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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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2584112
 
#1

eMolecules: 840853
AK Scientific: 2538AA, V5684
AKOS: AKOS000122179
Alinda: IVK/0054012
Alinda Building Blocks: ALBB-001488...43 total

ref: mol2, SDF, SMILES, flexibase
2.23,0.05,-5.75,2,2,0, 193.58, 2
730497
 
#2

ChemMol: 30111995, 44019588
Molport: MolPort-002-498-057
A&J Pharmtech: AJ-00726
AK Scientific: V6475, 3934AA
Anward: ANW-56366...31 total

ref: mol2, SDF, SMILES, flexibase
-0.96,4.62,-7.37,0,6,0, 188.146, 0
mid: mol2, SDF, SMILES, flexibase
-0.96,5.11,-44.5,1,6,1, 189.154, 0
mid: mol2, SDF, SMILES, flexibase
-0.96,5.6,-98.27,2,6,2, 190.162, 0
81991120
 
#3

Anward: ANW-54161
Ark Pharm Building Blocks: AK-53616
BePharm Building Blocks: B215259
Bide Pharmatech BB: BD215259
Chembo Pharma: KB-218488...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,5.87,-2.4,0,0,0, 207.017, 0
43828356
 
#4

AK Scientific: 3437AA
Anward: ANW-53181
Ark Pharm Building Blocks: AK-28182
BePharm Building Blocks: B207729
Bide Pharmatech BB: BD207729...16 total

ref: mol2, SDF, SMILES, flexibase
1.82,3.94,-5.4,0,4,0, 291.934, 0
87611298
 
#5

Ark Pharm Building Blocks: AK-54728
BePharm Building Blocks: B123178
Bide Pharmatech BB: BD123178
Chembo Pharma: KB-259819
87611297
 
#6

AK Scientific: Y5082
Alfa-Aesar: H66400
Angene Building Blocks: AGN-PC-0QWSNS
Apexmol Building Blocks: AM62695
Ark Pharm Building Blocks: AK-34063...22 total

hi: mol2, SDF, SMILES, flexibase
2.85,5.47,-11.01,2,6,0, 377.444, 7
87611296
 
#7

Ark Pharm Building Blocks: AK-65186
BePharm Building Blocks: B89299
Bide Pharmatech BB: BD89299
Chembo Pharma: KB-233805
Tractus: TRA0082173...6 total

87515509
 
#8

AK Scientific: W4448, X5010
Angene Building Blocks: AGN-PC-0O877E
Apexmol Building Blocks: AM20090190
Ark Pharm Building Blocks: AK-73105
BePharm Building Blocks: B92347...51 total

87493112
 
#9

eMolecules: 476660, 1012711, 25765331
Molport: MolPort-001-769-432, MolPort-001-761-289
Acros Organics: 14615, 38289
AK Scientific: V0133, 9403AB, 6605AA
AKOS: AKOS000100795...85 total

2559005
 
#10

Acros Organics: 33724
Anward: ANW-53706
Ark Pharm Building Blocks: AK-88383
BePharm Building Blocks: B232013
Bide Pharmatech BB: BD232013...21 total

ref: mol2, SDF, SMILES, flexibase
0.59,-7.97,-45.83,1,5,-1, 325.547, 2
4692468
 
#11

ChemMol: 2000167, 30102291, 1035714, 83601399, 96700602, 96700273
eMolecules: 502628, 44861925
Molport: MolPort-019-938-044, MolPort-002-051-411
Scientific Exchange (make on demand): X-047945, POD_66/0791
Acros Organics: 13220...150 total

ref: mol2, SDF, SMILES, flexibase
0.78,1.63,-47.02,1,3,-1, 160.152, 0
ref: mol2, SDF, SMILES, flexibase
0.72,2.83,-8.53,1,3,0, 161.16, 0

Similar to: 32201476, 32225335,
2046243
 
#12

ChemMol: 44027705, 30114918, 97600196
Molport: MolPort-016-580-577
Acros Organics: 43732
AK Scientific: V7075, M624
Angene Building Blocks: AGN-PC-0O839Q...70 total

ref: mol2, SDF, SMILES, flexibase
-2.60,-1,-38.24,3,3,0, 113.116, 2

Similar to: 32223434, 32223436, 32223438, 32223440, ... 4 in total.
19801177
 
#13

Molport: MolPort-003-741-341, MolPort-008-440-401
AK Scientific: 7310AA
Anward: ANW-53662
Ark Pharm Building Blocks: AK-64986
BePharm Building Blocks: B216736...23 total

ref: mol2, SDF, SMILES, flexibase
1.45,3.68,-40.25,2,3,1, 221.324, 4

Similar to: 37095981,
403178
 
#14

eMolecules: 512056
Molport: MolPort-004-525-352
ACT Chemical BB: ACT04173
AK Scientific: 6908AB
AKOS: AKOS001282212...56 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-2.14,-41.84,5,3,1, 168.216, 3

Similar to: 6091357, 32133390, 32133392, 38207614, 38213838, ... 5 in total.
12647599
 
#15

ChemMol: 44019575, 44027512, 2001074, 30107449
Molport: MolPort-002-500-022
AK Scientific: 5943AA
AKOS: AKOS015848202
Aldrich CPR: CDS013889|ALDRICH...75 total

ref: mol2, SDF, SMILES, flexibase
-1.78,2.21,-44.55,4,5,0, 232.239, 3

Similar to: 39234905, 39374072, 39374083,
2512908
 
#16

ChemMol: 44027512, 44019575, 30107449, 2001074
Molport: MolPort-002-500-022
AK Scientific: 5943AA
AKOS: AKOS015848202
Aldrich CPR: CDS013889|ALDRICH...82 total

ref: mol2, SDF, SMILES, flexibase
-1.78,2.01,-40.28,4,5,0, 232.239, 3

Similar to: 12647599, 39234905, 39374072, 39374083, ... 4 in total.
538065
 
#17

ChemMol: 30102849, 44002896, 97900063
Molport: MolPort-003-983-466
Active BioPharma: 118
AKOS: AKOS015846321
Anward: ANW-44895...126 total

ref: mol2, SDF, SMILES, flexibase
4.06,14.82,-48.69,1,7,1, 471.025, 10
mid: mol2, SDF, SMILES, flexibase
4.06,12.61,-18.23,0,7,0, 470.017, 10

Similar to: 598736,
8698496
 
#18

ChemMol: 44029256
AK Scientific: Z5331
Anward: ANW-44995
Ark Pharm Building Blocks: AK-22006
BePharm Building Blocks: B219547...25 total

ref: mol2, SDF, SMILES, flexibase
2.43,2.84,-26.82,1,3,1, 234.319, 4

Similar to: 42176880, 44517748, 45663953,
21981960
 
#19

ChemMol: 51502278, 1032894, 44033701
Molport: MolPort-015-144-218, MolPort-020-003-025
Scientific Exchange Building Blocks: F-456883
AK Scientific: Z9125, W9832
Amadis Chemical: A845791...48 total

ref: mol2, SDF, SMILES, flexibase
0.62,-1.13,-12.15,3,3,0, 144.561, 0
2516980
 
#20

ChemMol: 1030688, 83601067, 44022845, 97801892, 30201145
eMolecules: 519952
Molport: MolPort-020-014-056, MolPort-002-797-227
ACT Chemical BB: ACT10821
AK Scientific: 5443AB...111 total

ref: mol2, SDF, SMILES, flexibase
0.25,3.91,-42.01,3,1,1, 136.218, 1

Similar to: 2577186,
1728283
 
#21

AK Scientific: 2266AA, W7096
Anward: ANW-53658
Ark Pharm Building Blocks: AK-88073, AK109496
BePharm Building Blocks: B227889
BioSynth: W-106516...26 total

ref: mol2, SDF, SMILES, flexibase
1.18,1.35,-7.1,2,4,0, 181.191, 4
18213438
 
#22

Amidohydrolase AH-EFI: "4-hydroxy-2,5,6-tri
ChemMol: 96700827, 30100939, 44001396, 30108983, 44010690
eMolecules: 979539
Molport: MolPort-022-879-066
AK Scientific: I153...108 total

ref: mol2, SDF, SMILES, flexibase
-1.50,-2.37,-11.3,7,6,0, 141.134, 0
ref: mol2, SDF, SMILES, flexibase
-1.50,-3.04,-20.86,7,6,0, 141.134, 0
hi: mol2, SDF, SMILES, flexibase
-0.20,1.26,-97.29,9,11,2, 437.508, 5

Similar to: 25492647,
2384138
 
#23

ChemMol: 44007281, 51501008, 97806632, 1036409
Scientific Exchange Building Blocks: F-332311
Alfa-Aesar: H28782
Angene Building Blocks: AGN-PC-0KKPA3
Anward: ANW-44116...46 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.53,-5.42,1,1,0, 185.148, 1

Similar to: 38213118, 38247321,
86040400
 
#24

eMolecules: 206844391
Molport: MolPort-019-904-259
Acros Organics: 42995
AK Scientific: W7901, HTS003436
AKOS: AKOS001081379...43 total

ref: mol2, SDF, SMILES, flexibase
0.42,1.44,-5.95,3,3,0, 154.144, 1
1577145
 
#25

ChemMol: 44006353, 1030837
eMolecules: 206843036
Molport: MolPort-000-871-233
AK Scientific: 5172AB, R559
AKOS: AKOS000268562...61 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.73,-10.25,0,2,0, 122.123, 2

Similar to: 6096965,
85344729
 
#26

AK Scientific: W3977, 9609AA
Anward: ANW-60993, ANW-47998
Ark Pharm Building Blocks: AK-78946, AK-72541
BePharm Building Blocks: B27857, B27856
Bide Pharmatech BB: BD27856...24 total

403422
 
#27

ChemMol: 2101946, 44002386, 1203331, 30102038, 98001798
Acros Organics: 34506
AKOS: AKOS015853212
Alfa-Aesar: L19237
Angene Building Blocks: AGN-PC-0KK6AE...59 total

ref: mol2, SDF, SMILES, flexibase
1.84,3.69,-41.21,0,3,-1, 205.111, 2

Similar to: 38285343,
402836
 
#28

ChemMol: 42302334, 97600169, 30108727, 44008727
Molport: MolPort-016-581-061
AK Scientific: W3070
Aldrich CPR: R262129|ALDRICH
Alfa-Aesar: H27135...84 total

ref: mol2, SDF, SMILES, flexibase
-0.60,3.45,-40.89,3,3,0, 199.637, 3

Similar to: 3679843, 3679844, 3679845, 3679846, 3679941, ... 11 in total.
4792797
 
#29

Scientific Exchange Building Blocks: F-397092
AK Scientific: Y1668, W6069
Anward: ANW-45773
Ark Pharm Building Blocks: AK-88557
BePharm Building Blocks: B242693...34 total

ref: mol2, SDF, SMILES, flexibase
3.01,-0.23,-35.64,2,1,1, 142.266, 1
4695353
 
#30

ChemMol: 44026062, 96705528, 44016816, 44006583
eMolecules: 713526
Molport: MolPort-001-792-528
Acros Organics: 23286, SEW04290
AK Scientific: V4704...89 total

ref: mol2, SDF, SMILES, flexibase
1.67,5.83,-46.01,2,2,1, 190.266, 2

Similar to: 34344015, 39221992,
3750723
 
#31

AK Scientific: W4286
AKOS: AKOS002392990
Angene Building Blocks: AGN-PC-0L8642
Anward: ANW-24025
Apexmol Building Blocks: AM62278...23 total

ref: mol2, SDF, SMILES, flexibase
2.91,-0.45,-44.18,0,2,-1, 292.934, 2
2389932
 
#32

ChemMol: 44022019, 44029196, 30116242, 44035313, 44027154
eMolecules: 884038, 36378223
Molport: MolPort-002-345-635
Acros Organics: CD05159
AK Scientific: Y9090...111 total

ref: mol2, SDF, SMILES, flexibase
-0.97,0.63,-36.35,4,3,1, 122.151, 1
lo: mol2, SDF, SMILES, flexibase
-0.97,0.91,-93.81,5,3,2, 123.159, 1
110870
 
#33

eMolecules: 1457692, 46475231, 32442106
Molport: MolPort-000-942-827
Scientific Exchange (make on demand): M-128901, M-949789, T-003440
AKOS: AKOS008039586, AKOS000232836, AKOS003302248
Alfa-Aesar: H55180...87 total

ref: mol2, SDF, SMILES, flexibase
3.01,0.23,-48.34,2,3,1, 258.341, 6

Similar to: 172169, 6490656, 34227442, 34834123, ... 4 in total.
16159956
 
#34

ChemMol: 44015857, 1037275
AK Scientific: X2951
Anward: ANW-45841
Apollo Scientific: PC9246
Ark Pharm Building Blocks: AK-24249...32 total

ref: mol2, SDF, SMILES, flexibase
2.88,5.26,-7,0,1,0, 250.01, 1
24601075
 
#35

ChemMol: 44030516
Molport: MolPort-020-014-399
AK Scientific: W7827
AKOS: AKOS006332670
Amadis Chemical: A847149...29 total

ref: mol2, SDF, SMILES, flexibase
0.30,1.93,-15.89,1,3,0, 146.149, 0
55161547
 
#36

ChemMol: 1202274, 1035940, 30109805, 44008801, 98002513, 97806673, 1200718
AK Scientific: X8149
Anward: ANW-21583
Apexmol Building Blocks: AM61340
APIChem: AC-4473...35 total

ref: mol2, SDF, SMILES, flexibase
4.01,6.3,-1.51,0,0,0, 318.886, 0
19088483
 
#37

ChemMol: 44006814, 97802743
eMolecules: 11642440
Molport: MolPort-004-766-344
AK Scientific: W5458
Aldrich CPR: PH009918|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
1.64,3.07,-17.52,0,4,0, 148.121, 1
21982500
 
#38

ChemMol: 1037423, 30108565, 44009858, 1037271
AK Scientific: W9011
Anward: ANW-47419
Apexmol Building Blocks: AM62126
APIChem: AC-1469...26 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.36,-5.43,0,1,0, 250.01, 1
2033896
 
#39

ChemMol: 44016513, 30114275
Acros Organics: 44018
AK Scientific: W7664
AKOS: AKOS011897740
Angene Building Blocks: AGN-PC-0JKGT4...34 total

ref: mol2, SDF, SMILES, flexibase
3.53,7.18,-2.44,0,0,0, 219.509, 2
55161297
 
#40

ChemMol: 30115102, 98002603, 44015451, 1035888, 1200725
AK Scientific: X8116
Angene Building Blocks: AGN-PC-0KL1VH
Anward: ANW-16956
Apexmol Building Blocks: AM61264...41 total

ref: mol2, SDF, SMILES, flexibase
3.92,6.24,-2.02,0,0,0, 300.896, 0
36379650
 
#41

AK Scientific: W5012
Angene Building Blocks: AGN-PC-0N2DVU
Anward: ANW-26100
Apexmol Building Blocks: AM20090334
Ark Pharm Building Blocks: AK-49635...37 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.24,-7.11,2,3,0, 163.224, 1

Similar to: 34534823, 34590640, 34622286,
86012952
 
#42

eMolecules: 526347, 33449821
Molport: MolPort-019-922-340, MolPort-001-030-129
ACB Blocks: ATI-0035
Acros Organics: 43249
AK Scientific: W4250...86 total

87515510
 
#43

AK Scientific: W4448
Apexmol Building Blocks: AM20090190
Ark Pharm Building Blocks: AK-73105
BePharm Building Blocks: B92347
Bide Pharmatech BB: BD92347...28 total

33835391
 
#44

AK Scientific: W8723
AKOS: AKOS015916876
Angene Building Blocks: AGN-PC-0LQ1CZ
Anward: ANW-49191
Ark Pharm Building Blocks: AK-27942...23 total

ref: mol2, SDF, SMILES, flexibase
1.11,-2.12,-11.57,1,5,0, 179.179, 2
72187498
 
#45

AK Scientific: W5742
AKOS: AKOS015920088
Angene Building Blocks: AGN-PC-0NISKV
Anward: ANW-49201
Ark Pharm Building Blocks: AK-68009...19 total

ref: mol2, SDF, SMILES, flexibase
1.91,2.83,-4.69,0,3,0, 173.99, 0
16929766
 
#46

ChemMol: 44007564
Acros Organics: 39950
AK Scientific: V5338, W4702
AKOS: AKOS000280735, AKOS015845096
American Custom Chemicals Corp.: ING0003185...85 total

ref: mol2, SDF, SMILES, flexibase
0.56,1.96,-11.51,2,4,0, 159.185, 5
ref: mol2, SDF, SMILES, flexibase
0.56,1.27,-5.9,2,4,0, 159.185, 5

Similar to: 38632756,
34154457
 
#47

Molport: MolPort-012-576-342
AK Scientific: W5153
Anward: ANW-49215
Ark Pharm Building Blocks: AK-76562
BePharm Building Blocks: B222294...17 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.82,-41.79,3,3,1, 146.21, 5
mid: mol2, SDF, SMILES, flexibase
0.82,2.49,-3.49,2,3,0, 145.202, 5
72187497
 
#48

AK Scientific: W6746
AKOS: AKOS015920256
Anward: ANW-49224
Apexmol Building Blocks: AM20100297
Ark Pharm Building Blocks: AK-76668...20 total

ref: mol2, SDF, SMILES, flexibase
1.77,5.19,-6.44,0,3,0, 167.599, 0
21298238
 
#49

American Custom Chemicals Corp.: CHM0004850
Anward: ANW-49228
APIChem: AC-1792
Ark Pharm Building Blocks: AK-28874, AK-38989
BePharm Building Blocks: B32590...26 total

ref: mol2, SDF, SMILES, flexibase
0.03,0.24,-46.38,3,5,1, 217.289, 3
mid: mol2, SDF, SMILES, flexibase
0.03,-1.15,-6.95,2,5,0, 216.281, 3

Similar to: 22114009,
72187496
 
#50

Molport: MolPort-020-257-251
AK Scientific: X9920
AKOS: AKOS015920236
Angene Building Blocks: AGN-PC-0BL85B
Anward: ANW-49244...21 total

ref: mol2, SDF, SMILES, flexibase
2.91,6.01,-6.85,0,3,0, 266.094, 2
72187495
 
#51

AK Scientific: W9715
AKOS: AKOS015920283
Anward: ANW-49281
Ark Pharm Building Blocks: AK-75836
BePharm Building Blocks: B220222...21 total

ref: mol2, SDF, SMILES, flexibase
2.46,5.29,-13.15,0,5,0, 273.679, 2
72187494
 
#52

Molport: MolPort-020-393-561
AK Scientific: X8914
AKOS: AKOS015920022
Anward: ANW-49301
Ark Pharm Building Blocks: AK-39262...23 total

ref: mol2, SDF, SMILES, flexibase
1.59,4.98,-6.31,1,2,0, 156.188, 0
mid: mol2, SDF, SMILES, flexibase
1.59,4.94,-8.83,1,2,0, 156.188, 0
22114009
 
#53

AK Scientific: W4322
Aldrich CPR: CDS019465|ALDRICH
American Custom Chemicals Corp.: CCH0001359
Anward: ANW-49228
Apexmol Building Blocks: AM20070680...32 total

ref: mol2, SDF, SMILES, flexibase
0.03,1.15,-46.62,3,5,1, 217.289, 3
mid: mol2, SDF, SMILES, flexibase
0.03,-0.27,-7.01,2,5,0, 216.281, 3

Similar to: 21298238,
19166957
 
#54

Alfa-Aesar: 43793
Anward: ANW-16097
Apexmol Building Blocks: AM20080045
Ark Pharm Building Blocks: AK-41264
BePharm Building Blocks: B17496...19 total

ref: mol2, SDF, SMILES, flexibase
-1.98,-3.75,-34.8,5,3,1, 77.107, 2
mid: mol2, SDF, SMILES, flexibase
-1.98,-4.51,-40,5,3,1, 77.107, 2
mid: mol2, SDF, SMILES, flexibase
-1.98,-4.39,-6.85,4,3,0, 76.099, 2
72187493
 
#55

AK Scientific: X9590
AKOS: AKOS015919877
Angene Building Blocks: AGN-PC-0BL83X
Anward: ANW-49326
Ark Pharm Building Blocks: AK-32290...21 total

ref: mol2, SDF, SMILES, flexibase
0.09,2.36,-9.42,1,5,0, 215.249, 2
72187492
 
#56

AK Scientific: X9590
AKOS: AKOS015919877
Angene Building Blocks: AGN-PC-0BL83X
Anward: ANW-49326
Ark Pharm Building Blocks: AK-32290...21 total

ref: mol2, SDF, SMILES, flexibase
0.09,2.36,-9.43,1,5,0, 215.249, 2
72187491
 
#57

Molport: MolPort-020-180-083
BePharm Building Blocks: B41152
Molport BB: MolPort-020-180-083
ref: mol2, SDF, SMILES, flexibase
2.44,8,-17.91,0,6,0, 414.498, 2
72187490
 
#58

Molport: MolPort-020-180-083
AKOS: AKOS015920254
Ark Pharm Building Blocks: AK-73027
BePharm Building Blocks: B41152
Molport BB: MolPort-020-180-083...8 total

ref: mol2, SDF, SMILES, flexibase
2.44,8.51,-20.75,0,6,0, 414.498, 2
72187489
 
#59

Molport: MolPort-020-180-082
AK Scientific: X9432
AKOS: AKOS015920118
Anward: ANW-49344
Ark Pharm Building Blocks: AK-70928...22 total

ref: mol2, SDF, SMILES, flexibase
3.03,3.21,-5.14,0,2,0, 249.52, 0
72187488
 
#60

Molport: MolPort-020-180-080
AK Scientific: W5379
AKOS: AKOS015919881
Anward: ANW-49355
Ark Pharm Building Blocks: AK-30828...20 total

ref: mol2, SDF, SMILES, flexibase
2.41,5.16,-9.75,0,4,0, 242.687, 3
72187487
 
#61

Molport: MolPort-020-180-079
AK Scientific: W9335
AKOS: AKOS015919875
Anward: ANW-49356
Ark Pharm Building Blocks: AK-30773...22 total

ref: mol2, SDF, SMILES, flexibase
1.89,1.24,-7.7,0,3,0, 216.063, 0
8602956
 
#62

ChemMol: 30101539, 44007846, 44021662, 83600768, 1033388
eMolecules: 498129, 927170
Molport: MolPort-001-765-139, MolPort-000-875-437
Acros Organics: 11224
AKOS: AKOS002676346...138 total

ref: mol2, SDF, SMILES, flexibase
-0.91,-0.58,-12.59,5,5,0, 126.119, 0
ref: mol2, SDF, SMILES, flexibase
-0.91,-1.27,-23.91,5,5,0, 126.119, 0

Similar to: 25492122,
72187486
 
#63

Molport: MolPort-020-180-078
AK Scientific: W9672
AKOS: AKOS015919483
Anward: ANW-49369
Ark Pharm Building Blocks: AK-24805...24 total

ref: mol2, SDF, SMILES, flexibase
1.13,2.2,-5.08,2,3,0, 235.028, 0
lo: mol2, SDF, SMILES, flexibase
1.13,2.65,-25.52,3,3,1, 236.036, 0
72187485
 
#64

Molport: MolPort-020-180-075
AK Scientific: X8962
AKOS: AKOS015920089
Angene Building Blocks: AGN-PC-09RP5X
Anward: ANW-49378...23 total

ref: mol2, SDF, SMILES, flexibase
3.36,5.13,-3.44,2,3,0, 234.082, 3
32267378
 
#65

Molport: MolPort-020-180-071
AK Scientific: W6343
AKOS: AKOS015920081
Anward: ANW-49394
Ark Pharm Building Blocks: AK-64936...21 total

ref: mol2, SDF, SMILES, flexibase
3.72,7.47,-13.25,0,3,0, 296.376, 2

Similar to: 108679,
72187484
 
#66

Molport: MolPort-020-180-064
Ark Pharm Building Blocks: AK-46733
BePharm Building Blocks: B40880
Molport BB: MolPort-020-180-064
ref: mol2, SDF, SMILES, flexibase
3.40,9.27,-3.25,0,0,0, 184.282, 0
72187483
 
#67

Molport: MolPort-020-180-064
Ark Pharm Building Blocks: AK-46733
BePharm Building Blocks: B40880
Molport BB: MolPort-020-180-064
ref: mol2, SDF, SMILES, flexibase
3.40,9.36,-3.08,0,0,0, 184.282, 0
18206667
 
#68

ChemMol: 1201466, 96700366
eMolecules: 31410033, 491060
Molport: MolPort-023-292-954, MolPort-001-761-231, MolPort-000-844-008
AKOS: AKOS000307934, AKOS015922366
Alfa-Aesar: L06845...79 total

ref: mol2, SDF, SMILES, flexibase
-0.33,4.62,-30.49,0,6,-1, 113.056, 1
mid: mol2, SDF, SMILES, flexibase
-0.33,4.8,-5.21,1,6,0, 114.064, 1
mid: mol2, SDF, SMILES, flexibase
-0.33,4.8,-12.25,1,6,0, 114.064, 1
lo: mol2, SDF, SMILES, flexibase
-0.33,4.66,-30.37,0,6,-1, 113.056, 1
4658577
 
#69

ChemMol: 44005037
eMolecules: 474398
Molport: MolPort-000-882-947
Scientific Exchange (make on demand): T-092566
Acros Organics: 10235...96 total

ref: mol2, SDF, SMILES, flexibase
-1.99,-1.7,-9.31,3,3,0, 74.083, 0
9144851
 
#70

ChemMol: 96700309, 44022269, 44012322
eMolecules: 1009036
AK Scientific: U001
AKOS: AKOS002676263, AKOS000265057, AKOS015995816
Aldrich CPR: CDS003714|ALDRICH...88 total

ref: mol2, SDF, SMILES, flexibase
-1.30,-1.76,-11.94,5,5,0, 126.119, 0

Similar to: 25492098,
35569407
 
#71

ChemMol: 44031692
eMolecules: 17088916
AK Scientific: W7526
Alinda Building Blocks: ALBB-014008
Amadis Chemical: A847584...37 total

ref: mol2, SDF, SMILES, flexibase
-0.45,1,-37.3,3,5,1, 142.138, 2
mid: mol2, SDF, SMILES, flexibase
0.00,0.35,-6.15,3,5,0, 141.13, 2
mid: mol2, SDF, SMILES, flexibase
0.00,0.35,-8.53,3,5,0, 141.13, 2
hi: mol2, SDF, SMILES, flexibase
-0.45,0.86,-11.58,2,5,0, 141.13, 2
72187482
 
#72

Molport: MolPort-020-180-057
AK Scientific: W6785, 0160AC
AKOS: AKOS015919986
Anward: ANW-64204
Apexmol Building Blocks: AM804009...18 total

ref: mol2, SDF, SMILES, flexibase
0.30,7.16,-57.37,0,5,-1, 242.295, 3
72187481
 
#73

Molport: MolPort-020-180-057
AK Scientific: W6785, 0160AC
AKOS: AKOS015919986
Anward: ANW-64204
Apexmol Building Blocks: AM804009...18 total

ref: mol2, SDF, SMILES, flexibase
0.30,7.04,-61.14,0,5,-1, 242.295, 3
72187480
 
#74

Molport: MolPort-020-180-057
AK Scientific: W6785, 0160AC
AKOS: AKOS015919986
Anward: ANW-64204
Apexmol Building Blocks: AM804009...18 total

ref: mol2, SDF, SMILES, flexibase
0.30,7.01,-60.92,0,5,-1, 242.295, 3
72187479
 
#75

Molport: MolPort-020-180-057
AK Scientific: 0160AC, W6785
AKOS: AKOS015919986
Anward: ANW-64204
Apexmol Building Blocks: AM805609...19 total

ref: mol2, SDF, SMILES, flexibase
0.30,7.12,-57.56,0,5,-1, 242.295, 3
2563887
 
#76

ChemMol: 97300942
Molport: MolPort-020-180-055
AK Scientific: W7898
AKOS: AKOS015919872
Anward: ANW-49455...26 total

ref: mol2, SDF, SMILES, flexibase
3.91,8.68,-9.79,0,5,0, 396.281, 2
72187478
 
#77

AK Scientific: W7456
Angene Building Blocks: AGN-PC-0NIHX1
Anward: ANW-49518
Ark Pharm Building Blocks: AK-40854
BePharm Building Blocks: B166929...21 total

ref: mol2, SDF, SMILES, flexibase
1.94,5.98,-7.34,0,1,0, 153.184, 0
5544212
 
#78

ChemMol: 44014600
eMolecules: 36249597
Molport: MolPort-000-002-986
Acorn PharmaTech: ACN-S001992
AK Scientific: W6560...38 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.5,-5.98,1,3,0, 143.149, 0
ref: mol2, SDF, SMILES, flexibase
1.62,3.64,-5.68,1,3,0, 143.149, 0
hi: mol2, SDF, SMILES, flexibase
1.62,3.49,-32.24,0,3,-1, 142.141, 0

Similar to: 43220723,
72187477
 
#79

AK Scientific: X9491
AKOS: AKOS015920216
Angene Building Blocks: AGN-PC-0BL84X
Anward: ANW-70653
Ark Pharm Building Blocks: AK-74156...23 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.42,-4.99,0,2,0, 251.005, 1
72187476
 
#80

ChemMol: 96712949
Molport: MolPort-020-180-044
AKOS: AKOS015920305
Anward: ANW-49575
Ark Pharm Building Blocks: AK-49027...25 total

ref: mol2, SDF, SMILES, flexibase
0.98,4.53,-50.52,3,6,1, 273.353, 5
hi: mol2, SDF, SMILES, flexibase
0.98,4.26,-7.73,2,6,0, 272.345, 5
72187475
 
#81

ChemMol: 96712949
Molport: MolPort-020-180-044
AKOS: AKOS015920305
Anward: ANW-49575
Ark Pharm Building Blocks: AK-49027...24 total

ref: mol2, SDF, SMILES, flexibase
0.98,4.4,-44.58,3,6,1, 273.353, 5
hi: mol2, SDF, SMILES, flexibase
0.98,4.13,-7.85,2,6,0, 272.345, 5
72187474
 
#82

ChemMol: 96712949
Molport: MolPort-020-180-044
AKOS: AKOS015920305
Anward: ANW-49575
Ark Pharm Building Blocks: AK-49027...24 total

ref: mol2, SDF, SMILES, flexibase
0.98,4.4,-44.56,3,6,1, 273.353, 5
hi: mol2, SDF, SMILES, flexibase
0.98,4.08,-6.42,2,6,0, 272.345, 5
72187473
 
#83

ChemMol: 96712949
Molport: MolPort-020-180-044
AKOS: AKOS015920305
Anward: ANW-49575
Ark Pharm Building Blocks: AK-49027...26 total

ref: mol2, SDF, SMILES, flexibase
0.98,4.53,-50.49,3,6,1, 273.353, 5
hi: mol2, SDF, SMILES, flexibase
0.98,4.3,-6.1,2,6,0, 272.345, 5
72187472
 
#84

Molport: MolPort-020-180-043
AK Scientific: W3187
AKOS: AKOS015920064
Angene Building Blocks: AGN-PC-0306YN
Anward: ANW-49576...25 total

ref: mol2, SDF, SMILES, flexibase
3.08,6.86,-4.41,0,2,0, 263.518, 3
21981888
 
#85

Anward: ANW-49577
Ark Pharm Building Blocks: AK-47612
BePharm Building Blocks: B71578
Capot Chemical: 5771
Fluorochem: 078980...9 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.97,-17.33,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,0.72,-7.53,1,2,0, 208.442, 0
mid: mol2, SDF, SMILES, flexibase
2.40,1.51,-32.02,0,2,-1, 207.434, 0
72187471
 
#86

Molport: MolPort-020-180-041
AKOS: AKOS015920072
Ark Pharm Building Blocks: AK-47436
BePharm Building Blocks: B167945
Molport BB: MolPort-020-180-041...7 total

ref: mol2, SDF, SMILES, flexibase
0.29,6.27,-21.1,2,6,0, 372.417, 8
ref: mol2, SDF, SMILES, flexibase
0.29,6.97,-20.01,2,6,0, 372.417, 8
hi: mol2, SDF, SMILES, flexibase
1.04,5.2,-56.28,2,6,-1, 371.409, 7
hi: mol2, SDF, SMILES, flexibase
1.04,5.9,-54.36,2,6,-1, 371.409, 7
72187470
 
#87

Molport: MolPort-020-180-041
Ark Pharm Building Blocks: AK-47436
BePharm Building Blocks: B167945
Molport BB: MolPort-020-180-041
Bide Pharmatech BB (Depleted): BD167945...6 total

ref: mol2, SDF, SMILES, flexibase
0.29,6.27,-21.09,2,6,0, 372.417, 8
ref: mol2, SDF, SMILES, flexibase
0.29,6.97,-19.97,2,6,0, 372.417, 8
hi: mol2, SDF, SMILES, flexibase
1.04,5.9,-54.31,2,6,-1, 371.409, 7
hi: mol2, SDF, SMILES, flexibase
1.04,5.2,-56.34,2,6,-1, 371.409, 7
hi: mol2, SDF, SMILES, flexibase
1.04,5.74,-55.59,2,6,-1, 371.409, 7
19169386
 
#88

Molport: MolPort-001-786-926
Scientific Exchange (make on demand): F-305051
Acorn PharmaTech: ACN-S003801
Apexmol Building Blocks: AM20090002
Ark Pharm Building Blocks: AK-46728...27 total

ref: mol2, SDF, SMILES, flexibase
-0.68,0.15,-33.78,4,2,1, 75.135, 1
hi: mol2, SDF, SMILES, flexibase
-0.68,-0.3,-2.41,3,2,0, 74.127, 1
hi: mol2, SDF, SMILES, flexibase
-0.68,-0.53,-39.72,4,2,1, 75.135, 1
21299554
 
#89

Molport: MolPort-016-578-992
Ark Pharm Building Blocks: AK-40686
BePharm Building Blocks: B163965
Fluorochem: 067003
Key Organics Building Blocks: NE-0215...13 total

ref: mol2, SDF, SMILES, flexibase
1.57,2.8,-19.77,3,9,0, 361.354, 7
mid: mol2, SDF, SMILES, flexibase
1.57,3.48,-11.41,3,9,0, 361.354, 7
mid: mol2, SDF, SMILES, flexibase
2.03,2.47,-39.42,2,9,-1, 360.346, 7
hi: mol2, SDF, SMILES, flexibase
2.03,3.35,-120.45,1,9,-2, 359.338, 7
14984778
 
#90

AK Scientific: W9113
AKOS: AKOS015902917
Angene Building Blocks: AGN-PC-04Q5P9
Anward: ANW-49596
Apexmol Building Blocks: AM20041323...30 total

ref: mol2, SDF, SMILES, flexibase
1.91,4.28,-42.65,1,4,-1, 240.036, 1
ref: mol2, SDF, SMILES, flexibase
1.91,4.17,-43.46,1,4,-1, 240.036, 1
72187469
 
#91

Molport: MolPort-020-180-039
AK Scientific: W9570
Angene Building Blocks: AGN-PC-0CU0LF
Anward: ANW-49599
Ark Pharm Building Blocks: AK-39924...17 total

ref: mol2, SDF, SMILES, flexibase
2.53,6.33,-53.76,0,3,-1, 251.059, 1
72187468
 
#92

AKOS: AKOS015919930
BePharm Building Blocks: B19402
Ark Pharm BB (Depleted): AK-34128
Oakwood Chemical (Depleted): 077845
PubChem: 56965729...5 total

ref: mol2, SDF, SMILES, flexibase
1.15,7.78,-47.01,2,5,-1, 254.269, 4
72187467
 
#93

Molport: MolPort-020-180-031
AK Scientific: X9389
AKOS: AKOS015919871
Angene Building Blocks: AGN-PC-0BL83Q
Anward: ANW-49650...27 total

ref: mol2, SDF, SMILES, flexibase
0.80,-0.05,-11.74,2,4,0, 202.011, 1
72187466
 
#94

Molport: MolPort-020-180-030
AK Scientific: X9135
Anward: ANW-49651
Ark Pharm Building Blocks: AK-30691
BePharm Building Blocks: B165467...22 total

ref: mol2, SDF, SMILES, flexibase
0.66,5.25,-6.06,0,4,0, 154.56, 0
3851823
 
#95

ChemMol: 30110545, 44013214, 1031105, 97800877
eMolecules: 521147
Scientific Exchange (make on demand): F-405503
ACB Blocks: MIX-0748
Acorn PharmaTech: ACN-P000912...108 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.13,-8.28,1,4,0, 154.169, 3
ref: mol2, SDF, SMILES, flexibase
0.99,3.13,-5.36,1,4,0, 154.169, 3

Similar to: 5919814, 33845724, 39134095,
16697557
 
#96

ChemMol: 30117336, 44015139, 97805708
AK Scientific: X7288
Aldrich CPR: SYX00201|ALDRICH
Alfa-Aesar: H66806
Angene Building Blocks: AGN-PC-0LQ1CU...52 total

ref: mol2, SDF, SMILES, flexibase
1.16,3.39,-8.03,3,4,0, 168.587, 0
ref: mol2, SDF, SMILES, flexibase
0.87,3.15,-12.3,2,4,0, 168.587, 0

Similar to: 34541298, 38219569,
33358729
 
#97

AK Scientific: W7290
Anward: ANW-49702
Apexmol Building Blocks: AM20080639
APIChem: AC-22652
Ark Pharm Building Blocks: AK-24861...16 total

ref: mol2, SDF, SMILES, flexibase
2.26,3.49,-36.4,0,4,-1, 172.547, 1
mid: mol2, SDF, SMILES, flexibase
2.26,2.7,-14.44,1,4,0, 173.555, 1
72187465
 
#98

Molport: MolPort-020-180-028
AK Scientific: W8003
Angene Building Blocks: AGN-PC-015BI1
Anward: ANW-49707
Ark Pharm Building Blocks: AK-24685...23 total

ref: mol2, SDF, SMILES, flexibase
1.35,3.4,-11.11,2,4,0, 175.191, 1
34408943
 
#99

Molport: MolPort-020-180-023
AK Scientific: X3118
AKOS: AKOS015920000
Angene Building Blocks: AGN-PC-004LII
Anward: ANW-49734...27 total

ref: mol2, SDF, SMILES, flexibase
2.49,4.7,-6.27,0,2,0, 212.046, 1
72187464
 
#100

Molport: MolPort-020-180-022
AK Scientific: X8953
AKOS: AKOS015920113
Angene Building Blocks: AGN-PC-03O1VP
Anward: ANW-49737...20 total

ref: mol2, SDF, SMILES, flexibase
0.93,1.24,-5.47,0,4,0, 169.571, 1

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 = 449 ) limit 0,100

Smiles were