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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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Structure

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17029914
 
#1

NCI Plated 2007: 152766
ref: mol2, SDF, SMILES, flexibase
1.04,1.81,-6.77,1,5,0, 256.298, 2

Similar to: 34557572, 34558253, 34589570, 34589572, 34599240, ... 15 in total.
17029912
 
#2

NCI Plated 2007: 152762
ref: mol2, SDF, SMILES, flexibase
1.27,10.24,-17,0,9,0, 392.426, 12

Similar to: 34328857, 16976932, 16976938, 5120800, 5120801, ... 5 in total.
17029911
 
#3

NCI Plated 2007: 152761
ref: mol2, SDF, SMILES, flexibase
2.10,10.5,-12.59,0,7,0, 394.511, 12

Similar to: 34561986, 34561987, 16976919, 16976923, 16976928, ... 6 in total.
6223661
 
#4

NCI Plated 2007: 152748
ChemDB: 5163434
PubChem: 4012572
ref: mol2, SDF, SMILES, flexibase
-1.06,-10.25,-6.87,6,9,0, 199.174, 3

Similar to: 25492516, 25493745,
1560212
 
#5

NCI Plated 2007: 152747
ref: mol2, SDF, SMILES, flexibase
1.26,6.6,-44,1,4,1, 226.344, 2

Similar to: 12402901, 12417074, 1560211,
12417074
 
#6

NCI Plated 2007: 152746
ChemDB: 5163430
PubChem: 24193508, 423351
SureChEMBL: SCHEMBL11774665
ref: mol2, SDF, SMILES, flexibase
1.19,-1.07,-43.08,2,4,1, 198.29, 1

Similar to: 1560211, 1560212, 12402901,
1735422
 
#7

American Custom Chemicals Corp.: HCH0007102
Chembo Pharma: KB-252084
NCI Plated 2007: 201575
Apollo Scientific (Depleted): OR25886
ChemDB: 4731929...8 total

ref: mol2, SDF, SMILES, flexibase
3.20,-0.75,-10.31,1,4,0, 297.152, 5

Similar to: 5328114, 17023053, 17023055,
1735419
 
#8

NCI Plated 2007: 201572
ChemDB: 5187187
PubChem: 304866
ref: mol2, SDF, SMILES, flexibase
5.22,-4.47,-14.55,1,7,0, 444.582, 7
6491145
 
#9

eMolecules: 5775177
Molport: MolPort-002-909-625
Maybridge: ML00375
NCI Plated 2007: 201571
ChemDB: 4766199...6 total

ref: mol2, SDF, SMILES, flexibase
0.72,6.57,-18.14,3,5,0, 300.387, 5

Similar to: 13555055,
1735416
 
#10

NCI Plated 2007: 201569
ChemDB: 5187183
ref: mol2, SDF, SMILES, flexibase
2.18,-3.26,-16.72,3,6,0, 299.33, 4

Similar to: 17023050,
4276683
 
#11

AKOS: AKOS001110543
Chembo Pharma: KB-147311
EvoBlocks: EB23149
Mcule: MCULE-7038320612
Molport BB: MolPort-001-773-829...13 total

ref: mol2, SDF, SMILES, flexibase
5.49,3.8,-6.63,0,1,0, 268.331, 4

Similar to: 17023044, 32128303, 32128304,
5328111
 
#12

NCI Plated 2007: 201566
PubChem: 5383862
ref: mol2, SDF, SMILES, flexibase
6.31,1.77,-6.36,0,1,0, 337.29, 3

Similar to: 5328112, 6428343, 17023040, 17023042, 34370801, ... 7 in total.
5328108
 
#13

eMolecules: 36517451
Molport: MolPort-004-338-469
AKOS: AKOS000180729
Mcule: MCULE-6468472751
NCI Plated 2007: 201565...14 total

ref: mol2, SDF, SMILES, flexibase
0.51,6.29,-16.55,0,3,0, 200.241, 1

Similar to: 5916115, 6341704, 36459535, 36459536, 41672009, ... 5 in total.
1735410
 
#14

NCI Plated 2007: 201564
ChemDB: 5187176
PubChem: 304858, 54610598
ref: mol2, SDF, SMILES, flexibase
3.48,-1.29,-8.05,1,3,0, 320.186, 0

Similar to: 17023037, 38557418,
143756
 
#15

eMolecules: 5844984
Molport: MolPort-002-897-536
AKOS: AKOS005138066
Maybridge: DP00171
Mcule: MCULE-6593275061...16 total

ref: mol2, SDF, SMILES, flexibase
1.60,5.48,-16.59,1,3,0, 208.648, 2
5280554
 
#16

NCI Plated 2007: 201562
BindingDB.org: 50363155
ChEMBL19: CHEMBL1946997
ChemDB: 5187174
PubChem: 304856...7 total

ref: mol2, SDF, SMILES, flexibase
5.97,2.49,-10.65,0,1,0, 308.38, 3

Similar to: 6345276, 17023034, 34828417,
5580693
 
#17

eMolecules: 5781539
Molport: MolPort-002-912-015
Maybridge: RB00077
NCI Plated 2007: 201560
Otava (Virtual): 10124243...9 total

ref: mol2, SDF, SMILES, flexibase
1.59,2.87,-15.28,3,3,0, 264.272, 6
hi: mol2, SDF, SMILES, flexibase
2.27,2.45,-38.09,2,3,-1, 263.264, 5
71183
 
#18

eMolecules: 3983392
Molport: MolPort-001-017-900
Scientific Exchange (make on demand): POD_99/0727
AKOS: AKOS001649176
ChemDiv: 3720-2620...17 total

ref: mol2, SDF, SMILES, flexibase
3.62,-0.88,-8.24,1,4,0, 286.718, 3

Similar to: 644760, 1726801, 3196200,
143838
 
#19

eMolecules: 5809901
Molport: MolPort-002-897-557
Maybridge: DP00481
Maybridge Hit Finder: DP00481
NCI Plated 2007: 201558...11 total

ref: mol2, SDF, SMILES, flexibase
1.44,5.17,-15.55,1,3,0, 208.305, 2

Similar to: 4323529, 4323530, 5898678, 37996273, ... 4 in total.
5328104
 
#20

NCI Plated 2007: 201556
ChemDB: 5187168
PubChem: 304850, 5383860
ref: mol2, SDF, SMILES, flexibase
5.92,2.57,-6.48,0,1,0, 305.204, 3

Similar to: 6432938, 17023028, 32118414,
138614
 
#21

eMolecules: 1107503
Scientific Exchange (make on demand): X-012308
AK Scientific: HTS001510, 6427AE
AKOS: AKOS000115300
Alinda: IVK/9123276...42 total

ref: mol2, SDF, SMILES, flexibase
-0.47,2.12,-15.91,1,4,0, 164.164, 3

Similar to: 35837354, 44808736, 44808737, 44808740, 44808741, ... 5 in total.
5189579
 
#22

eMolecules: 21134321
Scientific Exchange (make on demand): T-073335
AKOS: AKOS002702860
EvoBlocks: EB23545
Mcule: MCULE-7831476882...14 total

ref: mol2, SDF, SMILES, flexibase
7.12,3.6,-8.18,0,1,0, 326.439, 5

Similar to: 5328103, 6313489, 33794106, 33794107, ... 4 in total.
4276697
 
#23

Chembo Pharma: KB-146983
NCI Plated 2007: 201551
Apollo Scientific (Depleted): OR21079
ChemDB: 4727709
PubChem: 5708434...7 total

ref: mol2, SDF, SMILES, flexibase
6.36,4.76,-6.12,0,2,0, 336.475, 4

Similar to: 17023025, 32107534,
143840
 
#24

eMolecules: 5810620
Molport: MolPort-002-897-558
Maybridge: DP00485
Maybridge Hit Finder: DP00485
NCI Plated 2007: 201550...10 total

ref: mol2, SDF, SMILES, flexibase
-0.49,2.98,-20.74,1,4,0, 189.218, 4
lo: mol2, SDF, SMILES, flexibase
-0.49,3.26,-47.71,2,4,1, 190.226, 4

Similar to: 34674327, 41708509, 44812497, 44812500, 44812512, ... 5 in total.
143752
 
#25

eMolecules: 1557363
Scientific Exchange (make on demand): X-037217
AKOS: AKOS000115305
Enamine Building Blocks: EN300-01348
Innovapharm: STT-00144550...29 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.4,-17.34,1,3,0, 188.23, 2

Similar to: 44810747, 44810749, 44811585, 44811587, ... 4 in total.
1735404
 
#26

Scientific Exchange (make on demand): M-447607
American Custom Chemicals Corp.: HCH0108587
NCI Plated 2007: 201546
ChemDB: 5187162
PubChem: 59993999...7 total

ref: mol2, SDF, SMILES, flexibase
1.91,-2.73,-7.6,2,5,0, 311.135, 3

Similar to: 2772902, 17023019,
4276681
 
#27

Molport: MolPort-001-761-419
Scientific Exchange (make on demand): T-027301
Aldrich CPR: S517097|ALDRICH
American Custom Chemicals Corp.: NEW0109503
Chembo Pharma: KB-147428...20 total

ref: mol2, SDF, SMILES, flexibase
5.24,2.69,-9.62,0,1,0, 272.347, 3

Similar to: 6338285, 6345276, 6410705, 17023016, 40144966, ... 5 in total.
71187
 
#28

eMolecules: 3983388
Molport: MolPort-001-017-899
Scientific Exchange (make on demand): POD_99/0712
AKOS: AKOS002968831
Alinda: IBS-L0016019...20 total

ref: mol2, SDF, SMILES, flexibase
3.65,-1.03,-9.04,1,4,0, 286.718, 3

Similar to: 644760, 3196200, 32191949,
110973
 
#29

eMolecules: 1478696
AK Scientific: HTS028347
AKOS: AKOS000248180
Alinda: IBS-B0017505
Alinda Building Blocks: ALBB-017505...41 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.5,-11.3,0,5,0, 217.18, 1
1735403
 
#30

Aldrich CPR: PH010750|ALDRICH
NCI Plated 2007: 201542
ChEMBL19: CHEMBL2141700
ChemDB: 5187160
PubChem: 304836...7 total

ref: mol2, SDF, SMILES, flexibase
2.96,0.09,-4.7,1,2,0, 246.257, 3
1323700
 
#31

NCI Plated 2007: 201540
ChemDB: 4777073
PubChem: 426771
ref: mol2, SDF, SMILES, flexibase
5.86,1.08,-10.93,2,3,0, 399.515, 7

Similar to: 1323701,
71157
 
#32

eMolecules: 3347361
AKOS: AKOS001093293
Enamine: Z57982998
Labotest: LT00436899
Maybridge: RB00019...19 total

ref: mol2, SDF, SMILES, flexibase
3.33,9.13,-13.37,0,4,0, 311.724, 3
67484
 
#33

eMolecules: 723461
AK Scientific: Y8306
Aldrich CPR: S527351|ALDRICH
BioSynth: W-206707
Chembo Pharma: KB-180439...31 total

ref: mol2, SDF, SMILES, flexibase
3.10,2.83,-21.08,0,3,0, 257.072, 1

Similar to: 195513, 39953723,
1735397
 
#34

NCI Plated 2007: 201535
ChemDB: 6620765
PubChem: 3445529
ref: mol2, SDF, SMILES, flexibase
4.82,-0.26,-15.76,2,5,0, 419.978, 5

Similar to: 1735398, 6469917, 6469918, 6469919, 6483518, ... 6 in total.
4276693
 
#35

Chembo Pharma: KB-146982
NCI Plated 2007: 201534
Apollo Scientific (Depleted): OR21071
ChemDB: 4727703
PubChem: 5708431...7 total

ref: mol2, SDF, SMILES, flexibase
8.27,4.44,-7.45,0,1,0, 396.574, 4

Similar to: 17023014,
17023010
 
#36

Molport: MolPort-019-738-359
Lab Seeker Building Blocks: SC-57312
NCI Plated 2007: 201532
StruChem BB make-on-demand: SC-57312
ChemDB: 5187156...9 total

ref: mol2, SDF, SMILES, flexibase
2.25,2.02,-43.24,1,4,-1, 211.2, 0
lo: mol2, SDF, SMILES, flexibase
2.25,0.91,-13.67,2,4,0, 212.208, 0

Similar to: 34454657, 35898586, 39259916,
6490918
 
#37

NCI Plated 2007: 201531
ref: mol2, SDF, SMILES, flexibase
4.55,2.67,-9.63,0,3,0, 336.338, 2
3120176
 
#38

NCI Plated 2007: 201529
ChemDB: 6620366
PubChem: 304825, 5815139
ref: mol2, SDF, SMILES, flexibase
1.53,0.28,-8.37,3,4,0, 222.631, 2

Similar to: 44258361, 44258400, 44259786, 44261689, ... 5 in total.
13835935
 
#39

eMolecules: 5781434
Molport: MolPort-002-912-008, MolPort-019-780-250
Maybridge: RB00017
Mcule: MCULE-5724738405
Molport BB: MolPort-002-912-008...19 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.54,-7.1,1,2,0, 212.705, 1
47640
 
#40

eMolecules: 22414003
Molport: MolPort-002-046-013
AKOS: AKOS002263842
American Custom Chemicals Corp.: NEW0092345
Asinex: BAS00127082...18 total

ref: mol2, SDF, SMILES, flexibase
3.18,1.78,-14.04,0,5,0, 291.262, 1

Similar to: 1513511, 1513514, 1513686, 33759877, 33759878, ... 6 in total.
17023007
 
#41

NCI Plated 2007: 201525
ChemDB: 5187153
PubChem: 304822, 5882530
ref: mol2, SDF, SMILES, flexibase
4.92,10.61,-14.05,1,5,0, 353.418, 9

Similar to: 1735389,
71201
 
#42

American Custom Chemicals Corp.: HCH0108499
Maybridge: RB00049
NCI Plated 2007: 201523
Innovapharm Make-on-Demand: VT-00368155
ChemDB: 4769231...7 total

ref: mol2, SDF, SMILES, flexibase
1.53,-3.38,-12.66,2,5,0, 297.108, 2
6576270
 
#43

NCI Plated 2007: 201520
SureChEMBL: SCHEMBL3964132
ref: mol2, SDF, SMILES, flexibase
2.89,5,-8.67,3,4,0, 238.246, 1

Similar to: 39280498,
248797
 
#44

eMolecules: 1199908
Molport: MolPort-001-889-642
AKOS: AKOS000567893
ChemDiv: 1445-0144
Mcule: MCULE-2117006731...14 total

ref: mol2, SDF, SMILES, flexibase
2.42,-1.75,-17.61,3,5,0, 309.369, 5

Similar to: 17023004,
1735381
 
#45

NCI Plated 2007: 201516
ChemDB: 5187146
PubChem: 304814
ref: mol2, SDF, SMILES, flexibase
6.00,15.46,-3.83,0,2,0, 320.48, 2

Similar to: 34593119,
67467
 
#46

eMolecules: 518753
Acros Organics: BTB01061
AK Scientific: Y8307
AKOS: AKOS000266517
Aldrich CPR: S527343|ALDRICH...59 total

ref: mol2, SDF, SMILES, flexibase
2.63,2.31,-19.12,0,3,0, 267.078, 1

Similar to: 2583695, 34531743, 34598362,
1735380
 
#47

eMolecules: 526167
Molport: MolPort-003-938-113
Scientific Exchange (make on demand): F-394641
AK Scientific: V6221
Alinda: IBS-L0131772...31 total

ref: mol2, SDF, SMILES, flexibase
1.85,2.53,-10.46,3,3,0, 219.071, 1
1515605
 
#48

eMolecules: 6178453
Molport: MolPort-003-722-035
Ark Pharm Building Blocks: AK-24301
Maybridge: PHG00461
NCI Plated 2007: 201513...8 total

ref: mol2, SDF, SMILES, flexibase
1.95,0.53,-8.31,1,4,0, 282.093, 1

Similar to: 5832913, 6262376, 6262378,
8579307
 
#49

eMolecules: 49400841, 5789416
Molport: MolPort-019-965-387
AKOS: AKOS005700317
Aldrich CPR: S849197|ALDRICH
Maybridge: S01027...25 total

ref: mol2, SDF, SMILES, flexibase
1.09,-1.26,-44.42,1,4,-1, 161.14, 0
lo: mol2, SDF, SMILES, flexibase
1.09,-2.06,-11.35,2,4,0, 162.148, 0

Similar to: 34454657, 35898586,
17022999
 
#50

NCI Plated 2007: 201510
ChemDB: 5187142
PubChem: 304809
ref: mol2, SDF, SMILES, flexibase
4.42,10.47,-19.78,2,6,0, 416.477, 8

Similar to: 1735378, 5336139,
280102
 
#51

eMolecules: 832978
AK Scientific: 4400AE
AKOS: AKOS000132816
Aldrich CPR: CDS001909|ALDRICH
Ark Pharm Building Blocks: AK125305...44 total

ref: mol2, SDF, SMILES, flexibase
2.08,-1.07,-7.2,2,2,0, 158.204, 0

Similar to: 5765141, 34424880, 34571623, 37101432, ... 4 in total.
1735375
 
#52

eMolecules: 2866174
Molport: MolPort-002-468-650
Enamine: Z85923123
Enamine Building Blocks: EN300-12827
Maybridge: RB00135...27 total

ref: mol2, SDF, SMILES, flexibase
3.79,5.83,-37.7,1,3,-1, 242.736, 2

Similar to: 7718462, 13796924, 98046, 130725, ... 4 in total.
1735374
 
#53

NCI Plated 2007: 201505
ChemDB: 5187137
PubChem: 304805
ref: mol2, SDF, SMILES, flexibase
2.83,1.56,-13.1,0,6,0, 313.309, 4

Similar to: 39242307,
301777
 
#54

eMolecules: 19038400
AKOS: AKOS000520808
Asinex: BAS00659043
Florida Heterocyclic Compounds: 18739
IBScreen: STOCK2S-20217...19 total

ref: mol2, SDF, SMILES, flexibase
3.33,2.24,-10.9,0,5,0, 323.348, 5

Similar to: 8180015,
5011914
 
#55

NCI Plated 2007: 201503
ChemDB: 5187136
PubChem: 304803
ref: mol2, SDF, SMILES, flexibase
4.26,10.39,-10.93,2,5,0, 424.909, 5
71274
 
#56

eMolecules: 1874245
Scientific Exchange (make on demand): F-325191
AK Scientific: 8261AE
AKOS: AKOS000116744
Alinda: IBS-B0017525...54 total

ref: mol2, SDF, SMILES, flexibase
1.59,6.22,-8.37,0,3,0, 201.225, 3

Similar to: 6095291,
1735369
 
#57

NCI Plated 2007: 201498
ChemDB: 5187133
PubChem: 304799
ref: mol2, SDF, SMILES, flexibase
3.49,1.41,-10.14,0,6,0, 347.754, 4
136689
 
#58

Molport: MolPort-001-025-367
Scientific Exchange (make on demand): Z-097925
Mcule: MCULE-4435455085
NCI Plated 2007: 201497
Princeton BioMolecular Research: OSSL_822372...19 total

ref: mol2, SDF, SMILES, flexibase
2.57,-2.96,-8.92,2,4,0, 338.201, 1
1735368
 
#59

eMolecules: 829377
Molport: MolPort-000-869-371
Enamine Building Blocks: EN300-03396
Innovapharm Building Blocks: BBS-00000614
Maybridge: RB00138...22 total

ref: mol2, SDF, SMILES, flexibase
3.96,6.54,-42.8,1,3,-1, 236.345, 2

Similar to: 44241624,
5498942
 
#60

eMolecules: 5848296
Molport: MolPort-002-917-207
Maybridge: S02898
NCI Plated 2007: 201494
Otava (Virtual): 10119653...7 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.71,-16.81,3,3,0, 238.356, 6

Similar to: 40176400, 4361884,
1735364
 
#61

eMolecules: 1099354
Molport: MolPort-001-834-043
Aldrich CPR: S649414|ALDRICH
Maybridge: S02844
NCI Plated 2007: 201491...8 total

ref: mol2, SDF, SMILES, flexibase
7.56,-1.51,-10.03,0,2,0, 370.587, 4

Similar to: 1573517,
1735363
 
#62

eMolecules: 829393
Molport: MolPort-000-869-380
Enamine: Z56845050
Enamine Building Blocks: EN300-03418
Innovapharm Building Blocks: BBS-00000628...24 total

ref: mol2, SDF, SMILES, flexibase
3.99,6.67,-42.69,1,3,-1, 236.345, 2

Similar to: 5889450,
1735362
 
#63

NCI Plated 2007: 201488
ChemDB: 5187129
PubChem: 304790
ref: mol2, SDF, SMILES, flexibase
2.69,0.11,-10.79,0,2,0, 241.312, 1
5498941
 
#64

eMolecules: 5785685
Molport: MolPort-002-917-205
Maybridge: S02850
NCI Plated 2007: 201487
ChEMBL19: CHEMBL1996258...7 total

ref: mol2, SDF, SMILES, flexibase
3.89,9.49,-24.08,2,3,0, 298.411, 5
1735361
 
#65

NCI Plated 2007: 201486
ChemDB: 5187128
PubChem: 304788
ref: mol2, SDF, SMILES, flexibase
3.26,1.88,-12.9,0,6,0, 327.336, 4

Similar to: 39242307,
5552508
 
#66

eMolecules: 5786022
Molport: MolPort-002-917-201
Maybridge: S02842
NCI Plated 2007: 201485
ChEMBL19: CHEMBL1977952...7 total

ref: mol2, SDF, SMILES, flexibase
3.58,9.75,-24.21,2,3,0, 298.411, 4
13281647
 
#67

NCI Plated 2007: 201484
ChEMBL19: CHEMBL2359681
ChemDB: 5187126
PubChem: 3936092
ref: mol2, SDF, SMILES, flexibase
1.06,5.32,-21.16,2,7,0, 361.423, 8
lo: mol2, SDF, SMILES, flexibase
1.06,5.6,-58.92,3,7,1, 362.431, 8
6484349
 
#68

AK Scientific: 9830AC
Chembo Pharma: KB-08105
Fluorochem: 019023
Labotest: LT03497940
Matrix Scientific: 056835...16 total

ref: mol2, SDF, SMILES, flexibase
2.18,5.46,-12.57,3,2,0, 194.303, 2
4276678
 
#69

Molport: MolPort-001-510-290
Scientific Exchange (make on demand): K-046690
AKOS: AKOS000593583
Aldrich CPR: S739979|ALDRICH
Asinex: BAS00687500...19 total

ref: mol2, SDF, SMILES, flexibase
4.88,1.53,-11.73,0,3,0, 302.329, 3

Similar to: 7740974, 7742471, 17022982,
4252641
 
#70

eMolecules: 920784
Molport: MolPort-001-761-428
Scientific Exchange (make on demand): T-027295
AKOS: AKOS001111957
Aldrich CPR: IDF00145|ALDRICH...27 total

ref: mol2, SDF, SMILES, flexibase
3.89,3.36,-12.04,0,4,0, 312.365, 6

Similar to: 5328088, 5839288, 8322489, 12418459, 33742070, ... 5 in total.
1735351
 
#71

NCI Plated 2007: 201478
ChemDB: 5187123
PubChem: 304781, 5383853
ref: mol2, SDF, SMILES, flexibase
3.83,0.14,-13.83,1,4,0, 301.777, 4

Similar to: 17022980, 31723484,
1735348
 
#72

NCI Plated 2007: 201476
ChemDB: 5187122
PubChem: 9554808, 5952457, 304779
ref: mol2, SDF, SMILES, flexibase
3.95,-0.17,-13.96,1,5,0, 376.254, 5

Similar to: 17022978,
6514546
 
#73

NCI Plated 2007: 201474
ChEMBL19: CHEMBL2357080
ChemDB: 5187120
PubChem: 4013254
ref: mol2, SDF, SMILES, flexibase
1.43,5.17,-24.54,1,3,0, 206.27, 3
4276685
 
#74

Chembo Pharma: KB-176747
EvoBlocks: EB23394
Molport BB: MolPort-003-698-506
NCI Plated 2007: 201471
Apollo Scientific (Depleted): OR21062...11 total

ref: mol2, SDF, SMILES, flexibase
4.53,1.99,-9.72,0,3,0, 280.323, 3

Similar to: 8322546, 8322606, 17022972,
5210650
 
#75

Scientific Exchange (make on demand): C-023754
NCI Plated 2007: 201470
ChEMBL12: CHEMBL1288314
ChEMBL19: CHEMBL1288314
ChemDB: 5187118...7 total

ref: mol2, SDF, SMILES, flexibase
5.15,2.02,-8.3,0,2,0, 307.176, 4

Similar to: 17022970, 32133850, 32133854,
4276691
 
#76

eMolecules: 45723104
Molport: MolPort-028-811-259
Chembo Pharma: KB-146803
Enamine: Z46046495
Mcule: MCULE-8529598052...13 total

ref: mol2, SDF, SMILES, flexibase
4.63,3.16,-13.11,0,4,0, 348.398, 6

Similar to: 6340508, 7740913, 17022968,
6514547
 
#77

NCI Plated 2007: 201468
ChEMBL19: CHEMBL2133311
ChemDB: 5187117
PubChem: 5041295
ref: mol2, SDF, SMILES, flexibase
2.22,7.88,-21.86,1,3,0, 246.335, 3
1735342
 
#78

NCI Plated 2007: 201467
ChemDB: 5187116
PubChem: 6041100, 304772, 9554807
ref: mol2, SDF, SMILES, flexibase
3.19,0.58,-15.57,1,6,0, 327.384, 6

Similar to: 17022966,
1735341
 
#79

NCI Plated 2007: 201466
ChemDB: 5187115
PubChem: 304771
ref: mol2, SDF, SMILES, flexibase
3.64,-0.33,-18.83,2,4,0, 290.322, 2
1735335
 
#80

NCI Plated 2007: 201464
ChemDB: 5187113
PubChem: 5960186, 304770, 9554806
ref: mol2, SDF, SMILES, flexibase
4.32,-0.15,-13.66,1,5,0, 390.281, 6

Similar to: 17022964, 31723479,
5328079
 
#81

NCI Plated 2007: 201463
ChemDB: 5187111
PubChem: 304769
ref: mol2, SDF, SMILES, flexibase
0.81,0.07,-10.93,3,5,0, 230.308, 5

Similar to: 5328080, 5328081, 5328078,
1735332
 
#82

NCI Plated 2007: 201460
ChemDB: 5187109
PubChem: 304766
ref: mol2, SDF, SMILES, flexibase
4.38,-3.24,-9.96,0,2,0, 299.178, 0
17022959
 
#83

NCI Plated 2007: 201459
ref: mol2, SDF, SMILES, flexibase
3.53,6.88,-9.72,1,4,0, 358.191, 3

Similar to: 17837215, 31723478,
6514548
 
#84

eMolecules: 2192316
Scientific Exchange (make on demand): M-069554
AKOS: AKOS001402501
ChemBridge: 7157334
Innovapharm: STT-00184052...24 total

ref: mol2, SDF, SMILES, flexibase
1.97,7.18,-20.36,1,3,0, 234.324, 3

Similar to: 7404503,
1735326
 
#85

NCI Plated 2007: 201453
ChemDB: 5187105
PubChem: 304759, 6509921
ref: mol2, SDF, SMILES, flexibase
4.07,2.26,-11.75,0,6,0, 381.428, 8

Similar to: 1735325,
97221
 
#86

eMolecules: 5785627
Molport: MolPort-002-917-194
Maybridge: S02724
NCI Plated 2007: 201451
AKOS BB (make-on-demand): AKOS000248196...11 total

ref: mol2, SDF, SMILES, flexibase
1.68,5.87,-11.22,0,3,0, 219.265, 2
1735322
 
#87

eMolecules: 1945306
Molport: MolPort-001-532-304
AKOS: AKOS001652623
ChemDiv: 3989-0115
IBScreen: STOCK2S-11978...17 total

ref: mol2, SDF, SMILES, flexibase
2.95,-12.01,-23.29,0,9,0, 507.615, 6

Similar to: 1735757,
17022942
 
#88

NCI Plated 2007: 201448
ChemDB: 5187099
PubChem: 304754, 5788351
ref: mol2, SDF, SMILES, flexibase
3.12,6.49,-10.25,1,3,0, 264.28, 1
1735319
 
#89

NCI Plated 2007: 201447
ChemDB: 5187097
PubChem: 304753
ref: mol2, SDF, SMILES, flexibase
3.59,1.8,-9.07,0,3,0, 321.42, 2

Similar to: 44857518,
6514553
 
#90

eMolecules: 5785953
Molport: MolPort-002-917-195
Maybridge: S02725
NCI Plated 2007: 201445
ChEMBL19: CHEMBL1974674...7 total

ref: mol2, SDF, SMILES, flexibase
4.27,9.5,-20.76,2,3,0, 359.665, 4

Similar to: 511959,
1735316
 
#91

ChemMol: 30107100
AK Scientific: V1192
AKOS: AKOS015838772
American Custom Chemicals Corp.: AAA0001580
Anward: ANW-25234...33 total

ref: mol2, SDF, SMILES, flexibase
1.64,-0.17,-14.48,2,5,0, 274.32, 6

Similar to: 3343775, 3343777, 4533775, 4896418, 4896419, ... 17 in total.
659163
 
#92

eMolecules: 1200888
Molport: MolPort-001-926-343
AKOS: AKOS000638921
Asinex: BAS00345578
ChemBridge: 5353940...23 total

ref: mol2, SDF, SMILES, flexibase
2.58,-2.28,-12.46,2,5,0, 376.206, 4

Similar to: 659165,
13135387
 
#93

Scientific Exchange (make on demand): T-027281
AKOS: AKOS001114951
Aldrich CPR: S514195|ALDRICH
American Custom Chemicals Corp.: PXT0001024
Mcule: MCULE-4450821730...13 total

ref: mol2, SDF, SMILES, flexibase
5.54,10.88,-7.18,0,1,0, 291.177, 3

Similar to: 15554583, 6410686, 4582450, 4582850, ... 4 in total.
17022926
 
#94

Scientific Exchange (make on demand): Z-095997
NCI Plated 2007: 201438
ChEMBL19: CHEMBL1973430
ChemDB: 6619682
PubChem: 304744...5 total

ref: mol2, SDF, SMILES, flexibase
3.91,4.44,-9.28,1,5,0, 345.152, 1
hi: mol2, SDF, SMILES, flexibase
4.37,2.15,-42.97,0,5,-1, 344.144, 1
hi: mol2, SDF, SMILES, flexibase
4.37,2.68,-38.91,0,5,-1, 344.144, 1
17022921
 
#95

eMolecules: 1802366
Molport: MolPort-001-631-515
Scientific Exchange (make on demand): POD_16/0342
AKOS: AKOS003239250
ChemDiv: 3331-3149...16 total

ref: mol2, SDF, SMILES, flexibase
4.70,5.97,-8.29,1,3,0, 335.588, 1
hi: mol2, SDF, SMILES, flexibase
5.16,4.51,-37.22,0,3,-1, 334.58, 1
hi: mol2, SDF, SMILES, flexibase
5.16,3.98,-40.92,0,3,-1, 334.58, 1

Similar to: 33784799, 38618822,
13597728
 
#96

NCI Diversity 3: 201428
NCI Plated 2007: 201428
ChEMBL19: CHEMBL1373355
ChemDB: 5187083, 6718704
Collaborative Drug Discovery: 168381...7 total

ref: mol2, SDF, SMILES, flexibase
2.95,3.87,-10.17,1,4,0, 302.131, 1
hi: mol2, SDF, SMILES, flexibase
3.41,2.1,-42.89,0,4,-1, 301.123, 1
lo: mol2, SDF, SMILES, flexibase
2.95,4.33,-31.45,2,4,1, 303.139, 1
lo: mol2, SDF, SMILES, flexibase
3.21,4.7,-89.12,3,4,2, 304.147, 2
1735303
 
#97

NCI Plated 2007: 201426
ChemDB: 5187081
PubChem: 5383845, 304732
ref: mol2, SDF, SMILES, flexibase
4.95,0.83,-15.53,1,4,0, 343.43, 5

Similar to: 17022913, 31723468,
1735302
 
#98

NCI Plated 2007: 201425
ChemDB: 5187079
PubChem: 5169315
ref: mol2, SDF, SMILES, flexibase
4.79,-3.15,-26.71,4,6,0, 514.676, 11

Similar to: 47805576,
1735299
 
#99

NCI Plated 2007: 201417
ChemDB: 5187073
PubChem: 304727
ref: mol2, SDF, SMILES, flexibase
2.12,3.11,-9.13,0,4,0, 224.237, 8

Similar to: 5328014, 5328024, 5328033, 5328041, 5328046, ... 18 in total.
1735295
 
#100

NCI Plated 2007: 201414
ChemDB: 5187069
PubChem: 304724
SureChEMBL: SCHEMBL3820667
ref: mol2, SDF, SMILES, flexibase
2.42,3.32,-8.72,0,4,0, 238.264, 8

Similar to: 6002815, 17022900, 32136611, 32136612, 32136613, ... 18 in total.

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 = 208 ) limit 0,100

Smiles were