189724,
1555262
 
#58

Molport: MolPort-005-723-504
Aldrich CPR: PH011015|ALDRICH
Enamine: Z270979606
Enamine Building Blocks: EN300-62638
Molport BB: MolPort-005-723-504...24 total

ref: mol2, SDF, SMILES, flexibase
1.82,2.89,-8.74,2,2,0, 163.22, 2

Similar to: 1712735, 2044229, 6521554, 6521557, 34560580, ... 9 in total.
1712744
 
#59

NCI Diversity 3: 11150
NCI Plated 2007: 11150
Tractus: TRA0155691
ChEMBL12: CHEMBL1604681
ChEMBL19: CHEMBL1604681...11 total

ref: mol2, SDF, SMILES, flexibase
4.01,3.87,-6.65,2,2,0, 234.682, 2

Similar to: 34426904, 39260303,
1712830
 
#60

NCI Diversity 3: 11276
NCI Plated 2007: 11276
ChEMBL12: CHEMBL1730708
ChEMBL19: CHEMBL1730708
ChemDB: 4953459...8 total

ref: mol2, SDF, SMILES, flexibase
1.68,-0.4,-7.39,0,7,0, 266.301, 3

Similar to: 5424474, 32233587,
5424474
 
#61

NCI Diversity 3: 11276
ChEMBL12: CHEMBL1730708
ChEMBL19: CHEMBL1730708
ChemDB: 4953459
Collaborative Drug Discovery: 200138...7 total

ref: mol2, SDF, SMILES, flexibase
1.68,4.73,-7.4,0,7,0, 266.301, 3

Similar to: 32233587, 1712830,
93738
 
#62

eMolecules: 1343736
Molport: MolPort-001-965-687
AKOS: AKOS000647207
Asinex: BAS01557489
ChemBridge: 6003338...24 total

ref: mol2, SDF, SMILES, flexibase
2.14,5.69,-8.33,0,7,0, 286.291, 2

Similar to: 6553965, 36667185, 36984666,
4366261
 
#63

NCI Diversity 3: 11437
NCI Plated 2007: 11437
BindingDB.org: 51251
ChEMBL12: CHEMBL1485088
ChEMBL19: CHEMBL1485088...11 total

ref: mol2, SDF, SMILES, flexibase
4.51,8.69,-8.59,1,3,0, 301.773, 4

Similar to: 8581435,
8580873
 
#64

American Custom Chemicals Corp.: CHM0005255
Anward: ANW-19578
Chembo Pharma: KB-71824
Mcule: MCULE-4563392031
NCI Diversity 3: 11470...18 total

ref: mol2, SDF, SMILES, flexibase
1.92,5.42,-6.32,0,2,0, 182.226, 2
lo: mol2, SDF, SMILES, flexibase
1.92,6.02,-85.38,2,2,2, 184.242, 2
lo: mol2, SDF, SMILES, flexibase
1.92,5.72,-33.85,1,2,1, 183.234, 2

Similar to: 12341385, 25489416, 39051665, 39051667, 39367466, ... 5 in total.
116869
 
#65

eMolecules: 1026979
Molport: MolPort-001-806-277
Maybridge: GK03448
Maybridge Hit Finder: GK03448
NCI Diversity 3: 11624...10 total

ref: mol2, SDF, SMILES, flexibase
3.02,8.2,-7.17,0,4,0, 276.752, 2
1718481
 
#66

NCI Diversity 3: 11663
NCI Plated 2007: 11663
ChEMBL12: CHEMBL1539638
ChEMBL19: CHEMBL1539638
ChemDB: 4953728...8 total

ref: mol2, SDF, SMILES, flexibase
4.77,9.35,-8.71,0,5,0, 328.441, 7
1718482
 
#67

NCI Diversity 3: 11664
NCI Plated 2007: 11664
ChEMBL12: CHEMBL1347777
ChEMBL19: CHEMBL1347777
ChemDB: 4953729...7 total

ref: mol2, SDF, SMILES, flexibase
3.19,10.1,-10.01,1,5,0, 295.39, 4
1718485
 
#68

NCI Diversity 3: 11667
NCI Plated 2007: 11667
BindingDB.org: 78331
ChEMBL12: CHEMBL1601820
ChEMBL19: CHEMBL1601820...8 total

ref: mol2, SDF, SMILES, flexibase
6.13,13.17,-9.05,2,6,0, 474.16, 4
1718486
 
#69

Molport: MolPort-003-594-732
Mcule: MCULE-2217239478
NCI Diversity 3: 11668
NCI Plated 2007: 11668
Otava: 7008438...16 total

ref: mol2, SDF, SMILES, flexibase
5.82,12.96,-8.43,2,6,0, 385.258, 4

Similar to: 7448060, 7448338, 7448442,
4347718
 
#70

eMolecules: 1970514
Molport: MolPort-002-910-717
BOC Sciences BB: 1249-97-4
Maybridge: NRB02099
Molport BB: MolPort-002-910-717...18 total

ref: mol2, SDF, SMILES, flexibase
5.71,11.52,-12.13,0,4,0, 389.524, 3

Similar to: 34550301,
4701343
 
#71

Molport: MolPort-003-659-602
AKOS: AKOS004905614, AKOS004905637, AKOS004905624, AKOS004905613, AKOS004905625
Mcule: MCULE-8862042487
MolMall (Depleted): 3215, 3218, 3216, 3219, 3214, 3217
MolMall (formerly Molecular Diversity Preservation International): 12212...33 total

ref: mol2, SDF, SMILES, flexibase
4.49,1.32,-8.29,0,2,0, 274.367, 3

Similar to: 5336345, 6269634, 12414014,
4428312
 
#72

Bosche Scientific: T10154
Fluorochem: 011110
KeyOrganics: MS-6645
Mcule: MCULE-4308806189
Molport BB: MolPort-000-152-576...14 total

ref: mol2, SDF, SMILES, flexibase
3.65,6.59,-9.22,1,3,0, 226.279, 1
mid: mol2, SDF, SMILES, flexibase
3.65,6.54,-9.37,1,3,0, 226.279, 1

Similar to: 5187225, 5189452, 5285153, 34031529, 34031934, ... 7 in total.
1871103
 
#73

NCI Diversity 3: 12028
ChEMBL12: CHEMBL1490893
ChEMBL19: CHEMBL1490893
ChemDB: 4953911
Collaborative Drug Discovery: 200210...7 total

ref: mol2, SDF, SMILES, flexibase
3.69,9.55,-18.54,1,4,0, 286.375, 4
2042840
 
#74

NCI Diversity 3: 12028
NCI Plated 2007: 12028
ChEMBL12: CHEMBL1490893
ChEMBL19: CHEMBL1490893
ChemDB: 4953911...8 total

ref: mol2, SDF, SMILES, flexibase
3.69,1.2,-17.7,1,4,0, 286.375, 4
24334040
 
#75

eMolecules: 7335373
Molport: MolPort-005-661-024
Enamine: Z44112477
Mcule: MCULE-1337890237
NCI Diversity 3: 12262...12 total

ref: mol2, SDF, SMILES, flexibase
3.18,5.09,-9.42,1,5,0, 314.385, 4

Similar to: 1724392,
323854
 
#76

Molport: MolPort-001-783-617
Aldrich CPR: S770043|ALDRICH
Fragmenta: PHE048
NCI Diversity 3: 12488
NCI Plated 2007: 130792...19 total

ref: mol2, SDF, SMILES, flexibase
4.34,5.34,-32.32,3,3,1, 271.727, 2
mid: mol2, SDF, SMILES, flexibase
4.34,4.92,-7.72,2,3,0, 270.719, 2

Similar to: 34219903,
1724593
 
#77

eMolecules: 7335702
Molport: MolPort-002-368-129
Mcule: MCULE-4157879666
NCI Diversity 3: 12544
NCI Plated 2007: 12544...15 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.62,-17.76,0,4,0, 319.769, 3
5513820
 
#78

NCI Diversity 3: 12588
NCI Plated 2007: 12588
ChEMBL12: CHEMBL1308178
ChEMBL19: CHEMBL1308178
ChemDB: 7601603...8 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.67,-12.26,1,2,0, 158.27, 3

Similar to: 34583647, 34583648,
4366520
 
#79

NCI Diversity 3: 13051
NCI Plated 2007: 13051
BindingDB.org: 51879
ChEMBL12: CHEMBL1430372
ChEMBL19: CHEMBL1430372...9 total

ref: mol2, SDF, SMILES, flexibase
7.71,9.14,-27.59,3,4,1, 407.921, 4
hi: mol2, SDF, SMILES, flexibase
7.71,8.77,-7.81,2,4,0, 406.913, 4
4428581
 
#80

AK Scientific: 5286AE
AKOS: AKOS001259663
American Custom Chemicals Corp.: HCH0020291
Chembo Pharma: KB-229653
Innovapharm: STT-00072366...33 total

ref: mol2, SDF, SMILES, flexibase
3.78,6.83,-10.77,1,2,0, 258.704, 3
hi: mol2, SDF, SMILES, flexibase
3.78,7.6,-45.24,0,2,-1, 257.696, 3

Similar to: 5950603, 6338451, 15924504, 31905130, ... 4 in total.
1683295
 
#81

Chembo Pharma: KB-289998
NCI Diversity 3: 13156
NCI Plated 2007: 13156
ChEMBL12: CHEMBL1420097
ChEMBL19: CHEMBL1420097...9 total

ref: mol2, SDF, SMILES, flexibase
1.92,2.55,-53.98,2,6,-1, 313.362, 3
mid: mol2, SDF, SMILES, flexibase
1.92,3,-14.66,3,6,0, 314.37, 3
1683317
 
#82

NCI Diversity 3: 13213
NCI Plated 2007: 13213
ChEMBL12: CHEMBL1430740
ChEMBL19: CHEMBL1430740
ChemDB: 4954633...9 total

ref: mol2, SDF, SMILES, flexibase
0.68,1.43,-13.47,2,4,0, 187.202, 1
13597368
 
#83

Chembo Pharma: KB-213798
NCI Diversity 3: 13294
NCI Plated 2007: 13294
ChEMBL12: CHEMBL1451334
ChEMBL19: CHEMBL1451334...9 total

ref: mol2, SDF, SMILES, flexibase
6.69,13.24,-10.24,0,3,0, 429.734, 3

Similar to: 15924502, 6581889,
15924502
 
#84

Chembo Pharma: KB-213798
NCI Diversity 3: 13294
ChEMBL12: CHEMBL1451334
ChEMBL19: CHEMBL1451334
ChemDB: 4954697...9 total

ref: mol2, SDF, SMILES, flexibase
6.69,13.23,-14.15,0,3,0, 429.734, 3

Similar to: 6581889, 13597368,
8581460
 
#85

NCI Diversity 3: 13487
BindingDB.org: 51250
ChemDB: 4954835
PubChem: 224744, 40773446
ref: mol2, SDF, SMILES, flexibase
7.66,15.64,-7.95,0,2,0, 378.519, 6

Similar to: 13597370,
1591950
 
#86

NCI Diversity 3: 13653
NCI Plated 2007: 13653
ChEMBL19: CHEMBL1529698
ChemDB: 4905010
PubChem: 224829...7 total

ref: mol2, SDF, SMILES, flexibase
1.34,5.43,-11.95,0,4,0, 218.208, 1

Similar to: 36373229,
1591957
 
#87

NCI Diversity 3: 13658
ChEMBL19: CHEMBL1577472
ChemDB: 4954960
Collaborative Drug Discovery: 200093
PubChem: 5913159...6 total

ref: mol2, SDF, SMILES, flexibase
1.08,5.87,-13.34,0,5,0, 264.277, 4

Similar to: 15924499, 34457159,
1592023
 
#88

NCI Diversity 3: 13800
NCI Plated 2007: 13800
ChEMBL12: CHEMBL1541701
ChEMBL19: CHEMBL1541701
ChemDB: 4905018...7 total

ref: mol2, SDF, SMILES, flexibase
0.90,3.36,-14.9,0,6,0, 254.267, 2

Similar to: 39295455,
12358863
 
#89

American Custom Chemicals Corp.: CHM0012249
Anward: ANW-19291
Ark Pharm Building Blocks: AK-57574
Chembo Pharma: KB-193777
ChemDiv: 0099-0130...32 total

ref: mol2, SDF, SMILES, flexibase
4.72,7.16,-10.92,2,3,0, 247.301, 2

Similar to: 31308488, 31515078, 34320189, 34471947, ... 6 in total.
1596698
 
#90

Chembo Pharma: KB-301178
NCI Diversity 3: 14142
BindingDB.org: 69483
ChEMBL12: CHEMBL1306052
ChEMBL19: CHEMBL1306052...9 total

ref: mol2, SDF, SMILES, flexibase
1.28,-1.78,-17.34,2,8,0, 327.344, 3
8581164
 
#91

NCI Diversity 3: 14303
NCI Plated 2007: 14303
ChEMBL12: CHEMBL1595028
ChEMBL19: CHEMBL1595028
ChemDB: 4955369...10 total

ref: mol2, SDF, SMILES, flexibase
1.14,4.29,-8.38,1,6,0, 222.248, 1

Similar to: 6262529, 6447457,
8581166
 
#92

NCI Diversity 3: 14304
NCI Plated 2007: 14304
BindingDB.org: 69473
BOC Sciences BB (Depleted): 2850-41-1
ChEMBL12: CHEMBL1567539...14 total

ref: mol2, SDF, SMILES, flexibase
1.16,4.49,-8.91,1,6,0, 222.248, 2

Similar to: 8612354, 39382324, 6262529, 6447457, ... 4 in total.
18142874
 
#93

eMolecules: 1469594
Molport: MolPort-002-001-534
AKOS: AKOS000578822
Life Chemicals: F3176-0004
Mcule: MCULE-6385756709...19 total

ref: mol2, SDF, SMILES, flexibase
1.33,7.46,-8.76,1,7,0, 263.301, 1
lo: mol2, SDF, SMILES, flexibase
1.33,6.96,-40.05,2,7,1, 264.309, 1

Similar to: 41675831, 42454648, 9975035,
1652969
 
#94

NCI Diversity 3: 14380
NCI Plated 2007: 14380
ChEMBL12: CHEMBL1322194
ChEMBL19: CHEMBL1322194
ChemDB: 4955418...7 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.51,-7.12,0,7,0, 266.301, 3

Similar to: 32233587,
1652984
 
#95

NCI Diversity 3: 14396
NCI Plated 2007: 14396
ChEMBL12: CHEMBL483661
ChEMBL19: CHEMBL483661
ChemDB: 4955434...9 total

ref: mol2, SDF, SMILES, flexibase
2.13,8.29,-10.97,0,6,0, 284.319, 2

Similar to: 31560681, 31560683, 31561196, 32271369, 32271371, ... 6 in total.
1652986
 
#96

NCI Diversity 3: 14398
NCI Plated 2007: 14398
ChEMBL12: CHEMBL1498782
ChEMBL19: CHEMBL1498782
ChemDB: 4955436...9 total

ref: mol2, SDF, SMILES, flexibase
1.21,6.17,-11.56,2,7,0, 299.334, 2

Similar to: 31561196, 32271369, 32271371, 32271375, 34587388, ... 6 in total.
13597372
 
#97

NCI Diversity 3: 14528
ref: mol2, SDF, SMILES, flexibase
1.30,6.15,-8.01,0,3,0, 207.273, 2

Similar to: 38448034, 4428858,
4428858
 
#98

NCI Diversity 3: 14528
NCI Plated 2007: 14528
ChEMBL12: CHEMBL1599261
ChEMBL19: CHEMBL1599261
ChemDB: 4955521...8 total

ref: mol2, SDF, SMILES, flexibase
1.30,6.06,-8,0,3,0, 207.273, 2

Similar to: 13597372, 38448034,
399512
 
#99

ChemMol: 44021644
AK Scientific: Z2043
Aldrich CPR: S785695|ALDRICH
Amadis Chemical: A845859
Bosche Scientific: A8416...32 total

ref: mol2, SDF, SMILES, flexibase
0.79,0.14,-8.73,3,4,0, 185.252, 3
1653222
 
#100

NCI Diversity 3: 14771
NCI Plated 2007: 14771
BindingDB.org: 52835
ChEMBL12: CHEMBL1567800
ChEMBL19: CHEMBL1567800...10 total

ref: mol2, SDF, SMILES, flexibase
1.06,4.33,-44.79,0,4,-1, 197.173, 0
lo: mol2, SDF, SMILES, flexibase
1.06,4.8,-12.85,1,4,0, 198.181, 0

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 = 323 ) limit 0,100

Smiles were