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33876212
 
#1

Life Chemicals (Virtual): F0301-0305
Life Chemicals BB Make-on-Demand: F0301-0305
ChemDB: 6217360
PubChem: 3686464
ref: mol2, SDF, SMILES, flexibase
3.71,5.84,-13.99,2,5,0, 299.355, 3

Similar to: 36744072, 3203450, 567896,
2739048
 
#2

eMolecules: 3962503, 46515599
Molport: MolPort-005-973-952, MolPort-001-500-780
Scientific Exchange (make on demand): T-086361
AKOS: AKOS001295886, AKOS005575861
Alinda: IVK/8060620...27 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.03,-14.74,1,4,0, 203.292, 3

Similar to: 5909055, 31874310,
6379524
 
#3

Life Chemicals BB Make-on-Demand: F0326-0480
ChemDB: 6179152
PubChem: 4323858
ref: mol2, SDF, SMILES, flexibase
2.01,6.67,-7.16,1,4,0, 263.318, 4
hi: mol2, SDF, SMILES, flexibase
2.08,5.27,-46.19,0,4,-1, 262.31, 4

Similar to: 265337,
4072211
 
#4

Life Chemicals BB Make-on-Demand: F0326-0482
ChemDB: 6179154
PubChem: 4458940
ref: mol2, SDF, SMILES, flexibase
2.10,0.64,-7.93,1,4,0, 277.345, 5
265334
 
#5

eMolecules: 6687770
Molport: MolPort-003-436-174
AKOS: AKOS001611454
ChemDiv: 2513-1257
Mcule: MCULE-2613865490...13 total

ref: mol2, SDF, SMILES, flexibase
2.43,7.33,-7.1,1,4,0, 277.345, 4
hi: mol2, SDF, SMILES, flexibase
2.50,5.94,-46.7,0,4,-1, 276.337, 4
265339
 
#6

Life Chemicals BB Make-on-Demand: F0326-0487
BindingDB.org: 77495
ChEMBL12: CHEMBL1490809
ChEMBL19: CHEMBL1490809
ChemDB: 6179159...8 total

ref: mol2, SDF, SMILES, flexibase
2.04,5.98,-8.57,1,5,0, 293.344, 5
hi: mol2, SDF, SMILES, flexibase
2.11,4.57,-47.79,0,5,-1, 292.336, 5

Similar to: 5192900,
265341
 
#7

eMolecules: 15924613
Molport: MolPort-007-554-807
AKOS: AKOS001611455
ChemDiv: 2513-1261
Mcule: MCULE-3659913397...10 total

ref: mol2, SDF, SMILES, flexibase
2.06,0.67,-7.6,1,5,0, 293.344, 5

Similar to: 5192900,
265348
 
#8

Life Chemicals BB Make-on-Demand: F0326-0491
ChemDB: 6179163
PubChem: 4691521
ref: mol2, SDF, SMILES, flexibase
2.64,0.52,-7.96,1,4,0, 297.763, 4
265360
 
#9

eMolecules: 2568064
Molport: MolPort-007-554-808
AKOS: AKOS001611519
ChemDiv: 2513-1272
Mcule: MCULE-9835647848...11 total

ref: mol2, SDF, SMILES, flexibase
2.66,7.19,-6.9,1,4,0, 297.763, 4
hi: mol2, SDF, SMILES, flexibase
2.73,5.78,-42.82,0,4,-1, 296.755, 4
265365
 
#10

eMolecules: 37117464
Molport: MolPort-003-012-436
ChemDiv: 2513-1274
Mcule: MCULE-8995904654
Life Chemicals BB Make-on-Demand: F0326-0501...8 total

ref: mol2, SDF, SMILES, flexibase
2.69,0.49,-6.2,1,4,0, 297.763, 4
265378
 
#11

Life Chemicals BB Make-on-Demand: F0326-0513
AKOS BB (make-on-demand): AKOS001611561
BindingDB.org: 87670
ChEMBL12: CHEMBL1578674
ChEMBL19: CHEMBL1578674...9 total

ref: mol2, SDF, SMILES, flexibase
2.83,7.89,-7.15,1,4,0, 291.372, 4
hi: mol2, SDF, SMILES, flexibase
2.90,6.49,-47.42,0,4,-1, 290.364, 4
265386
 
#12

Life Chemicals BB Make-on-Demand: F0326-0533
AKOS BB (make-on-demand): AKOS001611654
ChEMBL12: CHEMBL1607968
ChEMBL19: CHEMBL1607968
ChemDB: 6179199...9 total

ref: mol2, SDF, SMILES, flexibase
1.91,5.64,-7.08,1,4,0, 269.347, 4
hi: mol2, SDF, SMILES, flexibase
1.97,4.01,-44.22,0,4,-1, 268.339, 4

Similar to: 36629555,
187719
 
#13

eMolecules: 1354805
Molport: MolPort-000-917-918
Scientific Exchange (make on demand): Z-070312
AKOS: AKOS000573857
Asinex: BAS01889656...14 total

ref: mol2, SDF, SMILES, flexibase
0.91,0.24,-18.75,1,6,0, 279.321, 4

Similar to: 1418537, 58231032, 58231087, 58231779, ... 4 in total.
4223272
 
#14

Life Chemicals BB Make-on-Demand: F0326-1062
PubChem: 7135849
ref: mol2, SDF, SMILES, flexibase
1.73,5.14,-6.49,1,4,0, 229.301, 5

Similar to: 36627307, 36627308, 36627311,
4072383
 
#15

Chembo Pharma: KB-176571
Chemstep: 38324
Life Chemicals BB Make-on-Demand: F0326-1068
ChemDB: 6179286
PubChem: 4083335...5 total

ref: mol2, SDF, SMILES, flexibase
1.26,0.91,-8.49,1,5,0, 253.279, 4
66632
 
#16

eMolecules: 1472322
Molport: MolPort-002-002-030
Scientific Exchange (make on demand): POD_90/0510
AKOS: AKOS000652894
Alinda: IBS-L0216223...25 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.02,-15.59,1,4,0, 199.279, 4

Similar to: 6125620, 31958990, 31963333, 31963338, 36238970, ... 23 in total.
4077287
 
#17

Life Chemicals BB Make-on-Demand: F0396-0272
ChEMBL19: CHEMBL1887062
ChemDB: 6218771
Collaborative Drug Discovery: 1480650
PubChem: 3567868...5 total

ref: mol2, SDF, SMILES, flexibase
2.90,8.88,-10.9,1,4,0, 287.388, 4
4223310
 
#18

Life Chemicals BB Make-on-Demand: F0396-0350
ChemDB: 6218817
PubChem: 4107029
ref: mol2, SDF, SMILES, flexibase
2.97,0.21,-11.84,1,4,0, 287.388, 3

Similar to: 4224442, 4274452, 4077314, 3892418, ... 4 in total.
7319422
 
#19

Innovapharm Make-on-Demand: VT-00417930
Life Chemicals BB Make-on-Demand: F0453-0324
Otava (Virtual): 5451217
ChEMBL12: CHEMBL541682
ChEMBL19: CHEMBL541682...9 total

ref: mol2, SDF, SMILES, flexibase
1.47,4.63,-14.93,1,4,0, 211.29, 3

Similar to: 36238980, 43065110, 48818531, 58232645, 58232704, ... 5 in total.
2675719
 
#20

American Custom Chemicals Corp.: HCH0281074
Life Chemicals BB Make-on-Demand: F0474-0003
ChemDB: 6995737
PubChem: 9690726, 4476365
ref: mol2, SDF, SMILES, flexibase
2.37,-1.39,-14.4,2,5,0, 299.305, 5

Similar to: 4283172, 4287573, 4292922, 4302908, 4303059, ... 11 in total.
1754326
 
#21

eMolecules: 6140527
Scientific Exchange (make on demand): POD_30/0521
AKOS: AKOS001580906
Aldrich CPR: S903914|ALDRICH
ChemDiv: 0896-8800...16 total

ref: mol2, SDF, SMILES, flexibase
1.46,-1.72,-16.45,2,6,0, 271.276, 5

Similar to: 1946425, 4327078, 5208606,
2894841
 
#22

eMolecules: 2075472
Molport: MolPort-002-115-562
AKOS: AKOS001605131
American Custom Chemicals Corp.: CHM0191095
ChemBridge: 5472078...16 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.46,-14.85,2,5,0, 287.344, 5

Similar to: 4287315, 4335653, 4335753,
5369828
 
#23

Life Chemicals BB Make-on-Demand: F0474-0052
PubChem: 9705215
ref: mol2, SDF, SMILES, flexibase
2.32,-1.46,-16.47,2,5,0, 299.305, 5

Similar to: 4283172, 4287573, 4292922, 4302908, 4303059, ... 9 in total.
2283408
 
#24

eMolecules: 26257522
Molport: MolPort-002-554-447
AKOS: AKOS005522089
IBScreen: STOCK1S-78193
Mcule: MCULE-8515380208...14 total

ref: mol2, SDF, SMILES, flexibase
1.58,3.51,-19.01,2,6,0, 289.266, 5

Similar to: 15979694,
2894818
 
#25

eMolecules: 2075440
Molport: MolPort-002-115-558
AKOS: AKOS001720912
ChemBridge: 5471928
ChemDiv: 8002-7293...14 total

ref: mol2, SDF, SMILES, flexibase
1.60,-0.98,-16.96,2,6,0, 289.266, 5
7319665
 
#26

Life Chemicals BB Make-on-Demand: F0474-0152
PubChem: 43948391
ref: mol2, SDF, SMILES, flexibase
1.89,-1.4,-16.47,2,6,0, 285.303, 5

Similar to: 4327078,
7320139
 
#27

Life Chemicals BB Make-on-Demand: F0474-0373
PubChem: 9735148
ref: mol2, SDF, SMILES, flexibase
2.29,-1.11,-16.56,2,6,0, 299.33, 5

Similar to: 38408586,
3083376
 
#28

AKOS: AKOS001732105
Mcule: MCULE-9307025449
Life Chemicals BB Make-on-Demand: F0474-0781
ChemDB: 5783475
ChemDiv (Depleted): 8003-6746...8 total

ref: mol2, SDF, SMILES, flexibase
0.72,-1.46,-17.5,2,7,0, 261.237, 5

Similar to: 33734095,
2896809
 
#29

eMolecules: 2077021
Molport: MolPort-002-115-737
ChemBridge: 5480878
IBScreen: STOCK1S-86894
Mcule: MCULE-3381378943...13 total

ref: mol2, SDF, SMILES, flexibase
1.36,2.46,-15.88,2,6,0, 277.305, 5
2771258
 
#30

eMolecules: 3983687
Molport: MolPort-001-566-014, MolPort-019-756-809
AKOS: AKOS003291930
Alinda: IVK/6182766
Mcule: MCULE-5594380034...17 total

ref: mol2, SDF, SMILES, flexibase
2.10,-3.11,-13.95,2,5,0, 287.344, 5

Similar to: 33781971,
7320958
 
#31

Life Chemicals BB Make-on-Demand: F0495-0054
PubChem: 9735357
ref: mol2, SDF, SMILES, flexibase
2.11,-1.32,-16.8,2,6,0, 299.33, 5

Similar to: 38408801,
3115441
 
#32

eMolecules: 6742987
Molport: MolPort-002-695-630
AKOS: AKOS001708455
BioBlocks: A1023/0047902
ChemDiv: 8005-7902...16 total

ref: mol2, SDF, SMILES, flexibase
1.91,-1.54,-14.8,2,6,0, 285.303, 5

Similar to: 4361089, 33732397,
3083487
 
#33

AKOS: AKOS001731349
Life Chemicals BB Make-on-Demand: F0495-0395
ChemDB: 5792390
ChemDiv (Depleted): 8003-6901
PubChem: 9596843...6 total

ref: mol2, SDF, SMILES, flexibase
0.94,-1.38,-17.88,2,7,0, 275.264, 5

Similar to: 33670248,
1016256
 
#34

eMolecules: 4515549
Molport: MolPort-005-973-902
Scientific Exchange (make on demand): M-048674
AKOS: AKOS002313681
AsisChem: J16846...24 total

ref: mol2, SDF, SMILES, flexibase
0.59,2.14,-14.87,1,4,0, 189.265, 2
355460
 
#35

eMolecules: 1504547
Molport: MolPort-001-622-062
Scientific Exchange: K-042352
AKOS: AKOS000654541
Alinda: IBS-0012768...22 total

ref: mol2, SDF, SMILES, flexibase
1.82,5.24,-18.29,1,4,0, 253.352, 4
hi: mol2, SDF, SMILES, flexibase
2.01,4,-46.16,0,4,-1, 252.344, 4

Similar to: 58231230, 58231233, 58231663, 58231869, 58232517, ... 5 in total.
4223644
 
#36

Life Chemicals BB Make-on-Demand: F0529-0490
PubChem: 7136137
ref: mol2, SDF, SMILES, flexibase
2.62,0.73,-7.17,1,4,0, 291.372, 6
4223646
 
#37

Life Chemicals BB Make-on-Demand: F0529-0494
PubChem: 7136139
ref: mol2, SDF, SMILES, flexibase
2.26,1.38,-9.1,1,4,0, 295.335, 5
4223909
 
#38

Life Chemicals BB Make-on-Demand: F0536-0003
ChemDB: 6224129
Life Chemicals (Depleted): F0536-0003
PubChem: 4658314
ref: mol2, SDF, SMILES, flexibase
1.96,4.71,-11.81,1,4,0, 246.291, 1

Similar to: 6496306, 6510506,
83168
 
#39

eMolecules: 5820185
Molport: MolPort-002-914-737
Maybridge: RH01302
Maybridge Hit Finder: RH01302
Life Chemicals BB Make-on-Demand: F0536-0004...9 total

ref: mol2, SDF, SMILES, flexibase
2.27,-1.25,-18.08,1,3,0, 230.292, 1

Similar to: 39031694,
4223910
 
#40

Life Chemicals (Virtual): F0536-0007
Life Chemicals BB Make-on-Demand: F0536-0007
PubChem: 7136372
ref: mol2, SDF, SMILES, flexibase
3.42,0.36,-15.49,1,4,0, 282.343, 4

Similar to: 4223936, 4224107, 8879629, 8879759, 34436355, ... 11 in total.
80172
 
#41

eMolecules: 4909250
Molport: MolPort-002-705-917
Scientific Exchange (make on demand): X-087252
AKOS: AKOS005593904
BioBlocks: A2065/0086837...20 total

ref: mol2, SDF, SMILES, flexibase
2.69,7.58,-11.54,0,4,0, 275.377, 2

Similar to: 25370409,
4223912
 
#42

Life Chemicals BB Make-on-Demand: F0536-0012
ChemDB: 6224133
Life Chemicals (Depleted): F0536-0012
PubChem: 4618054
ref: mol2, SDF, SMILES, flexibase
3.11,-1.18,-17.73,1,3,0, 244.319, 2

Similar to: 6951320, 35794694, 35850137, 38436684, ... 5 in total.
414647
 
#43

KeyOrganics: 7P-357S
Mcule: MCULE-8944688911
Life Chemicals (Virtual): F0536-0018
Life Chemicals BB Make-on-Demand: F0536-0018
ChEMBL12: CHEMBL1390671...11 total

ref: mol2, SDF, SMILES, flexibase
2.68,8.31,-12.58,0,4,0, 287.388, 2
4223916
 
#44

Life Chemicals BB Make-on-Demand: F0536-0019
ChemDB: 6224136
Life Chemicals (Depleted): F0536-0019
PubChem: 4091839
ref: mol2, SDF, SMILES, flexibase
2.79,-1.97,-10.69,1,4,0, 272.329, 2

Similar to: 4223921, 4224175, 4088241,
4223917
 
#45

Chembo Pharma: KB-299921
Chemstep: 38568
Life Chemicals BB Make-on-Demand: F0536-0020
ChemDB: 6224137
Life Chemicals (Depleted): F0536-0020...6 total

ref: mol2, SDF, SMILES, flexibase
3.10,-1.5,-17.22,1,3,0, 256.33, 2

Similar to: 4224176, 35794694, 35850137, 38264805, 38264807, ... 6 in total.
4223920
 
#46

Life Chemicals (Virtual): F0536-0026
Life Chemicals BB Make-on-Demand: F0536-0026
ChemDB: 7819145
PubChem: 7136375
ref: mol2, SDF, SMILES, flexibase
2.93,-2.8,-12.14,0,4,0, 289.404, 2

Similar to: 4223925,
3479330
 
#47

AKOS: AKOS001471066
Mcule: MCULE-6935705591
UORSY: PB27756097
Life Chemicals (Virtual): F0537-0983
Life Chemicals BB Make-on-Demand: F0537-0983...9 total

ref: mol2, SDF, SMILES, flexibase
3.49,6.47,-13.35,1,4,0, 276.361, 3

Similar to: 4912954, 4912960, 6342384, 6342386, 21812973, ... 8 in total.
36649268
 
#48

Life Chemicals (Virtual): F0537-1019
Life Chemicals BB Make-on-Demand: F0537-1019
Otava (Virtual): 5615926
UORSY Make-on-demand: PB67744285
PubChem: 43952131...6 total

ref: mol2, SDF, SMILES, flexibase
3.47,6.13,-12.75,1,4,0, 276.361, 3

Similar to: 36649269, 36737034, 36737035, 36737064, ... 9 in total.
2638793
 
#49

AKOS: AKOS001041981
Chemstep: 38939
Mcule: MCULE-4018047311
UORSY: PB28374197
Life Chemicals (Virtual): F0537-1195...9 total

ref: mol2, SDF, SMILES, flexibase
3.02,6.27,-12.1,1,3,0, 260.362, 2

Similar to: 37015855, 60625354,
362145
 
#50

eMolecules: 3968428
Molport: MolPort-001-488-500
AKOS: AKOS003235781
Alinda: IBS-0004839
Enamine: Z30199781...20 total

ref: mol2, SDF, SMILES, flexibase
3.46,-1.38,-14.06,1,3,0, 246.335, 2

Similar to: 2057686, 2057687, 5499659, 5705097, ... 4 in total.
425778
 
#51

Life Chemicals BB Make-on-Demand: F0541-0001
ChemDB: 6225642
PubChem: 4202207
ref: mol2, SDF, SMILES, flexibase
0.28,-3.47,-17.19,1,6,0, 271.342, 2
425772
 
#52

Life Chemicals BB Make-on-Demand: F0541-1474
PubChem: 3559874
ref: mol2, SDF, SMILES, flexibase
2.51,8.53,-11.59,1,4,0, 287.388, 2
212286
 
#53

Life Chemicals BB Make-on-Demand: F0561-0208
ChemDB: 6231253
PubChem: 756269
ref: mol2, SDF, SMILES, flexibase
1.54,-1.11,-18.48,1,5,0, 297.424, 3

Similar to: 8553330,
8553330
 
#54

Life Chemicals BB Make-on-Demand: F0561-0208
ChemDB: 6231253
PubChem: 756269
ref: mol2, SDF, SMILES, flexibase
1.54,-1.18,-19.1,1,5,0, 297.424, 3

Similar to: 212273, 212286, 6725005,
213968
 
#55

Life Chemicals BB Make-on-Demand: F0579-0558
ChEMBL12: CHEMBL1544865
ChEMBL19: CHEMBL1544865
ChemDB: 6237249
Collaborative Drug Discovery: 338603...7 total

ref: mol2, SDF, SMILES, flexibase
2.74,8.44,-13.46,0,3,0, 294.376, 2
6505033
 
#56

eMolecules: 2285344
Molport: MolPort-002-104-987
ChemBridge: 9036321
Mcule: MCULE-2340296235
Life Chemicals (Virtual): F0594-1561...12 total

ref: mol2, SDF, SMILES, flexibase
1.11,-2.27,-11.91,1,5,0, 267.285, 4
33741060
 
#57

Life Chemicals (Virtual): F0594-1562
Life Chemicals BB Make-on-Demand: F0594-1562
Otava (Virtual): 4481774
ChemDB: 5413466
PubChem: 5137697...5 total

ref: mol2, SDF, SMILES, flexibase
1.20,0.82,-10.81,1,5,0, 285.275, 4

Similar to: 33794611,
794565
 
#58

AKOS: AKOS000626578
Asinex: BAS05494766
Mcule: MCULE-7071214088
TimTec: ST50370178
UORSY: PB24662151...15 total

ref: mol2, SDF, SMILES, flexibase
0.84,-0.71,-16.24,1,7,0, 293.304, 4
36664506
 
#59

Life Chemicals (Virtual): F0594-1571
Life Chemicals BB Make-on-Demand: F0594-1571
Otava (Virtual): 4481628
PubChem: 43952612
ref: mol2, SDF, SMILES, flexibase
0.81,0.81,-11.64,1,5,0, 281.312, 5
8335135
 
#60

Life Chemicals (Virtual): F0594-1573
Life Chemicals BB Make-on-Demand: F0594-1573
Otava (Virtual): 4481620
PubChem: 40727055
ref: mol2, SDF, SMILES, flexibase
-0.09,-1.12,-12.11,1,6,0, 253.283, 5

Similar to: 8248757, 8248801, 8248806, 8245661, ... 4 in total.
3339088
 
#61

eMolecules: 3131220
Molport: MolPort-004-024-170
Enamine: Z24584800
Mcule: MCULE-1249995331
Life Chemicals (Virtual): F0594-1575...11 total

ref: mol2, SDF, SMILES, flexibase
1.06,-3.68,-12.11,1,5,0, 277.349, 6

Similar to: 8245725, 8245728,
6233894
 
#62

Life Chemicals (Virtual): F0594-1587
Life Chemicals BB Make-on-Demand: F0594-1587
Otava (Virtual): 4481691
ChemDB: 5393335
PubChem: 3277037...5 total

ref: mol2, SDF, SMILES, flexibase
1.40,-2.7,-11.52,1,5,0, 263.322, 4

Similar to: 6268785, 6320458, 6547797, 6547799, 33583413, ... 7 in total.
6525875
 
#63

Life Chemicals (Virtual): F0594-1589
Life Chemicals BB Make-on-Demand: F0594-1589
Otava (Virtual): 4481729
PubChem: 21215168
AKOS (make-on-demand): AKOS003205895...5 total

ref: mol2, SDF, SMILES, flexibase
1.01,-3.01,-12.99,1,6,0, 279.321, 5

Similar to: 33698666, 33785211, 6223761, 6359395, 6451333, ... 5 in total.
36664509
 
#64

Life Chemicals (Virtual): F0594-1590
Life Chemicals BB Make-on-Demand: F0594-1590
Otava (Virtual): 4481731
ChemDB: 5409708
PubChem: 3879945...5 total

ref: mol2, SDF, SMILES, flexibase
1.38,0.85,-12.71,1,6,0, 293.348, 6

Similar to: 33785211, 6223761, 6451333,
6223759
 
#65

Life Chemicals (Virtual): F0594-1593
Life Chemicals BB Make-on-Demand: F0594-1593
Otava (Virtual): 4481744
ChemDB: 5408809
PubChem: 4006110...5 total

ref: mol2, SDF, SMILES, flexibase
0.85,-2.64,-17.59,1,6,0, 291.332, 5

Similar to: 6320458, 6320460, 33583413,
36664513
 
#66

Life Chemicals (Virtual): F0594-1598
Life Chemicals BB Make-on-Demand: F0594-1598
Otava (Virtual): 4481742
PubChem: 43952615
ref: mol2, SDF, SMILES, flexibase
-0.23,-2.58,-19.87,3,7,0, 292.32, 5

Similar to: 6320458,
4264233
 
#67

Life Chemicals (Virtual): F0600-0080
Life Chemicals BB Make-on-Demand: F0600-0080
ChemDB: 6243351
PubChem: 4093774
ref: mol2, SDF, SMILES, flexibase
2.02,0.12,-11.54,1,5,0, 298.27, 2

Similar to: 7655559,
4264282
 
#68

Life Chemicals (Virtual): F0600-0731
Life Chemicals BB Make-on-Demand: F0600-0731
ChemDB: 6243999
PubChem: 4065857
ref: mol2, SDF, SMILES, flexibase
3.67,-0.55,-10.54,1,4,0, 292.747, 2
36695318
 
#69

Life Chemicals (Virtual): F0600-2097
Life Chemicals BB Make-on-Demand: F0600-2097
PubChem: 43989007
ref: mol2, SDF, SMILES, flexibase
3.57,7.26,-17.78,1,3,0, 264.325, 2
24553134
 
#70

eMolecules: 18864445
Enamine: Z67685193
Mcule: MCULE-7013416875
Life Chemicals (Virtual): F0600-2261
Life Chemicals BB Make-on-Demand: F0600-2261...8 total

ref: mol2, SDF, SMILES, flexibase
2.72,5.35,-15.39,1,5,0, 284.344, 2
hi: mol2, SDF, SMILES, flexibase
2.79,4.17,-50.37,0,5,-1, 283.336, 2

Similar to: 26288150, 26288607,
23268598
 
#71

Life Chemicals (Virtual): F0600-2262
Life Chemicals BB Make-on-Demand: F0600-2262
PubChem: 30969436
ref: mol2, SDF, SMILES, flexibase
3.52,7.53,-12.44,1,3,0, 260.362, 2

Similar to: 31886498,
36695486
 
#72

Life Chemicals (Virtual): F0600-2289
Life Chemicals BB Make-on-Demand: F0600-2289
PubChem: 43989172
ref: mol2, SDF, SMILES, flexibase
2.73,4.8,-14.88,1,5,0, 292.36, 4
36695515
 
#73

Life Chemicals (Virtual): F0600-2315
Life Chemicals BB Make-on-Demand: F0600-2315
PubChem: 43989198
ref: mol2, SDF, SMILES, flexibase
2.72,5.32,-14.36,1,5,0, 284.344, 2

Similar to: 26288150, 26288607,
36695577
 
#74

Life Chemicals (Virtual): F0600-2371
Life Chemicals BB Make-on-Demand: F0600-2371
BindingDB.org: 50420092
ChEMBL19: CHEMBL2057385
PubChem: 43989254...5 total

ref: mol2, SDF, SMILES, flexibase
3.13,6.53,-18.13,1,4,0, 276.361, 3
36695581
 
#75

Life Chemicals (Virtual): F0600-2375
Life Chemicals BB Make-on-Demand: F0600-2375
PubChem: 43989258
ref: mol2, SDF, SMILES, flexibase
2.89,7.28,-17.04,1,4,0, 290.319, 2
36695589
 
#76

Life Chemicals (Virtual): F0600-2380
Life Chemicals BB Make-on-Demand: F0600-2380
PubChem: 43989263
ref: mol2, SDF, SMILES, flexibase
2.55,4.84,-14.84,1,5,0, 294.336, 2
hi: mol2, SDF, SMILES, flexibase
2.62,3.13,-43.18,0,5,-1, 293.328, 2
36695606
 
#77

Life Chemicals (Virtual): F0600-2397
Life Chemicals BB Make-on-Demand: F0600-2397
PubChem: 43989280
ref: mol2, SDF, SMILES, flexibase
2.03,4.1,-17.72,1,5,0, 274.28, 2
hi: mol2, SDF, SMILES, flexibase
2.10,2.36,-57.17,0,5,-1, 273.272, 2
36695607
 
#78

Life Chemicals (Virtual): F0600-2398
Life Chemicals BB Make-on-Demand: F0600-2398
PubChem: 43989281
ref: mol2, SDF, SMILES, flexibase
2.83,6.67,-17.87,1,3,0, 250.298, 2
9313952
 
#79

eMolecules: 11876926
Molport: MolPort-003-351-734
AKOS: AKOS001315941
Enamine: Z27896318
Mcule: MCULE-4767209636...12 total

ref: mol2, SDF, SMILES, flexibase
2.15,-1.37,-9.25,1,5,0, 292.27, 2
6342823
 
#80

eMolecules: 2888862
Molport: MolPort-005-531-613
Enamine: Z27896330
Mcule: MCULE-2305217051
Life Chemicals (Virtual): F0600-2425...9 total

ref: mol2, SDF, SMILES, flexibase
2.95,-0.11,-8.16,1,3,0, 268.288, 2
4264457
 
#81

Life Chemicals BB Make-on-Demand: F0608-0207
ChemDB: 6245640
Collaborative Drug Discovery: 1366665
Life Chemicals (Depleted): F0608-0207
PubChem: 4139860...5 total

ref: mol2, SDF, SMILES, flexibase
-0.87,-1.27,-17.57,1,7,0, 237.215, 3
4264460
 
#82

Life Chemicals BB Make-on-Demand: F0608-0209
ChemDB: 6245642
Life Chemicals (Depleted): F0608-0209
PubChem: 4162219
ref: mol2, SDF, SMILES, flexibase
-0.62,-1.37,-17.54,1,7,0, 239.231, 3

Similar to: 4107212,
4107211
 
#83

Life Chemicals BB Make-on-Demand: F0608-0210
ChEMBL12: CHEMBL1462431
ChEMBL19: CHEMBL1462431
ChemDB: 6245643
Collaborative Drug Discovery: 223405...7 total

ref: mol2, SDF, SMILES, flexibase
0.21,-0.49,-18.29,1,7,0, 253.258, 5
4107212
 
#84

Life Chemicals BB Make-on-Demand: F0608-0211
ChemDB: 6245644
Collaborative Drug Discovery: 1366687
Life Chemicals (Depleted): F0608-0211
PubChem: 5205210...5 total

ref: mol2, SDF, SMILES, flexibase
-0.04,-2.33,-17.09,1,7,0, 253.258, 3

Similar to: 4264460,
4107213
 
#85

Life Chemicals BB Make-on-Demand: F0608-0212
ChemDB: 6245645
Life Chemicals (Depleted): F0608-0212
PubChem: 4618881
ref: mol2, SDF, SMILES, flexibase
0.37,-2.67,-16.76,1,7,0, 287.275, 3
4264463
 
#86

Life Chemicals BB Make-on-Demand: F0608-0215
ChemDB: 6245648
Life Chemicals (Depleted): F0608-0215
PubChem: 4199183
ref: mol2, SDF, SMILES, flexibase
0.09,-2.26,-22.1,1,7,0, 291.238, 3

Similar to: 4264471,
4264472
 
#87

Life Chemicals BB Make-on-Demand: F0608-0226
ChemDB: 6245659
Life Chemicals (Depleted): F0608-0226
PubChem: 4078879
ref: mol2, SDF, SMILES, flexibase
-0.30,-1.27,-18.14,1,7,0, 239.231, 4
4107302
 
#88

Life Chemicals BB Make-on-Demand: F0608-0483
ChemDB: 6245906
Collaborative Drug Discovery: 1366634
Life Chemicals (Depleted): F0608-0483
PubChem: 4431236...5 total

ref: mol2, SDF, SMILES, flexibase
2.08,-1.09,-19.49,1,6,0, 273.223, 3

Similar to: 4264626,
4107325
 
#89

Life Chemicals BB Make-on-Demand: F0608-0516
ChemDB: 6245939
Collaborative Drug Discovery: 1361215
Life Chemicals (Depleted): F0608-0516
PubChem: 4423483...5 total

ref: mol2, SDF, SMILES, flexibase
0.37,-2.05,-18.92,1,8,0, 263.209, 3
4265011
 
#90

Life Chemicals BB Make-on-Demand: F0608-1019
ChemDB: 6246381
Collaborative Drug Discovery: 1374686
Life Chemicals (Depleted): F0608-1019
PubChem: 4616785...5 total

ref: mol2, SDF, SMILES, flexibase
1.87,-2.27,-19.05,1,6,0, 284.25, 3

Similar to: 4265020, 4265027, 6476713, 33828444, ... 4 in total.
38479016
 
#91

Life Chemicals BB Make-on-Demand: F0608-1211
Life Chemicals (Depleted): F0608-1211
PubChem: 45505722
ref: mol2, SDF, SMILES, flexibase
2.22,1.61,-16.98,1,6,0, 291.213, 3
hi: mol2, SDF, SMILES, flexibase
2.29,-0.52,-46.92,0,6,-1, 290.205, 3
38479029
 
#92

Life Chemicals BB Make-on-Demand: F0608-1253
Life Chemicals (Depleted): F0608-1253
PubChem: 45505735
ref: mol2, SDF, SMILES, flexibase
2.22,1.63,-17.95,1,6,0, 291.213, 3
hi: mol2, SDF, SMILES, flexibase
2.29,-0.06,-50.47,0,6,-1, 290.205, 3

Similar to: 4264626,
38479031
 
#93

Life Chemicals BB Make-on-Demand: F0608-1256
Life Chemicals (Depleted): F0608-1256
PubChem: 45505737
ref: mol2, SDF, SMILES, flexibase
2.03,1.05,-15.05,1,6,0, 247.254, 3
hi: mol2, SDF, SMILES, flexibase
2.22,-0.69,-51.61,0,6,-1, 246.246, 3

Similar to: 4107311,
38479033
 
#94

Life Chemicals BB Make-on-Demand: F0608-1259
Life Chemicals (Depleted): F0608-1259
PubChem: 45505738
ref: mol2, SDF, SMILES, flexibase
2.79,2.81,-14.73,1,6,0, 283.287, 3
hi: mol2, SDF, SMILES, flexibase
2.86,0.68,-55.58,0,6,-1, 282.279, 3

Similar to: 4107243, 6426036, 6472491,
38479043
 
#95

Life Chemicals BB Make-on-Demand: F0608-1292
Life Chemicals (Depleted): F0608-1292
PubChem: 45505748
ref: mol2, SDF, SMILES, flexibase
2.33,2.71,-19.75,1,7,0, 299.286, 5
hi: mol2, SDF, SMILES, flexibase
2.52,-0.32,-51.76,0,7,-1, 298.278, 5

Similar to: 3446644,
38479044
 
#96

Life Chemicals BB Make-on-Demand: F0608-1295
Life Chemicals (Depleted): F0608-1295
PubChem: 45505749
ref: mol2, SDF, SMILES, flexibase
2.36,2.67,-20.18,1,7,0, 299.286, 5
hi: mol2, SDF, SMILES, flexibase
2.54,-0.4,-51.92,0,7,-1, 298.278, 5

Similar to: 3446644,
38479045
 
#97

Life Chemicals BB Make-on-Demand: F0608-1298
Life Chemicals (Depleted): F0608-1298
PubChem: 45505750
ref: mol2, SDF, SMILES, flexibase
2.38,2.67,-19.97,1,7,0, 299.286, 5
hi: mol2, SDF, SMILES, flexibase
2.57,-0.4,-51.6,0,7,-1, 298.278, 5

Similar to: 3446644,
38479047
 
#98

Life Chemicals BB Make-on-Demand: F0608-1304
Life Chemicals (Depleted): F0608-1304
PubChem: 45505752
ref: mol2, SDF, SMILES, flexibase
2.48,2.82,-17.58,1,6,0, 283.287, 4
hi: mol2, SDF, SMILES, flexibase
2.67,0.9,-50.72,0,6,-1, 282.279, 4
38479051
 
#99

Life Chemicals BB Make-on-Demand: F0608-1321
Life Chemicals (Depleted): F0608-1321
PubChem: 45505756
ref: mol2, SDF, SMILES, flexibase
1.35,1.08,-14.05,1,7,0, 273.248, 3
hi: mol2, SDF, SMILES, flexibase
1.42,-0.35,-54.4,0,7,-1, 272.24, 3
38479052
 
#100

eMolecules: 37104169
Molport: MolPort-023-211-630
Life Chemicals: F0608-1322
Mcule: MCULE-9065020859
Life Chemicals BB Make-on-Demand: F0608-1322...9 total

ref: mol2, SDF, SMILES, flexibase
2.11,1.48,-22.4,2,7,0, 294.27, 3
hi: mol2, SDF, SMILES, flexibase
2.18,-0.51,-58.5,1,7,-1, 293.262, 3

Similar to: 6422245,

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 = 496 ) limit 0,100

Smiles were