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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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4202387
 
#1

ChemMol: 96705957, 97601340, 44017627, 44007957, 44014200, 30109742
eMolecules: 17413662
Molport: MolPort-016-578-697
AK Scientific: Z8573
AKOS: AKOS015848201...79 total

ref: mol2, SDF, SMILES, flexibase
-2.17,-2.18,-43.94,3,3,0, 115.132, 2

Similar to: 4204159, 3645182,
154475
 
#2

ChemMol: 30201379, 83601403, 96700325, 30100411
eMolecules: 490824, 530739
Acros Organics: 13064, 21799
ACT Chemical BB: ACT07739
AK Scientific: M348...176 total

ref: mol2, SDF, SMILES, flexibase
-1.33,-1.92,-40.83,3,3,0, 151.165, 2
4202384
 
#3

Tyger Building Blocks: A43039
ChemDB: 6047771
PubChem: 51400795, 4233040, 57364732, 6558433
SureChEMBL: SCHEMBL14053439
Ambinter: Amb2696735...8 total

ref: mol2, SDF, SMILES, flexibase
-1.14,-2.11,-43.94,3,3,0, 167.208, 2

Similar to: 16082676, 34827775, 4202383, 2547023, ... 4 in total.
4202383
 
#4

Tyger Building Blocks: A43039
ChemDB: 6047771
PubChem: 51400794, 4233040, 57364732, 1501943
SureChEMBL: SCHEMBL14053439
Ambinter: Amb2696735...8 total

ref: mol2, SDF, SMILES, flexibase
-1.14,-2.26,-42.91,3,3,0, 167.208, 2

Similar to: 4202384, 16082676, 34827775,
4202371
 
#5

ChemMol: 42302485
eMolecules: 4356562
Molport: MolPort-000-000-420
AK Scientific: Z5823
AKOS: AKOS005404234...25 total

ref: mol2, SDF, SMILES, flexibase
-1.39,-1.41,-48.41,3,6,0, 196.162, 3

Similar to: 4204144, 34551067,
4202346
 
#6

eMolecules: 704317
Molport: MolPort-000-000-405
ACB Blocks: AAA-0480
AK Scientific: W8137
AKOS: AKOS001476224...40 total

ref: mol2, SDF, SMILES, flexibase
-1.82,-2.78,-44.79,3,5,0, 209.201, 2

Similar to: 4204118, 4227572, 4227573, 4227575, 4227576, ... 96 in total.
16957726
 
#7

eMolecules: 46013019
Molport: MolPort-008-269-741, MolPort-019-329-613
AK Scientific: HTS003424
AKOS: AKOS000160065
Alfa-Aesar: H66999...25 total

ref: mol2, SDF, SMILES, flexibase
1.30,2.2,-7.71,3,3,0, 168.171, 2

Similar to: 35857885,
6863049
 
#8

eMolecules: 26934156
Molport: MolPort-011-520-618, MolPort-020-004-265
AK Scientific: Z9634, HTS003438
Alinda Building Blocks: ALBB-019858
Bosche Scientific: F14046...39 total

ref: mol2, SDF, SMILES, flexibase
0.39,1.45,-5.59,3,3,0, 154.144, 1
ref: mol2, SDF, SMILES, flexibase
0.39,1.24,-5.89,3,3,0, 154.144, 1
ref: mol2, SDF, SMILES, flexibase
0.52,1.29,-32.3,4,3,1, 155.152, 2

Similar to: 43388806,
8377511
 
#9

Molport: MolPort-021-880-846
AK Scientific: Z5246
Aldrich CPR: CDS009401|ALDRICH
Angene Building Blocks: AGN-PC-0OLG65
Anward: ANW-68442...21 total

ref: mol2, SDF, SMILES, flexibase
-0.01,-1.8,-31.07,5,4,1, 171.151, 2
ref: mol2, SDF, SMILES, flexibase
-0.14,-1.86,-7.21,4,4,0, 170.143, 1
hi: mol2, SDF, SMILES, flexibase
0.28,1.49,-37.89,3,4,-1, 169.135, 1
hi: mol2, SDF, SMILES, flexibase
0.28,1.45,-34.34,3,4,-1, 169.135, 1
hi: mol2, SDF, SMILES, flexibase
-0.14,-1.32,-9.97,4,4,0, 170.143, 1
hi: mol2, SDF, SMILES, flexibase
-0.01,-0.79,-20.34,4,4,0, 170.143, 2
lo: mol2, SDF, SMILES, flexibase
-0.14,-1.91,-33.23,5,4,1, 171.151, 1
15020970
 
#10

eMolecules: 206907567
Acros Organics: MO07267
Aldrich CPR: CDS003317|ALDRICH
Alfa-Aesar: H50888
AsisChem: PKCBB_00015...47 total

ref: mol2, SDF, SMILES, flexibase
0.77,-0.09,-5.3,3,3,0, 102.137, 2
ref: mol2, SDF, SMILES, flexibase
0.90,-0.41,-30.27,4,3,1, 103.145, 3
ref: mol2, SDF, SMILES, flexibase
0.77,-0.45,-5.6,3,3,0, 102.137, 2
lo: mol2, SDF, SMILES, flexibase
0.77,-0.41,-30.33,4,3,1, 103.145, 2
lo: mol2, SDF, SMILES, flexibase
0.77,-0.5,-30.83,4,3,1, 103.145, 2
2547306
 
#11

BOC Sciences BB: 108724-16-9
Bosche Scientific: H14018
Tyger Building Blocks: H31012
ChemDB: 6049471
PubChem: 5875480...7 total

ref: mol2, SDF, SMILES, flexibase
1.78,1.12,-5.49,3,3,0, 130.191, 4
lo: mol2, SDF, SMILES, flexibase
1.78,1.15,-31.3,4,3,1, 131.199, 4
lo: mol2, SDF, SMILES, flexibase
1.78,1.06,-31.49,4,3,1, 131.199, 4
4218823
 
#12

ChemMol: 96709325, 96710988
eMolecules: 2869382
Molport: MolPort-002-470-169
Aldrich CPR: BOG00088|ALDRICH
Alfa-Aesar: H58326...20 total

ref: mol2, SDF, SMILES, flexibase
2.27,2.96,-4.56,3,3,0, 194.278, 1
ref: mol2, SDF, SMILES, flexibase
2.27,3.04,-4.66,3,3,0, 194.278, 1
lo: mol2, SDF, SMILES, flexibase
2.27,2.99,-30.03,4,3,1, 195.286, 1
lo: mol2, SDF, SMILES, flexibase
2.27,2.92,-32.16,4,3,1, 195.286, 1

Similar to: 6361492, 36460347, 36460349,
3880882
 
#13

ChemMol: 96707742, 30109349, 44011058, 30116724, 1201488, 2001010, 2000081, 83603259, 97602731, 97300598, 30201478
eMolecules: 1837648
Molport: MolPort-000-001-588
A&J Pharmtech: AJ-00623
Acorn PharmaTech: ACN-S003871...138 total

ref: mol2, SDF, SMILES, flexibase
2.84,-2.53,-41.5,3,4,1, 187.263, 3
hi: mol2, SDF, SMILES, flexibase
6.20,10.72,-11.09,3,5,0, 403.313, 4

Similar to: 34436688, 34436692, 34480879, 34480881, 34597478, ... 12 in total.
3880881
 
#14

ChemMol: 30109349, 97602730, 30111838, 96707742, 1201919, 97300598, 30201477, 44011058, 2001010, 2000080, 83603251
eMolecules: 1837648
Molport: MolPort-000-001-588
A&J Pharmtech: AJ-00622
Acorn PharmaTech: ACN-S003779...143 total

ref: mol2, SDF, SMILES, flexibase
2.84,-2.53,-41.47,3,4,1, 187.263, 3
hi: mol2, SDF, SMILES, flexibase
-2.68,-6.61,-16.63,4,9,0, 283.24, 2

Similar to: 3880882, 34436688, 34436692, 34480879, 34480881, ... 13 in total.
4202830
 
#15

ChemMol: 2100665, 2000110, 96708952, 97602929, 1036202, 30109385, 1203565, 44009178, 97300250, 42303926, 30201435
eMolecules: 1837646
Molport: MolPort-000-001-531, MolPort-002-500-670
Scientific Exchange (make on demand): F-331811
A&J Pharmtech: AJ-00620...152 total

ref: mol2, SDF, SMILES, flexibase
2.76,-2.64,-38.79,3,4,1, 201.29, 3

Similar to: 34606511, 44239813, 44239816,
2547534
 
#16

Bosche Scientific: T13948
Tyger Building Blocks: T32041
ChemDB: 6049374
Individual Suppliers: C02547534
PubChem: 40427437...7 total

ref: mol2, SDF, SMILES, flexibase
0.69,1.71,-7.48,3,3,0, 208.114, 1

Similar to: 4287556,
2566821
 
#17

Tyger Building Blocks: P33005
ChemDB: 6049310
PubChem: 7020696, 5244518
SureChEMBL: SCHEMBL9128536
ref: mol2, SDF, SMILES, flexibase
4.71,-0.6,-31.43,4,2,1, 273.444, 6
4204606
 
#18

eMolecules: 2864339
Molport: MolPort-000-004-056, MolPort-002-467-772
AK Scientific: 2024AC, HTS003440
AKOS: AKOS000118595
Aldrich CPR: PH011002|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
0.26,1.03,-8.73,3,4,0, 166.18, 2
ref: mol2, SDF, SMILES, flexibase
0.39,0.36,-26.65,4,4,1, 167.188, 3
ref: mol2, SDF, SMILES, flexibase
0.26,0.3,-7.68,3,4,0, 166.18, 2
mid: mol2, SDF, SMILES, flexibase
0.39,1.4,-18.8,3,4,0, 166.18, 3
lo: mol2, SDF, SMILES, flexibase
0.26,0.34,-27,4,4,1, 167.188, 2
lo: mol2, SDF, SMILES, flexibase
0.26,0.24,-29.07,4,4,1, 167.188, 2
6505900
 
#19

Bosche Scientific: H13815
Tyger Building Blocks: H31137
ChemDB: 6049198
PubChem: 6108118, 4429393, 9670328
ref: mol2, SDF, SMILES, flexibase
1.33,2.27,-5.79,3,3,0, 262.05, 1
2547438
 
#20

Bosche Scientific: H13814
Tyger Building Blocks: H31118
ChemDB: 6049184
PubChem: 6299742, 5202190, 9611929
SureChEMBL: SCHEMBL102369...8 total

ref: mol2, SDF, SMILES, flexibase
1.05,1.58,-5.87,3,3,0, 164.208, 1
lo: mol2, SDF, SMILES, flexibase
1.05,1.74,-31.2,4,3,1, 165.216, 1
lo: mol2, SDF, SMILES, flexibase
1.05,1.82,-27.41,4,3,1, 165.216, 1

Similar to: 34961480,
8381639
 
#21

Molport: MolPort-016-636-482
Alfa-Aesar: H54094
Cayman Chemical: 11054
Enamine Building Blocks: EN300-71466
Molport BB: MolPort-016-636-482...14 total

ref: mol2, SDF, SMILES, flexibase
2.05,4.78,-7.22,3,3,0, 212.252, 2
lo: mol2, SDF, SMILES, flexibase
2.05,4.62,-32.68,4,3,1, 213.26, 2
lo: mol2, SDF, SMILES, flexibase
2.05,4.52,-34.76,4,3,1, 213.26, 2

Similar to: 60142381,
4270085
 
#22

eMolecules: 206928738
Molport: MolPort-023-198-137
AK Scientific: HTS003439
AKOS: AKOS005070668
Alfa-Aesar: H54834...49 total

ref: mol2, SDF, SMILES, flexibase
-1.09,-2.25,-31.21,4,5,1, 139.138, 2
ref: mol2, SDF, SMILES, flexibase
-1.22,-2.21,-7.25,3,5,0, 138.13, 1
ref: mol2, SDF, SMILES, flexibase
-0.34,-0.22,-18.7,3,5,0, 138.13, 1
ref: mol2, SDF, SMILES, flexibase
-0.34,-0.47,-26.03,3,5,0, 138.13, 1
lo: mol2, SDF, SMILES, flexibase
-0.34,-0.51,-41.98,4,5,1, 139.138, 1
lo: mol2, SDF, SMILES, flexibase
-0.34,-0.27,-34.58,4,5,1, 139.138, 1
lo: mol2, SDF, SMILES, flexibase
-0.33,-0.7,-56.92,4,5,1, 139.138, 1
12505254
 
#23

ChemMol: 83602147, 44012938
eMolecules: 206844404, 4355612
Molport: MolPort-000-004-045
Scientific Exchange (make on demand): POD_55/0422
AK Scientific: Z3083...72 total

ref: mol2, SDF, SMILES, flexibase
-0.92,-0.33,-6.91,3,4,0, 137.142, 1
ref: mol2, SDF, SMILES, flexibase
-0.92,-0.54,-6.97,3,4,0, 137.142, 1
ref: mol2, SDF, SMILES, flexibase
0.35,1.58,-22.54,3,4,0, 137.142, 1
ref: mol2, SDF, SMILES, flexibase
0.35,1.37,-27.25,3,4,0, 137.142, 1
mid: mol2, SDF, SMILES, flexibase
0.35,1.32,-36.86,4,4,1, 138.15, 1
mid: mol2, SDF, SMILES, flexibase
0.35,1.53,-33.24,4,4,1, 138.15, 1
mid: mol2, SDF, SMILES, flexibase
0.35,1.14,-51.68,4,4,1, 138.15, 1
2547403
 
#24

eMolecules: 26985999
Molport: MolPort-019-735-395, MolPort-000-004-043
AKOS: AKOS001769879
Bosche Scientific: H13803
Mcule: MCULE-3765624297...11 total

ref: mol2, SDF, SMILES, flexibase
1.28,1.88,-7.54,4,4,0, 189.218, 2
12336433
 
#25

eMolecules: 10927805
Molport: MolPort-007-583-109
Aldrich CPR: CDS016652|ALDRICH
Alfa-Aesar: H54429
Ark Pharm Building Blocks: AK-69899...25 total

ref: mol2, SDF, SMILES, flexibase
0.40,1.41,-11.26,4,4,0, 175.191, 1
lo: mol2, SDF, SMILES, flexibase
0.40,1.11,-32.92,5,4,1, 176.199, 1
lo: mol2, SDF, SMILES, flexibase
0.40,1.39,-31.01,5,4,1, 176.199, 1
2547394
 
#26

Bosche Scientific: H13800
Tyger Building Blocks: H31085
ChemDB: 6049158
PubChem: 5895125, 3687438
ref: mol2, SDF, SMILES, flexibase
0.21,2,-6.23,3,4,0, 153.185, 3
14989075
 
#27

Acros Organics: MO01288
AK Scientific: 7399AE
Bosche Scientific: H13798
Chembo Pharma: KB-58300
Maybridge Building Blocks: MO01288...22 total

ref: mol2, SDF, SMILES, flexibase
1.44,3.43,-7.99,3,3,0, 186.214, 1
ref: mol2, SDF, SMILES, flexibase
1.44,3.64,-7.28,3,3,0, 186.214, 1
lo: mol2, SDF, SMILES, flexibase
1.44,3.47,-31.81,4,3,1, 187.222, 1
lo: mol2, SDF, SMILES, flexibase
1.44,3.38,-34.47,4,3,1, 187.222, 1
12650621
 
#28

ChemMol: 44002956
eMolecules: 206844395
A&J Pharmtech: AJ-00641
Acros Organics: RF03217
AK Scientific: HTS000659...50 total

ref: mol2, SDF, SMILES, flexibase
1.15,2.39,-6.04,3,3,0, 204.151, 2
ref: mol2, SDF, SMILES, flexibase
1.15,2.17,-6.54,3,3,0, 204.151, 2
6258983
 
#29

eMolecules: 26487622
Molport: MolPort-005-933-097
Scientific Exchange Building Blocks: M-939850
AK Scientific: Y9950
Alfa-Aesar: H52144...42 total

ref: mol2, SDF, SMILES, flexibase
0.28,0.68,-8.45,3,4,0, 166.18, 2
ref: mol2, SDF, SMILES, flexibase
0.28,0.47,-7.04,3,4,0, 166.18, 2
ref: mol2, SDF, SMILES, flexibase
0.41,0.51,-30.18,4,4,1, 167.188, 3
mid: mol2, SDF, SMILES, flexibase
0.41,1.62,-19.26,3,4,0, 166.18, 3

Similar to: 39712885,
6184825
 
#30

Tyger Building Blocks: H31031
ChemDB: 6049119
PubChem: 12208175, 4348187, 34176806
SureChEMBL: SCHEMBL1343854
ref: mol2, SDF, SMILES, flexibase
-1.15,-2.48,-47.47,3,5,-1, 117.084, 2
8205860
 
#31

Bosche Scientific: H13786
Tyger Building Blocks: H31029
ChemDB: 6049117
IBM Patent Data: 135818084
PubChem: 4641082...6 total

ref: mol2, SDF, SMILES, flexibase
-0.46,-1.83,-6.66,3,5,0, 148.162, 4
6453315
 
#32

eMolecules: 45987375
Molport: MolPort-005-933-110
Scientific Exchange (make on demand): F-405662
Alinda Building Blocks: ALBB-014805
Ark Pharm Building Blocks: AK-71292...36 total

ref: mol2, SDF, SMILES, flexibase
-0.42,-1.79,-5.45,3,4,0, 118.136, 3
ref: mol2, SDF, SMILES, flexibase
-0.29,-2.11,-31.71,4,4,1, 119.144, 4

Similar to: 36679234,
6792970
 
#33

eMolecules: 45772460
Molport: MolPort-005-933-111
Anward: ANW-63575
Ark Pharm Building Blocks: AK-79050
BePharm Building Blocks: B144516...28 total

ref: mol2, SDF, SMILES, flexibase
-0.69,-2.54,-7.83,3,4,0, 104.109, 2
ref: mol2, SDF, SMILES, flexibase
-0.56,-2.45,-29.65,4,4,1, 105.117, 3
2547176
 
#34

Scientific Exchange Building Blocks: F-453344
Ark Pharm Building Blocks: AK-60692
BOC Sciences BB: 176860-57-4
Bosche Scientific: D13775
Molport BB: MolPort-005-933-262...17 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.8,-41.33,4,3,1, 220.079, 3
6862894
 
#35

Aldrich CPR: CDS015344|ALDRICH
Apexmol Building Blocks: AM805856
Ark Pharm Building Blocks: AK140358
Bosche Scientific: D13773
Chembo Pharma: KB-279597...16 total

ref: mol2, SDF, SMILES, flexibase
2.55,2.86,-34.98,4,3,1, 220.079, 3
ref: mol2, SDF, SMILES, flexibase
2.42,2.71,-7.13,3,3,0, 219.071, 2
ref: mol2, SDF, SMILES, flexibase
2.42,3,-6.65,3,3,0, 219.071, 2
6373467
 
#36

Aldrich CPR: CBR01465|ALDRICH
Alinda Building Blocks: ALBB-014806
Ark Pharm Building Blocks: AK125341
Bosche Scientific: D13760
ChemBridge BuildingBlocks: 4044130...26 total

ref: mol2, SDF, SMILES, flexibase
-1.03,-4.2,-5.99,4,4,0, 104.109, 2
ref: mol2, SDF, SMILES, flexibase
-0.90,-4.52,-32,5,4,1, 105.117, 3
ref: mol2, SDF, SMILES, flexibase
-1.03,-4.57,-7.35,4,4,0, 104.109, 2

Similar to: 36680687, 36680689,
2547151
 
#37

Molport: MolPort-021-746-217
Alinda Building Blocks: ALBB-022327
Ark Pharm Building Blocks: AK125311
Bosche Scientific: D13759
ChemBridge BuildingBlocks: 4061691...22 total

ref: mol2, SDF, SMILES, flexibase
-0.94,-4.3,-6.22,4,4,0, 104.109, 1
ref: mol2, SDF, SMILES, flexibase
-0.81,-4.33,-29.7,5,4,1, 105.117, 2
2547117
 
#38

Bosche Scientific: C13725
Tyger Building Blocks: C33007
ChemDB: 6049005
PubChem: 40427414, 6294572, 5184982
ref: mol2, SDF, SMILES, flexibase
0.68,-0.04,-6.29,3,3,0, 136.582, 2
6605606
 
#39

Ark Pharm Building Blocks: AK124612
ChemBridge BuildingBlocks: 4033766
Fluorochem: 061512
Molport BB: MolPort-004-296-200
Oakwood Chemical: 061512...12 total

ref: mol2, SDF, SMILES, flexibase
-0.37,-1.36,-38.67,4,4,1, 132.187, 3

Similar to: 26895114, 36678256, 36678257, 36986845, 36986846, ... 11 in total.
2547181
 
#40

BOC Sciences BB: 296766-98-8
Bosche Scientific: D13621
Chembo Pharma: KB-281581
Molport BB: MolPort-005-933-260
PKChem Building Blocks: PKCBB_01692...13 total

ref: mol2, SDF, SMILES, flexibase
0.48,0.91,-9.2,3,3,0, 172.134, 1
ref: mol2, SDF, SMILES, flexibase
0.48,1.04,-9.22,3,3,0, 172.134, 1
4203034
 
#41

American Custom Chemicals Corp.: CHM0014125
Ark Pharm Building Blocks: AK130958, AK-60000
Bide Pharmatech BB: BD121528
BOC Sciences BB: 164916-63-6
Bosche Scientific: B13540...22 total

ref: mol2, SDF, SMILES, flexibase
0.84,6.87,-113.52,1,5,-1, 248.258, 4

Similar to: 4203232, 4203233, 4203234, 4203248, 4203249, ... 9 in total.
12375727
 
#42

ChemMol: 44010147
eMolecules: 206845901, 4354605
Scientific Exchange: L03/020
Scientific Exchange (make on demand): POD_03/0151
Acros Organics: RF01827...89 total

ref: mol2, SDF, SMILES, flexibase
0.25,1.38,-6.32,3,3,0, 136.154, 1
lo: mol2, SDF, SMILES, flexibase
0.25,1.12,-31.48,4,3,1, 137.162, 1
lo: mol2, SDF, SMILES, flexibase
0.25,1.21,-29.03,4,3,1, 137.162, 1
3845060
 
#43

AKOS: AKOS004905030
Enamine Building Blocks: EN300-119248
MolMall (Depleted): 2330
MolMall (formerly Molecular Diversity Preservation International): 11321
Molport BB: MolPort-003-658-774...16 total

ref: mol2, SDF, SMILES, flexibase
1.30,4.12,-46.58,0,3,-1, 171.216, 3

Similar to: 5356123, 38250501, 44199078, 44199080, ... 4 in total.
4202642
 
#44

ChemMol: 30100012, 44000015
eMolecules: 4353807, 2723414
Molport: MolPort-000-000-286, MolPort-005-932-281
AK Scientific: W8886
American Custom Chemicals Corp.: CHM0015827...58 total

ref: mol2, SDF, SMILES, flexibase
0.49,1.99,-43.44,4,3,1, 177.227, 0

Similar to: 34613550, 37018881, 37018882, 37018883, 37018884, ... 12 in total.
4202494
 
#45

ChemMol: 97600221, 97300369, 30114875, 44024333
Molport: MolPort-020-004-240
AK Scientific: Y7366
AKOS: AKOS003621024
Aldrich CPR: CDS006776|ALDRICH...56 total

ref: mol2, SDF, SMILES, flexibase
-1.24,-3.06,-39.45,3,4,0, 193.202, 1

Similar to: 36519519, 36519521, 38527401, 38527402, 39643236, ... 9 in total.
2562487
 
#46

ChemMol: 30114812, 97600322
Molport: MolPort-000-003-737
AK Scientific: V1051, 6262AD, TMBA006
AKOS: AKOS005765931
Aldrich CPR: CDS010761|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
4.94,-0.11,-52.58,1,5,-1, 324.356, 6

Similar to: 2583161, 34585166, 36462950, 44198101, ... 5 in total.
2580865
 
#47

Bosche Scientific: H13130
Tyger Building Blocks: H15265
PubChem: 5875566, 3614062, 26601239
ref: mol2, SDF, SMILES, flexibase
0.30,1.99,-37.11,4,4,1, 172.252, 4

Similar to: 15446610, 36787427, 36789165, 36790761, 37080047, ... 12 in total.
15446601
 
#48

Bosche Scientific: P17572, P13010
Chemstep: 652
Tyger Building Blocks: P24861, P67447
ChEMBL12: CHEMBL201312
ChEMBL19: CHEMBL201312...16 total

ref: mol2, SDF, SMILES, flexibase
-1.34,0.16,-32.61,5,4,1, 137.166, 1
mid: mol2, SDF, SMILES, flexibase
-1.34,0.54,-92.36,6,4,2, 138.174, 1
mid: mol2, SDF, SMILES, flexibase
-1.34,0.87,-91.49,6,4,2, 138.174, 1
lo: mol2, SDF, SMILES, flexibase
-2.04,0.71,-92.63,6,4,2, 138.174, 2
4202265
 
#49

ChemMol: 1036276, 44002192, 30109372, 30202933, 44008408, 97602896, 1203256, 30101763, 97300239, 2000068
eMolecules: 1836591
Molport: MolPort-000-001-478
Acorn PharmaTech: ACN-S003041
ACT Chemical BB: ACT02171...93 total

ref: mol2, SDF, SMILES, flexibase
-1.20,-1.14,-44,2,6,0, 230.264, 3

Similar to: 34928595, 4202264,
4181820
 
#50

ChemMol: 30114786, 97600306
AK Scientific: Z5676
Aldrich CPR: CDS007412|ALDRICH
Anward: ANW-43782
APIChem: AC-22092...46 total

ref: mol2, SDF, SMILES, flexibase
-1.94,-4.88,-41.8,4,4,0, 119.12, 3

Similar to: 4181821,
17064135
 
#51

Bosche Scientific: A12818
Tyger Building Blocks: A43058
ChemDB: 6047785
PubChem: 5358744, 9562013, 321852
Enamine BB Make on Demand: BBV-34298234...8 total

ref: mol2, SDF, SMILES, flexibase
0.10,2.16,-5.68,3,4,0, 131.179, 3
2562488
 
#52

ChemMol: 97600323
eMolecules: 4353136
Molport: MolPort-000-001-470
Acros Organics: 43818
AK Scientific: V1057...71 total

ref: mol2, SDF, SMILES, flexibase
2.78,-0.03,-49,1,5,-1, 202.23, 5

Similar to: 34597601, 36978871, 36978873, 44239165, 44239168, ... 6 in total.
2562486
 
#53

ChemMol: 30114182, 97600321
eMolecules: 4353136
Molport: MolPort-000-001-470
AK Scientific: X6919, Z5673, TMBA003
Aldrich CPR: CDS009448|ALDRICH...60 total

ref: mol2, SDF, SMILES, flexibase
2.78,-0.03,-48.99,1,5,-1, 202.23, 5

Similar to: 34597601, 36978871, 36978873, 44239165, 44239168, ... 6 in total.
15042351
 
#54

eMolecules: 31380912
Molport: MolPort-009-166-156
Aldrich CPR: CDS012732|ALDRICH
Bosche Scientific: H13806
Chembo Pharma: KB-276302...20 total

ref: mol2, SDF, SMILES, flexibase
-0.04,0.59,-9.37,3,4,0, 151.169, 2
ref: mol2, SDF, SMILES, flexibase
0.09,-0.01,-32.31,4,4,1, 152.177, 3
lo: mol2, SDF, SMILES, flexibase
0.09,1.02,-94.29,5,4,2, 153.185, 3
lo: mol2, SDF, SMILES, flexibase
-0.04,0.21,-32,4,4,1, 152.177, 2
lo: mol2, SDF, SMILES, flexibase
-0.04,0.66,-33.58,4,4,1, 152.177, 2
164248
 
#55

ChemMol: 51501998
Chembo Pharma: KB-219742
Synchem UG and Co KG: cdp104de3
Tyger Building Blocks: P32003
BOC Sciences BB (Depleted): 17758-13-3...9 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.5,-17.47,0,3,0, 172.187, 1
2547089
 
#56

Bosche Scientific: B13671
Tyger Building Blocks: B64070
ChemDB: 6048867
PubChem: 5896144, 3691575
ref: mol2, SDF, SMILES, flexibase
0.61,0.65,-7.17,3,3,0, 181.033, 3
4202891
 
#57

Tyger Building Blocks: M30290, M30320
ref: mol2, SDF, SMILES, flexibase
-0.21,0.92,-37.02,2,4,1, 146.166, 2

Similar to: 4202892, 22015881, 26894977,
4202892
 
#58

Tyger Building Blocks: M30290, M30310
ref: mol2, SDF, SMILES, flexibase
-0.21,0.92,-37.06,2,4,1, 146.166, 2

Similar to: 22015881, 26894977, 4202891,
4202264
 
#59

ChemMol: 44002192, 30109371, 44008407, 1036276, 30101763, 97300238, 30202933, 97602895, 1203256, 2000068
eMolecules: 1836591
Molport: MolPort-000-001-478
A&J Pharmtech: AJ-00229
Acorn PharmaTech: ACN-S003041...94 total

ref: mol2, SDF, SMILES, flexibase
-1.20,-1.14,-44.01,2,6,0, 230.264, 3

Similar to: 4202265, 34928595,
4202717
 
#60

Tyger Building Blocks: M16081, M16083
ref: mol2, SDF, SMILES, flexibase
0.05,1.86,-47.48,3,3,1, 197.052, 4

Similar to: 22013466, 26894891, 4202716,
12504600
 
#61

ChemMol: 80100983
eMolecules: 206928774
Molport: MolPort-002-463-771, MolPort-000-002-541
Scientific Exchange (make on demand): F-405495
Aldrich CPR: CDS004478|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.08,-7.52,3,3,0, 170.599, 1
ref: mol2, SDF, SMILES, flexibase
0.88,1.39,-6.15,3,3,0, 170.599, 1
ref: mol2, SDF, SMILES, flexibase
1.01,1.46,-27.91,4,3,1, 171.607, 2
mid: mol2, SDF, SMILES, flexibase
1.01,2.46,-18.18,3,3,0, 170.599, 2

Similar to: 6293029,
16939715
 
#62

eMolecules: 207013999
Alfa-Aesar: H50652
Ark Pharm Building Blocks: AK-62410
Bosche Scientific: H13692
Chembo Pharma: KB-72945...35 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.71,-5.66,3,3,0, 192.262, 2
ref: mol2, SDF, SMILES, flexibase
2.09,3.54,-29.44,4,3,1, 193.27, 3
mid: mol2, SDF, SMILES, flexibase
2.09,4.56,-16.73,3,3,0, 192.262, 3
lo: mol2, SDF, SMILES, flexibase
1.96,3.53,-29.52,4,3,1, 193.27, 2
lo: mol2, SDF, SMILES, flexibase
1.96,3.44,-31.72,4,3,1, 193.27, 2

Similar to: 22144560, 6357890, 6358582, 13014843, ... 4 in total.
4202368
 
#63

ChemMol: 42302487
AK Scientific: 7763AB, 3955AB
Anward: ANW-73140
Ark Pharm Building Blocks: AK106134, AK165774
BePharm Building Blocks: B49125...25 total

ref: mol2, SDF, SMILES, flexibase
-1.37,-1.4,-46.59,3,6,0, 196.162, 3

Similar to: 4204141, 44139107,
4202509
 
#64

ChemMol: 44001689, 44018408
Molport: MolPort-000-005-941
A&J Pharmtech: AJ-02965
Acorn PharmaTech: ACN-S001825
Aldrich CPR: CDS008986|ALDRICH...66 total

ref: mol2, SDF, SMILES, flexibase
0.12,2.03,-56.41,2,3,0, 129.159, 2

Similar to: 4202508,
4290199
 
#65

ChemMol: 44001952
eMolecules: 206844421
AK Scientific: Y9008
Aldrich CPR: CDS003191|ALDRICH
Alfa-Aesar: H58744...56 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.17,-5.86,3,3,0, 204.151, 2
ref: mol2, SDF, SMILES, flexibase
1.12,2.38,-7.92,3,3,0, 204.151, 2
hi: mol2, SDF, SMILES, flexibase
4.54,9.59,-14.65,1,7,0, 443.532, 5
4504088
 
#66

Bosche Scientific: A12817
Enamine Building Blocks: EN300-109315
Ryan Scientific BB: 047-77068
Tyger Building Blocks: A43057
ChemDB: 6047784...12 total

ref: mol2, SDF, SMILES, flexibase
-0.65,0.69,-6.46,3,4,0, 103.125, 1

Similar to: 34345807,
6621959
 
#67

Aldrich CPR: CDS009399|ALDRICH
Alfa-Aesar: H51796
AsisChem: PKCBB_00232
Bosche Scientific: H13809
PKChem Building Blocks: PKCBB_00232...14 total

ref: mol2, SDF, SMILES, flexibase
-1.32,-0.92,-18.43,4,5,0, 167.168, 1
ref: mol2, SDF, SMILES, flexibase
-1.32,-1.58,-13.83,4,5,0, 167.168, 1
hi: mol2, SDF, SMILES, flexibase
-0.71,-1,-48.69,3,5,-1, 166.16, 1
8376389
 
#68

Bosche Scientific: D13633
Tyger Building Blocks: D33068
ChemDB: 6048793
SureChEMBL: SCHEMBL3237528
ref: mol2, SDF, SMILES, flexibase
1.51,-0.13,-6.01,4,4,0, 309.945, 1
mid: mol2, SDF, SMILES, flexibase
1.66,0.79,-33.15,4,4,0, 309.945, 1
hi: mol2, SDF, SMILES, flexibase
1.51,0.42,-36.91,3,4,-1, 308.937, 1
hi: mol2, SDF, SMILES, flexibase
1.51,0.64,-34.02,3,4,-1, 308.937, 1
4202320
 
#69

ChemMol: 30203203, 44007522, 30113221, 1202794, 97802114, 44006295, 44029528, 30109634
eMolecules: 18924147
Molport: MolPort-008-155-715, MolPort-002-345-552
Acorn PharmaTech: ACN-S002914
AK Scientific: W7764...107 total

ref: mol2, SDF, SMILES, flexibase
-2.28,-2.46,-37.65,2,4,0, 131.131, 1

Similar to: 4202319,
4202372
 
#70

ChemMol: 42302452, 44016587
eMolecules: 886263
Molport: MolPort-000-000-421
AK Scientific: Z5958
Alfa-Aesar: B22812...50 total

ref: mol2, SDF, SMILES, flexibase
-1.19,-1.19,-40.58,3,3,0, 169.155, 2

Similar to: 4204145, 33929792, 33931670,
4202370
 
#71

ChemMol: 44021180, 42302478
eMolecules: 45491865
Molport: MolPort-000-000-419
A&J Pharmtech: AJ-00662
AK Scientific: 6923AA...52 total

ref: mol2, SDF, SMILES, flexibase
-0.43,3.34,-42.02,3,3,0, 219.162, 3

Similar to: 4204143, 34384615, 34384616,
6796236
 
#72

Bosche Scientific: C13743
Tyger Building Blocks: C33050
ChemDB: 6049043
PubChem: 4110679, 6012408
ref: mol2, SDF, SMILES, flexibase
1.28,1.84,-5.83,3,3,0, 184.626, 1
2547093
 
#73

Molport: MolPort-020-004-264, MolPort-000-001-661
Alfa-Aesar: H66891
Bosche Scientific: B10269
Chembo Pharma: KB-124326
Combi-Blocks: SS-3407...31 total

ref: mol2, SDF, SMILES, flexibase
1.94,2.42,-6.72,3,3,0, 229.077, 2
ref: mol2, SDF, SMILES, flexibase
1.94,2.75,-6.91,3,3,0, 229.077, 2
ref: mol2, SDF, SMILES, flexibase
2.07,2.45,-38.79,4,3,1, 230.085, 3
6755998
 
#74

Aldrich CPR: CDS011788|ALDRICH
Bosche Scientific: H14021
Enamine Building Blocks: EN300-43245
Molport BB: MolPort-000-004-015
Ryan Scientific BB: 000-33380...15 total

ref: mol2, SDF, SMILES, flexibase
1.27,0.34,-5.54,3,3,0, 116.164, 3
lo: mol2, SDF, SMILES, flexibase
1.27,0.28,-31.27,4,3,1, 117.172, 3
lo: mol2, SDF, SMILES, flexibase
1.27,0.37,-30.97,4,3,1, 117.172, 3

Similar to: 34369629,
2547301
 
#75

Molport: MolPort-005-933-122
Aldrich CPR: CDS003900|ALDRICH
Bosche Scientific: H14020
Enamine Building Blocks: EN300-54757
Fluorochem: 091252...20 total

ref: mol2, SDF, SMILES, flexibase
0.98,-0.07,-5.27,3,3,0, 116.164, 2
ref: mol2, SDF, SMILES, flexibase
1.11,0.08,-30.31,4,3,1, 117.172, 3
lo: mol2, SDF, SMILES, flexibase
0.98,0.03,-31.15,4,3,1, 117.172, 2
lo: mol2, SDF, SMILES, flexibase
0.98,0.1,-30.22,4,3,1, 117.172, 2

Similar to: 34369629,
3683254
 
#76

ChemMol: 44022299, 44021079, 44010541, 97602958
eMolecules: 715539, 1398958
Molport: MolPort-000-006-302, MolPort-002-176-068
ACT Chemical BB: ACT09700
AK Scientific: W3297...116 total

ref: mol2, SDF, SMILES, flexibase
0.92,5.22,-37.18,2,3,0, 177.203, 1
hi: mol2, SDF, SMILES, flexibase
0.92,4,-51.04,1,3,-1, 176.195, 1

Similar to: 41756273, 41756274,
4202714
 
#77

Tyger Building Blocks: C12513
ChemDB: 6048204
PubChem: 4101109, 17974560, 51400845, 42614180
SureChEMBL: SCHEMBL5701914, SCHEMBL3778795
ref: mol2, SDF, SMILES, flexibase
2.13,-1.14,-49.29,1,5,-1, 315.143, 7

Similar to: 4202715,
1712
 
#78

ChemMol: 98000256, 44033183, 1201242, 30104685
eMolecules: 513564
Molport: MolPort-000-872-072
TCM Database @ Taiwan: 42596
Acros Organics: 12696...256 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.31,-6.78,1,3,0, 152.149, 2
391981
 
#79

ChemMol: 1202623, 30100220, 98000422, 44000287
eMolecules: 513954
Acros Organics: 10535
Alfa-Aesar: A15947
Angene Building Blocks: AGN-PC-0JK9W3...156 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.34,-179.08,0,6,-3, 207.117, 3

Similar to: 33796387, 33800694, 40981191,
968233
 
#80

ChemMol: 44009634, 98000352, 1202387
eMolecules: 480157
Molport: MolPort-000-872-026
Acros Organics: 10556, 21968
Alfa-Aesar: B24816...642 total

ref: mol2, SDF, SMILES, flexibase
3.39,7.73,-7.51,0,1,0, 182.222, 2
6756617
 
#81

ChemMol: 2100178
Aldrich CPR: CDS007801|ALDRICH
Bosche Scientific: H13807
Enamine Building Blocks: EN300-112128
Molport BB: MolPort-004-321-082...16 total

ref: mol2, SDF, SMILES, flexibase
-0.10,0.35,-8.78,3,4,0, 151.169, 2
ref: mol2, SDF, SMILES, flexibase
-0.10,0.01,-9.38,3,4,0, 151.169, 2
lo: mol2, SDF, SMILES, flexibase
-0.10,0.81,-34.72,4,4,1, 152.177, 2
lo: mol2, SDF, SMILES, flexibase
-0.10,0.48,-34.51,4,4,1, 152.177, 2
4504085
 
#82

American Custom Chemicals Corp.: NEW0100967
BOC Sciences BB: 104065-67-0
Bosche Scientific: M12665
Chembo Pharma: KB-54161
Tetrahedron Building Blocks: TS06937...10 total

ref: mol2, SDF, SMILES, flexibase
0.57,3.41,-4.43,0,3,0, 144.17, 4

Similar to: 1420478,
4202319
 
#83

ChemMol: 30113221, 1202794, 30109634, 97801686, 30203654, 44006295, 44032079, 97802113
eMolecules: 18924147
Molport: MolPort-008-155-715
Acorn PharmaTech: ACN-S002914
AK Scientific: W7764...100 total

ref: mol2, SDF, SMILES, flexibase
-2.28,-2.47,-37.68,2,4,0, 131.131, 1
hi: mol2, SDF, SMILES, flexibase
2.95,8.86,-82.08,6,7,2, 466.536, 4

Similar to: 4202320,
6453052
 
#84

BOC Sciences BB: 280110-81-8
Bosche Scientific: D13767
Chembo Pharma: KB-279632
KeyOrganics: TS-02599
Tyger Building Blocks: D33030...11 total

ref: mol2, SDF, SMILES, flexibase
1.50,1.89,-28.84,4,3,1, 187.169, 3
ref: mol2, SDF, SMILES, flexibase
1.36,2.18,-7.28,3,3,0, 186.161, 2
2547101
 
#85

Aldrich CPR: BOG00086|ALDRICH
Alfa-Aesar: H58108
Bosche Scientific: B13690
Sigma Aldrich (Building Blocks): BOG00086|ALDRICH
Tyger Building Blocks: B64093...9 total

ref: mol2, SDF, SMILES, flexibase
2.12,4.39,-5.85,3,3,0, 192.262, 4
lo: mol2, SDF, SMILES, flexibase
2.12,4.21,-29.42,4,3,1, 193.27, 4
lo: mol2, SDF, SMILES, flexibase
2.12,4.12,-31.67,4,3,1, 193.27, 4

Similar to: 6357890, 6358582,
2560677
 
#86

ACT Chemical BB: ACT04327
Alfa-Aesar: H62450, H62336
Apexmol Building Blocks: AM20090314
Ark Pharm Building Blocks: AK-44613
Bachem: A-3215...29 total

ref: mol2, SDF, SMILES, flexibase
-0.22,0.44,-72.44,4,6,0, 218.253, 6

Similar to: 2392269,
4204310
 
#87

AK Scientific: 4425AC
AKOS: AKOS015995267
Anward: ANW-66523
Apexmol Building Blocks: AM804494
Ark Pharm Building Blocks: AK-40857...18 total

ref: mol2, SDF, SMILES, flexibase
1.32,5.87,-48.26,3,4,1, 249.334, 3

Similar to: 34581125, 34581126, 34581127, 34581128, ... 5 in total.
4204309
 
#88

AK Scientific: 4425AC
AKOS: AKOS015995267
Anward: ANW-66523
Apexmol Building Blocks: AM804494
Ark Pharm Building Blocks: AK-40857...18 total

ref: mol2, SDF, SMILES, flexibase
1.32,5.86,-48.17,3,4,1, 249.334, 3

Similar to: 4204310, 34581125, 34581126, 34581127, 34581128, ... 5 in total.
2574073
 
#89

AK Scientific: AMTDA072
AKOS: AKOS000124685
Angene Building Blocks: AGN-PC-0KL1UK
Anward: ANW-23690
Apexmol Building Blocks: AM20030271...43 total

ref: mol2, SDF, SMILES, flexibase
4.51,3.49,-51.25,0,2,-1, 265.21, 3

Similar to: 44201038, 1258469,
2513135
 
#90

ChemMol: 96709391
eMolecules: 932696
Molport: MolPort-021-795-156, MolPort-003-823-751
AK Scientific: V0029
AKOS: AKOS009158208...70 total

ref: mol2, SDF, SMILES, flexibase
-0.74,0.58,-44.39,2,4,1, 180.231, 2
4204285
 
#91

Bosche Scientific: M14211
Chembo Pharma: KB-27643
Combi-Blocks: CA-4850
Molport BB: MolPort-000-004-680
Ryan Scientific BB: 077-32735...10 total

ref: mol2, SDF, SMILES, flexibase
4.03,0.97,-52.26,0,2,-1, 243.307, 3
2574066
 
#92

ChemMol: 44026463, 44017042, 30112041
eMolecules: 812690
Molport: MolPort-000-004-675
AK Scientific: AMTDA059
AKOS: AKOS000314404...41 total

ref: mol2, SDF, SMILES, flexibase
3.65,1.49,-53.18,0,3,-1, 227.239, 3

Similar to: 40174848, 44199435,
2574064
 
#93

ChemMol: 44017044
Molport: MolPort-000-004-673
AK Scientific: AMTDA021
AKOS: AKOS002678278
Alfa-Aesar: H51767...34 total

ref: mol2, SDF, SMILES, flexibase
3.65,1.34,-52.67,0,3,-1, 227.239, 3

Similar to: 32003160, 44201031,
1705504
 
#94

ChemMol: 2000831, 30111061, 44002156, 1036268, 97802097, 96708794
eMolecules: 2719712
Molport: MolPort-000-004-073
Scientific Exchange Building Blocks: F-367068
Acorn PharmaTech: ACN-S003391...91 total

ref: mol2, SDF, SMILES, flexibase
0.48,2,-33.15,2,2,1, 130.211, 1

Similar to: 15635501, 34959111, 34959112, 36720957, 41654536, ... 5 in total.
4204237
 
#95

AK Scientific: V3850
AKOS: AKOS004117024
Angene Building Blocks: AGN-PC-03X8EH
Anward: ANW-22892
Ark Pharm Building Blocks: AK-92931...23 total

ref: mol2, SDF, SMILES, flexibase
5.34,5.66,-50.46,0,2,-1, 333.207, 4

Similar to: 1258469, 2574069,
4204236
 
#96

AK Scientific: V4093
AKOS: AKOS004116984
Angene Building Blocks: AGN-PC-0NA366
Anward: ANW-23692
Ark Pharm Building Blocks: AK-92930...23 total

ref: mol2, SDF, SMILES, flexibase
5.36,5.65,-48.76,0,2,-1, 333.207, 4

Similar to: 44201038, 1258469,
2581028
 
#97

ChemMol: 44007497, 44026465
AK Scientific: 9924AA
AKOS: AKOS000813941
Anward: ANW-58491
Ark Pharm Building Blocks: AK-81521...26 total

ref: mol2, SDF, SMILES, flexibase
4.93,1.02,-48.17,0,2,-1, 266.103, 2
2386679
 
#98

ChemMol: 44026460
eMolecules: 932536
Molport: MolPort-000-003-169
AK Scientific: 8538AE
AKOS: AKOS000124458...36 total

ref: mol2, SDF, SMILES, flexibase
4.93,1.03,-49.28,0,2,-1, 266.103, 2
2513032
 
#99

ChemMol: 44001997
AK Scientific: V5401
Angene Building Blocks: AGN-PC-0LPLQH
Anward: ANW-28056
Ark Pharm Building Blocks: AK-96081...27 total

ref: mol2, SDF, SMILES, flexibase
3.90,2.79,-48.31,0,2,-1, 233.193, 2

Similar to: 1260580,
2243193
 
#100

ChemMol: 1036162, 44027344, 96705616, 2000600, 44012976
AK Scientific: W3148
AKOS: AKOS005063363
Alfa-Aesar: L19555
Angene Building Blocks: AGN-PC-0KKMG3...87 total

ref: mol2, SDF, SMILES, flexibase
0.79,2.6,-43.08,2,1,1, 122.138, 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 = 76 ) limit 0,100

Smiles were