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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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5725628
 
#1

KeyOrganics: 3R-0688
ref: mol2, SDF, SMILES, flexibase
-0.13,0.82,-42.86,2,4,1, 253.244, 5

Similar to: 20366796, 22014322, 29763588,
8887694
 
#2

Molport: MolPort-002-870-291
KeyOrganics: 4X-0867
ref: mol2, SDF, SMILES, flexibase
6.25,-6.79,-58.21,4,5,1, 516.845, 9

Similar to: 52521549,
4107075
 
#3

KeyOrganics: MS-2000
ref: mol2, SDF, SMILES, flexibase
-1.19,-1.31,-47.59,1,6,1, 242.299, 2

Similar to: 36043373, 42206777,
5517281
 
#4

Molport: MolPort-002-878-562
KeyOrganics: 7R-1066
ref: mol2, SDF, SMILES, flexibase
0.90,-1.27,-40.09,2,4,1, 256.244, 3

Similar to: 34380072,
5763940
 
#5

KeyOrganics: 7T-0279
ref: mol2, SDF, SMILES, flexibase
2.76,-1.86,-63.2,2,8,1, 384.412, 3

Similar to: 20405084, 33575699, 43405473, 43644746, ... 4 in total.
5763938
 
#6

AK Scientific: 4789AD
AKOS: AKOS005086979
Aldrich CPR: CDS011125|ALDRICH
Ark Pharm Building Blocks: AK-39285
Chembo Pharma: KB-223673...25 total

ref: mol2, SDF, SMILES, flexibase
1.13,2.73,-48.83,0,4,-1, 176.151, 2

Similar to: 41652493, 41652542, 41652548,
5763937
 
#7

Molport: MolPort-002-870-309
KeyOrganics: 4X-0890
Mcule: MCULE-8076703529
ChemDB: 4709473
PubChem: 1478223...9 total

ref: mol2, SDF, SMILES, flexibase
1.76,-1.54,-49.53,0,5,-1, 253.237, 3

Similar to: 33824810, 33824811,
53469
 
#8

eMolecules: 626163
Scientific Exchange (make on demand): K-089650
AKOS: AKOS000573471
Aldrich CPR: R944777|ALDRICH, R394645|ALDRICH
Alinda Building Blocks: ALBB-015884...50 total

ref: mol2, SDF, SMILES, flexibase
-0.28,4.68,-34.89,2,5,0, 253.279, 2
hi: mol2, SDF, SMILES, flexibase
-0.28,3.94,-42.14,1,5,-1, 252.271, 2
53470
 
#9

eMolecules: 626163
Scientific Exchange (make on demand): K-089650
AKOS: AKOS000573471
Aldrich CPR: R944777|ALDRICH, R394645|ALDRICH
Alinda Building Blocks: ALBB-015884...51 total

ref: mol2, SDF, SMILES, flexibase
-0.28,4.75,-30.79,2,5,0, 253.279, 2
hi: mol2, SDF, SMILES, flexibase
-0.28,3.77,-42.58,1,5,-1, 252.271, 2
53471
 
#10

eMolecules: 26363926, 626163
Scientific Exchange (make on demand): K-089650
AKOS: AKOS000573471
Aldrich CPR: R944777|ALDRICH, R394645|ALDRICH
Alinda: IBS-L0109596...58 total

ref: mol2, SDF, SMILES, flexibase
-0.28,4.63,-30.41,2,5,0, 253.279, 2
hi: mol2, SDF, SMILES, flexibase
-0.28,3.88,-39.73,1,5,-1, 252.271, 2
53472
 
#11

eMolecules: 26363926, 626163
Scientific Exchange (make on demand): K-089650
AKOS: AKOS000573471
Aldrich CPR: R944777|ALDRICH, R394645|ALDRICH
Alinda: IBS-L0109596...59 total

ref: mol2, SDF, SMILES, flexibase
-0.28,4.7,-34.18,2,5,0, 253.279, 2
hi: mol2, SDF, SMILES, flexibase
-0.28,3.43,-44.3,1,5,-1, 252.271, 2
4014587
 
#12

Molport: MolPort-002-852-287
Key Organics Building Blocks: 10R-0342
KeyOrganics: 10R-0342
Matrix Scientific: 042754
Mcule: MCULE-5296206184...14 total

ref: mol2, SDF, SMILES, flexibase
0.95,-3.29,-45.53,2,7,-1, 261.213, 2

Similar to: 4014584,
4014584
 
#13

Molport: MolPort-002-852-287
Key Organics Building Blocks: 10R-0342
KeyOrganics: 10R-0342
Matrix Scientific: 042754
Mcule: MCULE-5296206184...14 total

ref: mol2, SDF, SMILES, flexibase
0.96,1.78,-45.56,2,7,-1, 261.213, 2

Similar to: 4014587,
3104291
 
#14

KeyOrganics: 9L-931
ref: mol2, SDF, SMILES, flexibase
4.46,3.28,-46.61,2,4,1, 409.741, 6

Similar to: 9940747,
2569389
 
#15

KeyOrganics: 10J-906
ref: mol2, SDF, SMILES, flexibase
3.58,-2.88,-42.78,5,7,1, 467.781, 7
8733559
 
#16

KeyOrganics: 10J-905
ref: mol2, SDF, SMILES, flexibase
5.01,2.2,-44.32,2,5,1, 472.196, 6

Similar to: 20218566,
3104246
 
#17

KeyOrganics: 10J-907
ref: mol2, SDF, SMILES, flexibase
3.84,11.36,-51.45,2,7,1, 477.776, 6
3104245
 
#18

KeyOrganics: 10J-901
ref: mol2, SDF, SMILES, flexibase
3.21,2.14,-47.16,3,6,1, 453.75, 6
4073036
 
#19

Apexmol Building Blocks: AM90682
Chembo Pharma: KB-142243, KB-29475
KeyOrganics: 12W-0863
Mcule: MCULE-6957526376
Molport BB: MolPort-006-170-494...21 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-4.77,-53.95,4,4,1, 196.226, 3

Similar to: 26510301, 26510304, 34334759, 34334761, 44233385, ... 11 in total.
4073035
 
#20

Apexmol Building Blocks: AM90682
Chembo Pharma: KB-142243, KB-29475
KeyOrganics: 12W-0863
Mcule: MCULE-6957526376
Molport BB: MolPort-006-170-494...21 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-4.77,-53.54,4,4,1, 196.226, 3

Similar to: 4073036, 26510301, 26510304, 34334759, 34334761, ... 13 in total.
2505787
 
#21

Molport: MolPort-002-855-477
KeyOrganics: 11R-0645
Mcule: MCULE-8936369049
ChEMBL12: CHEMBL1306763
ChEMBL19: CHEMBL1306763...11 total

ref: mol2, SDF, SMILES, flexibase
0.43,3.87,-48.72,1,6,-1, 304.2, 5
hi: mol2, SDF, SMILES, flexibase
1.52,2.76,-117.35,0,6,-2, 303.192, 5

Similar to: 4050746, 33815924, 33815925, 33815928, 33815929, ... 8 in total.
4050746
 
#22

Molport: MolPort-002-855-477
KeyOrganics: 11R-0645
Mcule: MCULE-8936369049
ChEMBL12: CHEMBL1306763
ChEMBL19: CHEMBL1306763...11 total

ref: mol2, SDF, SMILES, flexibase
0.43,0.4,-51.71,1,6,-1, 304.2, 5

Similar to: 33815924, 33815925, 33815928, 33815929, 33815930, ... 8 in total.
4014636
 
#23

Molport: MolPort-002-852-312
KeyOrganics: 10R-0612
Mcule: MCULE-4272732268
ChEMBL12: CHEMBL600330
ChEMBL19: CHEMBL600330...12 total

ref: mol2, SDF, SMILES, flexibase
0.59,-4.08,-45.03,1,7,0, 327.358, 4

Similar to: 4014635,
4014635
 
#24

Molport: MolPort-002-852-312
KeyOrganics: 10R-0612
Mcule: MCULE-4272732268
ChEMBL12: CHEMBL600330
ChEMBL19: CHEMBL600330...12 total

ref: mol2, SDF, SMILES, flexibase
0.59,-3.82,-68.15,1,7,0, 327.358, 4

Similar to: 4014636,
170053
 
#25

ChemMol: 97603011, 44016351, 42302171
eMolecules: 32443788, 704460
Molport: MolPort-016-636-336
Scientific Exchange (make on demand): E-021191
ACB Blocks: BAA-0097...94 total

ref: mol2, SDF, SMILES, flexibase
-1.17,-2.53,-46.18,3,5,0, 209.201, 3

Similar to: 2387383, 2586166, 2586221, 2597535, 2597538, ... 15 in total.
170052
 
#26

ChemMol: 42302171, 97603012, 44016351
eMolecules: 704460
Scientific Exchange (make on demand): E-021191
ACB Blocks: BAA-0097
AK Scientific: 8676AE...89 total

ref: mol2, SDF, SMILES, flexibase
-1.17,-2.54,-46.8,3,5,0, 209.201, 3

Similar to: 2387383, 2586166, 2586221, 2597535, 2597538, ... 13 in total.
4092841
 
#27

Molport: MolPort-002-863-718
Ark Pharm Building Blocks: AK-58898
KeyOrganics: 2T-0637
Innovapharm BB Make on Demand: BBV-00022932
BOC Sciences BB (Depleted): 138621-63-3...16 total

ref: mol2, SDF, SMILES, flexibase
-1.55,-2.55,-44.64,3,5,0, 223.228, 3

Similar to: 34963013, 4092840,
4092840
 
#28

Molport: MolPort-002-863-718
Ark Pharm Building Blocks: AK-58898
KeyOrganics: 2T-0637
Innovapharm BB Make on Demand: BBV-00022932
BOC Sciences BB (Depleted): 138621-63-3...15 total

ref: mol2, SDF, SMILES, flexibase
-1.55,-2.55,-44.65,3,5,0, 223.228, 3

Similar to: 4092841, 44217591, 44217596, 44217599, ... 4 in total.
4107220
 
#29

Molport: MolPort-002-886-948
KeyOrganics: MS-2057
Mcule: MCULE-2338811045
ChEMBL12: CHEMBL1548748
ChEMBL19: CHEMBL1548748...11 total

ref: mol2, SDF, SMILES, flexibase
1.40,4.77,-54.24,1,8,-1, 338.346, 5
hi: mol2, SDF, SMILES, flexibase
1.47,3.09,-98.76,0,8,-2, 337.338, 5

Similar to: 44242567,
4204566
 
#30

Molport: MolPort-002-467-730
AKOS: AKOS000345473
Chembo Pharma: KB-237275
Enamine Building Blocks: EN300-11365
KeyOrganics: 5W-0389...21 total

ref: mol2, SDF, SMILES, flexibase
1.67,7.44,-47.96,0,3,-1, 217.244, 4

Similar to: 34222583,
3883684
 
#31

Molport: MolPort-002-863-618
AK Scientific: 8774AD
AKOS: AKOS005069904
American Custom Chemicals Corp.: CHM0026418
Ark Pharm Building Blocks: AK123894...24 total

ref: mol2, SDF, SMILES, flexibase
0.25,3.49,-46.59,1,6,-1, 246.198, 3

Similar to: 33336337, 36182149, 58235473,
4105027
 
#32

Molport: MolPort-002-885-976
KeyOrganics: MS-0205
Mcule: MCULE-2152546163
ChemDB: 4724733
PubChem: 3780873...7 total

ref: mol2, SDF, SMILES, flexibase
1.54,0.39,-140.85,0,5,-2, 303.004, 1
4106885
 
#33

ChemBridge: 7917438
Chemical Block: A3107/0131600
KeyOrganics: MS-1821
ref: mol2, SDF, SMILES, flexibase
1.80,7.38,-59.43,2,6,1, 382.234, 4

Similar to: 19848894,
4106887
 
#34

Molport: MolPort-002-886-799
KeyOrganics: MS-1822
Mcule: MCULE-7894325743
ChemDB: 4725613
PubChem: 3729353...7 total

ref: mol2, SDF, SMILES, flexibase
2.86,0.03,-56.66,2,5,1, 380.262, 4
8762090
 
#35

Molport: MolPort-002-852-653
American Custom Chemicals Corp.: CHM0158548
KeyOrganics: 10W-0345
Mcule: MCULE-1133802393
ChemDB: 4690512...8 total

ref: mol2, SDF, SMILES, flexibase
3.87,-4.45,-57.88,1,12,-1, 475.459, 7
8873418
 
#36

KeyOrganics: 8N-064
ref: mol2, SDF, SMILES, flexibase
3.46,-4.68,-49.46,3,7,1, 450.846, 8

Similar to: 20405326, 33688183,
1870371
 
#37

Molport: MolPort-001-823-244
AKOS: AKOS005084354
American Custom Chemicals Corp.: CHM0012394
Element Store BB: b2star-5285-18-7
KeyOrganics: 1X-0937...40 total

ref: mol2, SDF, SMILES, flexibase
2.32,0.57,-52.07,0,4,-1, 217.2, 3

Similar to: 12410298, 13099346, 32235325, 32235326, 32235327, ... 8 in total.
6473231
 
#38

Molport: MolPort-002-860-984
American Custom Chemicals Corp.: CHM0136904
KeyOrganics: 1X-0235
Mcule: MCULE-4895063061
ChemDB: 4699528...9 total

ref: mol2, SDF, SMILES, flexibase
-0.44,-3.81,-67.67,1,8,-1, 346.344, 3

Similar to: 6473230,
6473230
 
#39

Molport: MolPort-002-860-984
American Custom Chemicals Corp.: CHM0136904
KeyOrganics: 1X-0235
Mcule: MCULE-4895063061
ChemDB: 4699528...9 total

ref: mol2, SDF, SMILES, flexibase
-0.44,-3.81,-69.67,1,8,-1, 346.344, 3

Similar to: 6473231,
2510532
 
#40

Molport: MolPort-002-866-965
American Custom Chemicals Corp.: CHM0135663
KeyOrganics: 3W-0294
ChemDB: 4705932
PubChem: 28886375...7 total

ref: mol2, SDF, SMILES, flexibase
0.24,-4.07,-46.07,1,7,-1, 305.291, 4

Similar to: 5763909, 34229071,
5763897
 
#41

KeyOrganics: 3X-0266
ref: mol2, SDF, SMILES, flexibase
0.90,-3.09,-41.12,2,7,1, 348.404, 3

Similar to: 5763904,
5763895
 
#42

KeyOrganics: 3X-0279
ref: mol2, SDF, SMILES, flexibase
1.96,-1.96,-38.7,2,6,1, 346.432, 3

Similar to: 5763902, 20366933,
8887748
 
#43

KeyOrganics: 4Y-5014
ref: mol2, SDF, SMILES, flexibase
0.75,-0.36,-45.54,1,7,1, 292.315, 4

Similar to: 20386922,
8857065
 
#44

KeyOrganics: 4K-914
ref: mol2, SDF, SMILES, flexibase
3.21,1.88,-42.26,2,8,1, 415.735, 6

Similar to: 15817825, 20385685, 30914162,
1401062
 
#45

KeyOrganics: 8L-938
ref: mol2, SDF, SMILES, flexibase
2.73,-0.99,-34.91,4,6,1, 385.753, 5

Similar to: 15817872,
4105022
 
#46

KeyOrganics: MS-0203
Mcule: MCULE-5788468200
ChEMBL12: CHEMBL1519869
ChEMBL19: CHEMBL1519869
ChemDB: 4724731...10 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.8,-55.7,1,5,-1, 295.727, 3
lo: mol2, SDF, SMILES, flexibase
2.65,4.86,-16.94,2,5,0, 296.735, 3

Similar to: 4105019, 4105020, 4105021,
4105021
 
#47

KeyOrganics: MS-0203
Mcule: MCULE-5788468200
ChEMBL12: CHEMBL1519869
ChEMBL19: CHEMBL1519869
ChemDB: 4724731...10 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.88,-49.01,1,5,-1, 295.727, 3
lo: mol2, SDF, SMILES, flexibase
2.65,4.88,-12.75,2,5,0, 296.735, 3

Similar to: 4105022, 4105019, 4105020,
4105020
 
#48

KeyOrganics: MS-0203
Mcule: MCULE-5788468200
ChEMBL12: CHEMBL1519869
ChEMBL19: CHEMBL1519869
ChemDB: 4724731...10 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.88,-48.9,1,5,-1, 295.727, 3
lo: mol2, SDF, SMILES, flexibase
2.65,4.88,-12.75,2,5,0, 296.735, 3

Similar to: 4105021, 4105022, 4105019,
4105019
 
#49

KeyOrganics: MS-0203
Mcule: MCULE-5788468200
ChEMBL12: CHEMBL1519869
ChEMBL19: CHEMBL1519869
ChemDB: 4724731...10 total

ref: mol2, SDF, SMILES, flexibase
2.65,6.79,-55.5,1,5,-1, 295.727, 3
lo: mol2, SDF, SMILES, flexibase
2.65,4.85,-16.97,2,5,0, 296.735, 3

Similar to: 4105020, 4105021, 4105022,
8762006
 
#50

KeyOrganics: 10L-959
ref: mol2, SDF, SMILES, flexibase
2.97,-0.18,-40.65,3,6,1, 420.198, 5

Similar to: 20218578,
1392829
 
#51

Molport: MolPort-002-851-992
KeyOrganics: 10P-317S
Mcule: MCULE-8776466399
ChemDB: 4689804
PubChem: 1479951...8 total

ref: mol2, SDF, SMILES, flexibase
5.22,2.03,-48.8,0,3,-1, 382.77, 4

Similar to: 41719596, 41719622, 41719629,
3128191
 
#52

Molport: MolPort-002-876-643
KeyOrganics: 7G-062
ChemDB: 4716416
IBM Patent Data: 136206962
PubChem: 3813327...8 total

ref: mol2, SDF, SMILES, flexibase
1.80,-5.11,-44.97,0,4,-1, 356.754, 4
99232
 
#53

Molport: MolPort-002-886-664
KeyOrganics: MS-1560
Maybridge: S06066
ref: mol2, SDF, SMILES, flexibase
-0.19,-2.09,-41.58,2,6,0, 260.296, 3
4745391
 
#54

Chemical Block: A3934/0167492
KeyOrganics: 8D-061
Vitas-M: STK272146
ref: mol2, SDF, SMILES, flexibase
1.31,-3.83,-38.42,1,5,1, 284.386, 3

Similar to: 14302840, 22078562, 23615452, 32222509, ... 4 in total.
5763881
 
#55

Molport: MolPort-002-866-868
KeyOrganics: 3T-0900
Mcule: MCULE-5543799131
ChemDB: 4705825
PubChem: 1474440...9 total

ref: mol2, SDF, SMILES, flexibase
3.23,1.46,-45.56,0,5,-1, 344.319, 4
1406338
 
#56

Molport: MolPort-002-860-183
KeyOrganics: 1R-0002
Mcule: MCULE-9918046454
BindingDB.org: 50956
ChEMBL12: CHEMBL1462936...12 total

ref: mol2, SDF, SMILES, flexibase
2.89,9.35,-49.43,0,5,-1, 311.342, 5
1400637
 
#57

KeyOrganics: 8J-038
Mcule: MCULE-3456550579
BindingDB.org: 41616
ChEMBL12: CHEMBL1443201
ChEMBL19: CHEMBL1443201...11 total

ref: mol2, SDF, SMILES, flexibase
4.20,8.35,-45.64,0,3,-1, 328.316, 3
3104276
 
#58

KeyOrganics: 3J-909
ref: mol2, SDF, SMILES, flexibase
5.77,-3.39,-46.55,2,6,1, 571.976, 7
6883928
 
#59

Molport: MolPort-002-879-019
KeyOrganics: 7X-0352
Mcule: MCULE-1983960098
ChEMBL12: CHEMBL1422480
ChEMBL19: CHEMBL1422480...11 total

ref: mol2, SDF, SMILES, flexibase
1.40,6.65,-99.82,0,8,-2, 381.387, 5
3883205
 
#60

Molport: MolPort-002-344-702
Key Organics Building Blocks: 10G-937
KeyOrganics: 10G-937
Matrix Scientific: 042585
Mcule: MCULE-5144691013...23 total

ref: mol2, SDF, SMILES, flexibase
-1.54,0.24,-63.3,1,6,-1, 276.315, 3

Similar to: 12336277, 12336278, 21807867,
1388404
 
#61

Molport: MolPort-002-868-086
KeyOrganics: 4H-915
Mcule: MCULE-8710302731
ChemDB: 4707065
PubChem: 3797865...9 total

ref: mol2, SDF, SMILES, flexibase
-1.72,-4.6,-53.74,0,6,-1, 274.299, 3
40682
 
#62

Molport: MolPort-002-886-934
Enamine Building Blocks: EN300-168714
KeyOrganics: MS-2041
Mcule: MCULE-5503147114
ChemDB: 4725771...15 total

ref: mol2, SDF, SMILES, flexibase
2.31,-2.59,-44.98,3,2,1, 220.317, 4
6473067
 
#63

Molport: MolPort-002-884-931
KeyOrganics: JS-1463
Mcule: MCULE-1043813531
ChemDB: 5780292
PubChem: 4333384...9 total

ref: mol2, SDF, SMILES, flexibase
0.75,0.3,-28.34,2,4,0, 307.346, 7

Similar to: 6473066,
6473066
 
#64

Molport: MolPort-002-884-931
KeyOrganics: JS-1463
Mcule: MCULE-1043813531
ChemDB: 5780292
PubChem: 4333384...9 total

ref: mol2, SDF, SMILES, flexibase
0.75,0.29,-30.49,2,4,0, 307.346, 7

Similar to: 6473067,
6251580
 
#65

Molport: MolPort-002-884-799
KeyOrganics: JS-1193
Mcule: MCULE-3210558267
ChemDB: 5757100
PubChem: 7923247...9 total

ref: mol2, SDF, SMILES, flexibase
1.27,-0.59,-27.87,2,4,0, 323.801, 7

Similar to: 41843,
41843
 
#66

Molport: MolPort-002-884-799
KeyOrganics: JS-1193
Mcule: MCULE-3210558267
ChemDB: 5757100
PubChem: 677990...9 total

ref: mol2, SDF, SMILES, flexibase
1.27,-0.59,-29.97,2,4,0, 323.801, 7

Similar to: 6251580,
2570966
 
#67

Molport: MolPort-002-884-741
KeyOrganics: JS-1111
Mcule: MCULE-8453750174
ChemDB: 5781324
PubChem: 3957687...8 total

ref: mol2, SDF, SMILES, flexibase
2.95,-0.16,-27.14,2,4,0, 371.502, 8

Similar to: 8311815, 41875774, 41875775,
8311815
 
#68

Molport: MolPort-002-884-741
KeyOrganics: JS-1111
Mcule: MCULE-8453750174
ChemDB: 5781324
PubChem: 9437185...8 total

ref: mol2, SDF, SMILES, flexibase
2.95,-0.16,-28.11,2,4,0, 371.502, 8

Similar to: 41875774, 41875775, 2570966,
4118251
 
#69

Molport: MolPort-002-884-298
AKOS: AKOS005106910
KeyOrganics: JS-0261
Mcule: MCULE-5901850998
ChemDB: 5761206...10 total

ref: mol2, SDF, SMILES, flexibase
1.40,-1.2,-27.86,2,4,0, 368.252, 7

Similar to: 4118250,
4118250
 
#70

Molport: MolPort-002-884-298
AKOS: AKOS005106910
KeyOrganics: JS-0261
Mcule: MCULE-5901850998
ChemDB: 5761206...10 total

ref: mol2, SDF, SMILES, flexibase
1.40,-1.2,-29.93,2,4,0, 368.252, 7

Similar to: 4118251,
5770566
 
#71

Molport: MolPort-002-880-724
KeyOrganics: 8P-006
ChemDB: 4721025
PubChem: 3807269, 40562156
Ambinter: Amb2438294...6 total

ref: mol2, SDF, SMILES, flexibase
2.20,0.42,-45.21,3,3,1, 338.293, 8

Similar to: 12958619, 5770557, 5770560,
5770560
 
#72

KeyOrganics: 8P-006
ref: mol2, SDF, SMILES, flexibase
2.20,0.9,-43.71,3,3,1, 338.293, 8

Similar to: 5770566, 12958619, 5770557,
5770557
 
#73

Molport: MolPort-002-880-724
KeyOrganics: 8P-006
ChemDB: 4721025
PubChem: 3807269, 40562153
Ambinter: Amb2438294...6 total

ref: mol2, SDF, SMILES, flexibase
2.20,0.8,-44.33,3,3,1, 338.293, 8

Similar to: 5770560, 5770566, 12958619,
4037966
 
#74

KeyOrganics: 10X-0063
ref: mol2, SDF, SMILES, flexibase
2.70,-1.8,-36.09,1,4,1, 318.447, 1

Similar to: 4037963,
4037963
 
#75

KeyOrganics: 10X-0063
ref: mol2, SDF, SMILES, flexibase
2.70,-1.82,-36.09,1,4,1, 318.447, 1

Similar to: 4037966,
2585625
 
#76

AK Scientific: 2574AA
AKOS: AKOS005071209
Anward: ANW-55856
Apollo Scientific: PC10348
Ark Pharm Building Blocks: AK-56016...26 total

ref: mol2, SDF, SMILES, flexibase
1.34,0.58,-43.94,1,4,-1, 266.22, 5

Similar to: 3884486,
3884486
 
#77

AK Scientific: 2574AA
AKOS: AKOS005071209
Anward: ANW-55856
Apollo Scientific: PC10348
Ark Pharm Building Blocks: AK-56016...26 total

ref: mol2, SDF, SMILES, flexibase
1.34,0.31,-46.2,1,4,-1, 266.22, 5

Similar to: 2585625,
5263638
 
#78

KeyOrganics: 5H-026
ref: mol2, SDF, SMILES, flexibase
3.84,3.22,-29.72,1,4,1, 388.822, 4

Similar to: 5204367,
5769805
 
#79

KeyOrganics: 8R-1067
ref: mol2, SDF, SMILES, flexibase
2.89,1.61,-39.52,1,5,1, 366.381, 6

Similar to: 20405419,
8857088
 
#80

Molport: MolPort-002-868-957
KeyOrganics: 4M-907
ref: mol2, SDF, SMILES, flexibase
4.07,3.87,-52.94,1,7,1, 430.428, 8

Similar to: 52521495,
8782010
 
#81

KeyOrganics: 3M-953
ref: mol2, SDF, SMILES, flexibase
3.89,1.46,-105.84,2,5,2, 421.872, 7

Similar to: 10647574, 20366620,
3104297
 
#82

KeyOrganics: 9L-937
ref: mol2, SDF, SMILES, flexibase
5.50,0.33,-53.12,4,5,1, 509.883, 9
4489568
 
#83

Molport: MolPort-002-878-414
KeyOrganics: 7R-0239
Mcule: MCULE-8969446094
ChEMBL12: CHEMBL1572783
ChEMBL19: CHEMBL1572783...10 total

ref: mol2, SDF, SMILES, flexibase
3.60,8.96,-56.2,3,5,1, 413.35, 5

Similar to: 7284765, 15908688,
1389955
 
#84

eMolecules: 27482447
Molport: MolPort-002-869-471
Enamine: Z169884988
KeyOrganics: 4R-0042
Mcule: MCULE-1549506909...14 total

ref: mol2, SDF, SMILES, flexibase
1.02,-3.47,-52.34,2,6,-1, 293.324, 4
1389956
 
#85

eMolecules: 27482447
Molport: MolPort-002-869-471
Enamine: Z169884988
KeyOrganics: 4R-0042
Mcule: MCULE-1549506909...14 total

ref: mol2, SDF, SMILES, flexibase
1.02,5.07,-57.78,2,6,-1, 293.324, 4
1389957
 
#86

eMolecules: 27482447
Molport: MolPort-002-869-471
Enamine: Z169884988
KeyOrganics: 4R-0042
Mcule: MCULE-1549506909...14 total

ref: mol2, SDF, SMILES, flexibase
1.02,-3.36,-58.89,2,6,-1, 293.324, 4
1389958
 
#87

eMolecules: 27482447
Molport: MolPort-002-869-471
Enamine: Z169884988
KeyOrganics: 4R-0042
Mcule: MCULE-1549506909...14 total

ref: mol2, SDF, SMILES, flexibase
1.02,-3.47,-52.38,2,6,-1, 293.324, 4
8781646
 
#88

KeyOrganics: 2H-954
ref: mol2, SDF, SMILES, flexibase
2.21,-3.88,-45.07,4,8,1, 448.834, 7

Similar to: 20365886, 20365889, 8781645,
8781645
 
#89

KeyOrganics: 2H-954
ref: mol2, SDF, SMILES, flexibase
2.21,-3.92,-45.09,4,8,1, 448.834, 7

Similar to: 8781646, 20365886, 20365889,
368330
 
#90

KeyOrganics: MS-0352
Asinex (Depleted): BAS03216901
ref: mol2, SDF, SMILES, flexibase
0.91,3.41,-43.24,2,4,1, 241.336, 4

Similar to: 19927580, 44217762,
4489473
 
#91

KeyOrganics: 5G-901
ref: mol2, SDF, SMILES, flexibase
3.90,-1.29,-37.76,1,5,1, 432.875, 3

Similar to: 20387325,
1389775
 
#92

KeyOrganics: 4P-034
ref: mol2, SDF, SMILES, flexibase
3.14,-0.26,-42.27,1,3,1, 305.398, 4

Similar to: 35022320,
8419605
 
#93

Molport: MolPort-002-885-436
KeyOrganics: JS-2474
ref: mol2, SDF, SMILES, flexibase
3.21,-0.64,-56.11,1,6,1, 346.432, 6

Similar to: 33824294, 52537679,
5263577
 
#94

Molport: MolPort-002-852-988
American Custom Chemicals Corp.: CHM0138026
KeyOrganics: 11B-156
Mcule: MCULE-5666687185
ChemDB: 4690860...11 total

ref: mol2, SDF, SMILES, flexibase
2.90,1.62,-52.18,1,4,-1, 269.305, 4
1398078
 
#95

Molport: MolPort-002-877-504
American Custom Chemicals Corp.: CHM0155443
KeyOrganics: 7M-009
Mcule: MCULE-8896624760
ChemDB: 4717515...13 total

ref: mol2, SDF, SMILES, flexibase
1.10,4.72,-46.8,0,3,-1, 178.192, 2
5626278
 
#96

KeyOrganics: 9L-727
ref: mol2, SDF, SMILES, flexibase
3.13,10.63,-66.33,2,7,1, 353.402, 5
3884467
 
#97

KeyOrganics: 9L-724
ref: mol2, SDF, SMILES, flexibase
1.56,1.03,-53.02,2,5,1, 257.317, 3

Similar to: 20246983,
1405123
 
#98

Molport: MolPort-002-853-847
Chembo Pharma: KB-178510
KeyOrganics: 11J-007
BindingDB.org: 41619
ChEMBL12: CHEMBL1555086...12 total

ref: mol2, SDF, SMILES, flexibase
3.56,1.81,-48,0,4,-1, 312.248, 3
8762285
 
#99

KeyOrganics: 11L-916
ref: mol2, SDF, SMILES, flexibase
4.63,-0.39,-41.23,3,7,1, 499.3, 8

Similar to: 20218966,
4389309
 
#100

KeyOrganics: 7X-0800
Maybridge (Depleted): SCR00910
ref: mol2, SDF, SMILES, flexibase
1.03,1.33,-45.34,3,3,1, 210.175, 5

Similar to: 37855231, 52530471, 52530472,

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 = 115 ) limit 0,100

Smiles were