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2036915
 
#1

ChemMol: 96705423
AK Scientific: Z3082
American Custom Chemicals Corp.: API0001452
BioSynth: A-7170
Bosche Scientific: A5616...114 total

ref: mol2, SDF, SMILES, flexibase
-2.21,4.48,-122.21,6,13,-2, 438.404, 9
lo: mol2, SDF, SMILES, flexibase
-2.21,4.93,-127.62,7,13,-1, 439.412, 9

Similar to: 31518689,
538337
 
#2

ChemMol: 44029205, 97900033
Active BioPharma: 76
Chembo Pharma: KB-80556
Molport BB: MolPort-005-933-379
Prestwick Chemical: Prestw-1341...57 total

ref: mol2, SDF, SMILES, flexibase
3.84,13.19,-49.8,2,5,1, 441.958, 5

Similar to: 13452509, 60256267, 60256272, 60256295, ... 4 in total.
2001740
 
#3

BioSynth: W-110775
Tetrahedron Building Blocks: TS29480
Toronto Research Chemicals: A634280
AKOS BB (make-on-demand): AKOS015907621
BindingDB.org: 50292474...40 total

ref: mol2, SDF, SMILES, flexibase
4.70,13.2,-69.16,2,3,0, 337.463, 8
lo: mol2, SDF, SMILES, flexibase
4.70,11.23,-43.27,3,3,1, 338.471, 8

Similar to: 38207328,
3943562
 
#4

ChEMBL DrugStore: CHEMBL1201352, CHEMBL1200549
ChEMBL19: CHEMBL1201352
DrugBank-withdrawn: DB04834
IBM Patent Data: 136267655
KEGG via PubChem: D05703...12 total

ref: mol2, SDF, SMILES, flexibase
3.36,7.13,-80.23,1,6,2, 598.913, 9
8099545
 
#5

American Custom Chemicals Corp.: API0000889
Anward: ANW-65608
Ark Pharm Building Blocks: AK-90080
BePharm Building Blocks: B49408
Chembo Pharma: KB-212101...59 total

ref: mol2, SDF, SMILES, flexibase
3.37,10.2,-42.99,1,2,1, 318.238, 4
hi: mol2, SDF, SMILES, flexibase
3.37,7.54,-4.17,0,2,0, 317.23, 4

Similar to: 33985348, 7996519,
7996519
 
#6

Anward: ANW-65608
Element Store BB: b2star-61129-30-4
Prestwick Chemical: Prestw-92
Tractus: TRA0073165
AKOS BB (make-on-demand): AKOS015891576...30 total

ref: mol2, SDF, SMILES, flexibase
3.37,10.2,-41.9,1,2,1, 318.238, 4
hi: mol2, SDF, SMILES, flexibase
3.37,7.55,-4.86,0,2,0, 317.23, 4

Similar to: 8099545, 33985348,
2166
 
#7

Enolase via KEGG (EFI): C11702_1
Molport: MolPort-000-883-331
AKOS: AKOS000280732
Aldrich CPR: PH006811|ALDRICH
Cayman Chemical: 10008517...44 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.51,-46.08,0,4,-1, 330.168, 5
3871798
 
#8

ChemMol: 44016999
eMolecules: 48768368, 736618
Scientific Exchange (make on demand): Z-028695, F-137625
AKOS: AKOS003382834
Alinda: IBS-L0033026...193 total

ref: mol2, SDF, SMILES, flexibase
-0.20,2.84,-25.7,7,5,1, 158.229, 4
ref: mol2, SDF, SMILES, flexibase
-0.20,2.71,-4.62,7,5,0, 158.229, 4
mid: mol2, SDF, SMILES, flexibase
0.06,3.93,-28.43,7,5,1, 158.229, 6
hi: mol2, SDF, SMILES, flexibase
0.06,4.04,-5.71,6,5,0, 157.221, 6
hi: mol2, SDF, SMILES, flexibase
0.06,3.11,-4.43,6,5,0, 157.221, 6
hi: mol2, SDF, SMILES, flexibase
0.06,3.94,-8.74,6,5,0, 157.221, 6
hi: mol2, SDF, SMILES, flexibase
0.06,3.97,-4.68,6,5,0, 157.221, 6
lo: mol2, SDF, SMILES, flexibase
-0.07,3.58,-31.63,7,5,1, 158.229, 5
lo: mol2, SDF, SMILES, flexibase
-0.07,3.65,-4.89,7,5,0, 158.229, 5
lo: mol2, SDF, SMILES, flexibase
-0.07,4.02,-4.66,7,5,0, 158.229, 5
lo: mol2, SDF, SMILES, flexibase
-0.07,3.95,-98.57,8,5,2, 159.237, 5
lo: mol2, SDF, SMILES, flexibase
0.06,3.7,-5.36,7,5,0, 158.229, 6
lo: mol2, SDF, SMILES, flexibase
-0.07,4.08,-27.37,7,5,1, 158.229, 5
57537
 
#9

ChemMol: 30106030
APIChem: AC-17496
Chembo Pharma: KB-227107
Element Store BB: b2star-64092-48-4
Labotest: LT00772396...80 total

ref: mol2, SDF, SMILES, flexibase
3.33,9.6,-44.32,0,4,-1, 290.726, 4

Similar to: 3643887, 3643888, 5855985, 5857365, 32264981, ... 8 in total.
2146
 
#10

Chembo Pharma: KB-219366
Alfa Chemistry (Depleted): ACM2784556
BOC Sciences BB (Depleted): 2784-55-6
ChEMBL DrugStore: CHEMBL2105458
ChEMBL19: CHEMBL2105458...21 total

ref: mol2, SDF, SMILES, flexibase
3.76,10.55,-39.34,1,2,1, 287.452, 4
1532186
 
#11

BioSynth: Q-201618
Prestwick Chemical: 560, Prestw-560
Tetrahedron Building Blocks: TS63606, TS69796
Toronto Research Chemicals: P712800
BindingDB.org: 50017723...50 total

ref: mol2, SDF, SMILES, flexibase
5.69,14.22,-40.29,2,1,1, 330.495, 8

Similar to: 31555629, 33824320, 33824321,
1532185
 
#12

BioSynth: Q-201618
Prestwick Chemical: 560, Prestw-560
Tetrahedron Building Blocks: TS63606, TS69796
Toronto Research Chemicals: P712800
BindingDB.org: 50017723...60 total

ref: mol2, SDF, SMILES, flexibase
5.69,14.22,-39.91,2,1,1, 330.495, 8

Similar to: 1532186, 31555629, 33824320, 33824321, ... 4 in total.
3874580
 
#13

eMolecules: 31796417
Molport: MolPort-006-111-364
Aldrich CPR: S561185|ALDRICH
Element Store BB: b2star-52432-72-1
IBScreen Bioactives: Bio-0361...47 total

ref: mol2, SDF, SMILES, flexibase
4.18,11.68,-35.93,1,4,1, 336.496, 13
2510048
 
#14

BOC Sciences BB: 135-23-9
Element Store BB: b2star-33032-12-1
MicroSource Pharmakon: 01503229
MicroSource US Drugs: 01503229
Prestwick Chemical: 342...65 total

ref: mol2, SDF, SMILES, flexibase
2.47,10.02,-90.68,2,3,2, 263.41, 6
mid: mol2, SDF, SMILES, flexibase
2.47,9.64,-41.53,1,3,1, 262.402, 6
hi: mol2, SDF, SMILES, flexibase
2.47,7.16,-4.25,0,3,0, 261.394, 6

Similar to: 3653143, 3653150, 31501513, 31518480, ... 5 in total.
1782155
 
#15

eMolecules: 510116, 1986576
Molport: MolPort-002-964-506
AK Scientific: I505
AKOS: AKOS005410703
Aronis: e00612...98 total

ref: mol2, SDF, SMILES, flexibase
-1.50,2.74,-72.05,0,7,-1, 310.355, 4
mid: mol2, SDF, SMILES, flexibase
-1.50,3.49,-38.8,1,7,0, 311.363, 4
4215131
 
#16

ChEMBL DrugStore: CHEMBL2110636
ChEMBL19: CHEMBL2104558, CHEMBL2110636
DrugBank-withdrawn: DB04814
Leadscope via PubChem: LS-54043
ref: mol2, SDF, SMILES, flexibase
5.24,-1.39,-50.82,1,4,-1, 638.001, 6
1872015
 
#17

ChemMol: 44007768
Boerchem Pharmatech BB: BC224227
Lab Seeker Building Blocks: SC-20578
Toronto Research Chemicals: B165300
StruChem BB make-on-demand: SC-20578...39 total

ref: mol2, SDF, SMILES, flexibase
4.53,-0.61,-46.47,0,4,-1, 300.721, 3

Similar to: 33755338, 33755339, 33824810, 33824811, ... 5 in total.
70
 
#18

ChemMol: 44007768
Boerchem Pharmatech BB: BC224227
Lab Seeker Building Blocks: SC-20578
Toronto Research Chemicals: B165300
StruChem BB make-on-demand: SC-20578...36 total

ref: mol2, SDF, SMILES, flexibase
4.53,-0.61,-46.43,0,4,-1, 300.721, 3

Similar to: 1872015, 33420303,
4617749
 
#19

ChemMol: 30101919, 97900413, 44002295
Molport: MolPort-023-220-288, MolPort-003-849-391
Active BioPharma: 823
AK Scientific: H767
AKOS: AKOS015897356...118 total

ref: mol2, SDF, SMILES, flexibase
2.81,4.93,-37.19,0,7,-1, 307.307, 5
mid: mol2, SDF, SMILES, flexibase
2.81,4.82,-11.73,1,7,0, 308.315, 5

Similar to: 34007650, 34556222, 36461859,
5554746
 
#20

AK Scientific: 6824AC
Amadis Chemical: A845718
Anward: ANW-73165
Ark Pharm Building Blocks: AK106106
BePharm Building Blocks: B95424...110 total

ref: mol2, SDF, SMILES, flexibase
3.67,6.35,-49.07,1,5,-1, 323.372, 5
ref: mol2, SDF, SMILES, flexibase
3.67,6.33,-48.83,1,5,-1, 323.372, 5

Similar to: 32165188, 36464533, 44123539, 44123545, 44123555, ... 5 in total.
3780343
 
#21

ChemMol: 44027350
Enolase via KEGG (EFI): C01621_1
Amadis Chemical: A847205
Ark Pharm Building Blocks: AK129823
Bosche Scientific: T4638...39 total

ref: mol2, SDF, SMILES, flexibase
2.71,10.02,-52.28,0,4,-1, 356.345, 6

Similar to: 39649410,
122765
 
#22

Scientific Exchange (make on demand): F-137820
Ark Pharm Building Blocks: AK116489, AK164048
BePharm Building Blocks: B120988
BioBlocks: A3124/0132216
BioBlocks BB: ZERO/006003...63 total

ref: mol2, SDF, SMILES, flexibase
3.02,4.67,-45.57,3,1,1, 184.69, 2

Similar to: 6092931, 6092946, 34383742, 34383743, 37024145, ... 5 in total.
5065160
 
#23

Toronto Research Chemicals: F247270
Innovapharm BB Make on Demand: BBV-00063749
ChEMBL DrugStore: CHEMBL7010
ChEMBL12: CHEMBL7010
ChEMBL19: CHEMBL2106270...25 total

ref: mol2, SDF, SMILES, flexibase
3.80,0.2,-37.63,2,1,1, 216.348, 3

Similar to: 5065159,
5065159
 
#24

Toronto Research Chemicals: F247270
Innovapharm BB Make on Demand: BBV-00063749
ChEMBL DrugStore: CHEMBL7010
ChEMBL12: CHEMBL7010
ChEMBL19: CHEMBL2106270...25 total

ref: mol2, SDF, SMILES, flexibase
3.80,1.23,-30.24,2,1,1, 216.348, 3

Similar to: 5065160,
2004103
 
#25

Ark Pharm Building Blocks: AK129817, AK144522
BOC Sciences BB: 108319-06-8
Chembo Pharma: KB-80837
Fluorochem: 362046
Lab Seeker Building Blocks: SC-43691...43 total

ref: mol2, SDF, SMILES, flexibase
0.37,11.86,-94.26,2,6,0, 417.387, 3
hi: mol2, SDF, SMILES, flexibase
0.37,10.62,-61.88,1,6,-1, 416.379, 3
lo: mol2, SDF, SMILES, flexibase
-2.38,9.85,-78.71,3,6,1, 418.395, 2

Similar to: 6525184, 6525186, 6525189, 9133461, 34361782, ... 7 in total.
9133461
 
#26

Ark Pharm Building Blocks: AK144522, AK129817
BOC Sciences BB: 108319-06-8
Chembo Pharma: KB-80837
Fluorochem: 362046
Lab Seeker Building Blocks: SC-43691...45 total

ref: mol2, SDF, SMILES, flexibase
0.37,0.76,-96.96,2,6,0, 417.387, 3

Similar to: 32016647, 32016648, 32016649, 34361782, 34382542, ... 12 in total.
3782486
 
#27

ChemMol: 97900807
Active BioPharma: 1666
American Custom Chemicals Corp.: API0009196
Ark Pharm Building Blocks: AK136091
BOC Sciences BB: 116644-53-2...71 total

ref: mol2, SDF, SMILES, flexibase
5.56,14.86,-54.6,2,6,1, 496.647, 12

Similar to: 38431755, 38749142, 607970,
4213101
 
#28

Ark Pharm Building Blocks: AK129767
Chembo Pharma: KB-242594, KB-295021
Sigma Aldrich (Building Blocks): E9156|SIGMA
Tetrahedron Building Blocks: TS66030
AK Scientific (Depleted): 69891...45 total

ref: mol2, SDF, SMILES, flexibase
4.46,11.11,-48.47,2,4,1, 353.486, 6

Similar to: 6095295, 6095297, 39307980, 39307982, 39307984, ... 8 in total.
607849
 
#29

Ark Pharm Building Blocks: AK129767
Chembo Pharma: KB-242594, KB-295021
Sigma Aldrich (Building Blocks): E9156|SIGMA
Tetrahedron Building Blocks: TS66030
AK Scientific (Depleted): 69891...44 total

ref: mol2, SDF, SMILES, flexibase
4.46,1.53,-49.51,2,4,1, 353.486, 6

Similar to: 4213101, 6095295, 6095297, 39307980, 39307982, ... 8 in total.
3786466
 
#30

ChemMol: 2101371, 30111739
American Custom Chemicals Corp.: API0003797, API0007674
APIChem: AC-6874
Ark Pharm Building Blocks: AK129802
BioSynth: Q-201548...105 total

ref: mol2, SDF, SMILES, flexibase
3.97,11.27,-39.66,2,2,1, 315.506, 4
hi: mol2, SDF, SMILES, flexibase
3.97,9.08,-5.67,1,2,0, 314.498, 4

Similar to: 8227321, 8227322, 8227324, 8227325, 8830624, ... 21 in total.
538065
 
#31

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,
21989209
 
#32

ChemMol: 30106555, 2101397, 44005409
APIChem: AC-927
BioSynth: Q-201885
BOC Sciences BB: 13647-35-3
Boerchem Pharmatech BB: BC213678...55 total

ref: mol2, SDF, SMILES, flexibase
2.56,4.2,-11.31,1,4,0, 329.44, 0
4759
 
#33

ChemMol: 97900788, 30109968, 44009285, 30104895, 44004310
Molport: MolPort-005-940-438, MolPort-003-666-609
Active BioPharma: 1634
AKOS: AKOS004119970, AKOS015855356
Anward: ANW-68883...156 total

ref: mol2, SDF, SMILES, flexibase
5.00,10.53,-34.64,1,1,1, 280.863, 5

Similar to: 531272,
531272
 
#34

ChemMol: 30104895, 97900788, 30109968, 44009285, 44004310
Molport: MolPort-005-940-438, MolPort-003-666-609
Active BioPharma: 1634
AKOS: AKOS004119970, AKOS015855356
Anward: ANW-68883...161 total

ref: mol2, SDF, SMILES, flexibase
5.00,10.74,-33.26,1,1,1, 280.863, 5

Similar to: 39391065, 39391066, 39391067, 39391068, 39391077, ... 22 in total.
12503245
 
#35

American Custom Chemicals Corp.: API0004333
DrugBank-withdrawn: DB01079
PubChem: 6439228, 5487301, 51508722, 49800061, 25323011
SureChEMBL: SCHEMBL16465, SCHEMBL677385
ref: mol2, SDF, SMILES, flexibase
2.33,5.57,-58.62,6,6,1, 302.402, 9
mid: mol2, SDF, SMILES, flexibase
2.33,5.67,-20.15,5,6,0, 301.394, 9
lo: mol2, SDF, SMILES, flexibase
2.33,6.02,-105.65,7,6,2, 303.41, 9
lo: mol2, SDF, SMILES, flexibase
2.33,6.07,-100.31,7,6,2, 303.41, 9

Similar to: 38602053,
13537284
 
#36

ChemMol: 97900100, 30103937, 44003631
Active BioPharma: 180
AK Scientific: Q640
APIChem: AC-022
BioSynth: Q-200613...95 total

ref: mol2, SDF, SMILES, flexibase
1.25,8.94,-44.5,2,5,1, 295.366, 2
ref: mol2, SDF, SMILES, flexibase
1.25,8.94,-43.84,2,5,1, 295.366, 2
mid: mol2, SDF, SMILES, flexibase
1.25,8.47,-18.57,1,5,0, 294.358, 2
mid: mol2, SDF, SMILES, flexibase
1.25,8.56,-26.6,1,5,0, 294.358, 2

Similar to: 34610965, 34610969, 34610974, 34610975, 34610977, ... 13 in total.
14768667
 
#37

ChemMol: 30110989
eMolecules: 902298
Molport: MolPort-001-792-517
AK Scientific: M819
AKOS: AKOS005567415...122 total

ref: mol2, SDF, SMILES, flexibase
0.43,5.93,-7.01,7,5,0, 206.273, 6
ref: mol2, SDF, SMILES, flexibase
0.17,4.94,-28.01,7,5,1, 206.273, 4
hi: mol2, SDF, SMILES, flexibase
0.43,5.35,-6.17,6,5,0, 205.265, 6
hi: mol2, SDF, SMILES, flexibase
0.43,6.29,-7.03,6,5,0, 205.265, 6
lo: mol2, SDF, SMILES, flexibase
0.30,6.08,-4.26,8,5,0, 207.281, 5
lo: mol2, SDF, SMILES, flexibase
0.30,5.8,-34.82,7,5,1, 206.273, 5
lo: mol2, SDF, SMILES, flexibase
0.30,6.26,-30.68,7,5,1, 206.273, 5
lo: mol2, SDF, SMILES, flexibase
0.43,6.17,-30.9,7,5,1, 206.273, 6
3830323
 
#38

Tetrahedron Building Blocks: TS82607
ChEBI: CHEBI:3133, CHEBI:59188
ChEMBL DrugStore: CHEMBL1201295, CHEMBL1200405
ChEMBL12: CHEMBL1200405
ChEMBL19: CHEMBL1200405...43 total

ref: mol2, SDF, SMILES, flexibase
6.26,2.45,-48.8,3,6,1, 462.566, 10

Similar to: 4213979, 4214489, 5760508, 5760567, 11681591, ... 19 in total.
896452
 
#39

Tetrahedron Building Blocks: TS82607
ChEBI: CHEBI:59189, CHEBI:3133
ChEMBL DrugStore: CHEMBL1200405, CHEMBL1201295
ChEMBL12: CHEMBL1200405
ChEMBL19: CHEMBL1200405...45 total

ref: mol2, SDF, SMILES, flexibase
6.26,2.37,-48.02,3,6,1, 462.566, 10

Similar to: 4213979, 4214489, 5760508, 5760567, 11681591, ... 19 in total.
2097
 
#40

ChemMol: 80101160, 30101819, 44002229
eMolecules: 736456
Scientific Exchange (make on demand): Z-007809
AK Scientific: O954
AKOS: AKOS000538590...83 total

ref: mol2, SDF, SMILES, flexibase
0.38,-1.72,-51.3,2,7,-1, 279.301, 4
mid: mol2, SDF, SMILES, flexibase
0.38,-1.22,-13.36,3,7,0, 280.309, 4
601274
 
#41

ChemMol: 97900485, 44006334
Active BioPharma: 1061
AK Scientific: K146
AKOS: AKOS005064371
BioSynth: W-104654...102 total

ref: mol2, SDF, SMILES, flexibase
5.71,17.29,-53.86,2,5,1, 459.589, 8
mid: mol2, SDF, SMILES, flexibase
5.71,17.71,-105.8,3,5,2, 460.597, 8

Similar to: 33799504, 34440350, 34440351, 38801823, 39332134, ... 5 in total.
3775140
 
#42

ChemMol: 44002540, 30102254
eMolecules: 31796143
AK Scientific: K442
American Custom Chemicals Corp.: API0006618
APIChem: AC-1912...110 total

ref: mol2, SDF, SMILES, flexibase
3.99,8.67,-54.72,4,7,1, 466.961, 9

Similar to: 4215367, 34384793, 34384794, 34384795, 34384796, ... 25 in total.
1612
 
#43

ChemMol: 30105067
Scientific Exchange (make on demand): F-441758
APIChem: AC-16024
Bosche Scientific: F6470
IBScreen: STOCK5S-44738...179 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.69,-38.85,2,1,1, 232.269, 5

Similar to: 294,
294
 
#44

ChemMol: 30105067
Scientific Exchange (make on demand): F-441758
American Custom Chemicals Corp.: API0001389, API0009056
APIChem: AC-16024
Bosche Scientific: F6470...191 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.61,-39.24,2,1,1, 232.269, 5

Similar to: 1612,
11330186
 
#45

ChemMol: 44006962
American Custom Chemicals Corp.: API0000459
BOC Sciences BB: 143201-11-0
Boerchem Pharmatech BB: BC220457
FineTech: FT-0623559...85 total

ref: mol2, SDF, SMILES, flexibase
4.45,9.79,-51.62,2,6,-1, 458.55, 11
lo: mol2, SDF, SMILES, flexibase
4.45,10.19,-65.02,3,6,0, 459.558, 11

Similar to: 11592796, 11592797, 34336596, 34336598, 34336601, ... 16 in total.
2021799
 
#46

ChemMol: 30105028, 97900852
Active BioPharma: 1782
American Custom Chemicals Corp.: API0009206
APIChem: AC-15967
Ark Pharm Building Blocks: AK129805...72 total

ref: mol2, SDF, SMILES, flexibase
2.71,6.61,-41.71,2,5,1, 372.283, 6

Similar to: 5851655, 5851780, 5851784, 5923181, ... 5 in total.
1930
 
#47

TCM Database @ Taiwan: tcm03_001258, 43255
American Custom Chemicals Corp.: API0014385, SHG0000058
Chembo Pharma: KB-50409
FineTech: FT-0603593
Labotest: LTBB000573...126 total

ref: mol2, SDF, SMILES, flexibase
0.33,0.86,-42.61,4,2,1, 152.217, 2
hi: mol2, SDF, SMILES, flexibase
0.33,0.53,-3.25,3,2,0, 151.209, 2

Similar to: 157545, 157548, 2009381, 2009382, 2009383, ... 8 in total.
967787
 
#48

ChemMol: 30105098, 44027276
APIChem: AC-16082
Ark Pharm Building Blocks: AK129780, AK-60560
Sequoia Research Products: 119914-60-2
Tetrahedron Building Blocks: TS80899...55 total

ref: mol2, SDF, SMILES, flexibase
2.17,10.27,-99.09,2,6,0, 359.401, 3
mid: mol2, SDF, SMILES, flexibase
-1.42,8.46,-83.99,3,6,1, 360.409, 2

Similar to: 1536333, 5929691, 5930086, 34228645, 34335884, ... 23 in total.
587541
 
#49

ChemMol: 30105098, 44027276
APIChem: AC-16082
Ark Pharm Building Blocks: AK129780, AK-60560
Sequoia Research Products: 119914-60-2
Tetrahedron Building Blocks: TS66353...54 total

ref: mol2, SDF, SMILES, flexibase
2.17,10.27,-104.27,2,6,0, 359.401, 3
mid: mol2, SDF, SMILES, flexibase
-1.42,8.43,-82.75,3,6,1, 360.409, 2

Similar to: 967787, 1536333, 5929691, 5930086, 34228645, ... 26 in total.
3812892
 
#50

ChemMol: 30104910
eMolecules: 595223
APIChem: AC-15791
Chembo Pharma: KB-270766
Element Store BB: b2star-50679-08-8...124 total

ref: mol2, SDF, SMILES, flexibase
6.17,14.49,-42.25,3,3,1, 472.693, 9

Similar to: 3929426, 34630718, 34630996, 34651611, 34651613, ... 12 in total.
8214629
 
#51

BioSynth: Q-201490
MedChem Express: HY-B1027
MicroSource Pharmakon: 01505292
MicroSource US Drugs: 01505292
BindingDB.org: 50442874...31 total

ref: mol2, SDF, SMILES, flexibase
4.12,11.13,-18.22,1,10,0, 616.833, 35

Similar to: 14236032, 34371079, 38141475, 39298355, 39298356, ... 9 in total.
2568176
 
#52

ChemMol: 44022819
AKOS: AKOS000509786
Anward: ANW-36199
Aromalake BB: LS40046
Bosche Scientific: M17648...69 total

ref: mol2, SDF, SMILES, flexibase
3.03,9.24,-10.71,0,3,0, 250.301, 1

Similar to: 32257418, 32265516, 34458035, 39124488, ... 4 in total.
901020
 
#53

Molport: MolPort-001-785-624
Acros Organics: 32554
Alfa-Aesar: 44804
Alinda: IBS-L0216361
Angene Building Blocks: AGN-PC-038BLD...431 total

ref: mol2, SDF, SMILES, flexibase
0.17,-1.84,-6.32,2,3,0, 89.094, 2
3831317
 
#54

ChemMol: 30103871
eMolecules: 478041
Molport: MolPort-001-011-548
Scientific Exchange (make on demand): POD_02/0233
Acros Organics: 14771...213 total

ref: mol2, SDF, SMILES, flexibase
3.84,5.89,-14.88,2,4,0, 318.328, 2

Similar to: 8613263, 34588119, 39291327, 39291329, ... 4 in total.
4217234
 
#55

Molport: MolPort-002-501-867
AKOS: AKOS003628613
Aldrich CPR: S675407|ALDRICH
Bosche Scientific: O7370
Chembo Pharma: KB-178759...30 total

ref: mol2, SDF, SMILES, flexibase
3.20,-3.39,-11.06,3,4,0, 317.344, 2

Similar to: 29545476, 29545479, 29550807, 29550810, 31708241, ... 8 in total.
19796035
 
#56

ChemMol: 44020629
AK Scientific: V1991
AKOS: AKOS015919487
American Custom Chemicals Corp.: CHM0078508
Anward: ANW-48297...97 total

ref: mol2, SDF, SMILES, flexibase
2.55,5.67,-3.9,2,2,0, 238.334, 1

Similar to: 31475499, 31475504, 32233028, 32233030, 34320138, ... 9 in total.
19796033
 
#57

ChemMol: 44020629
AK Scientific: V1991
AKOS: AKOS015919487
American Custom Chemicals Corp.: CHM0078508
Anward: ANW-48297...97 total

ref: mol2, SDF, SMILES, flexibase
2.55,5.67,-3.91,2,2,0, 238.334, 1

Similar to: 31475499, 31475504, 32233028, 32233030, 34320138, ... 9 in total.
1713761
 
#58

eMolecules: 492142
Molport: MolPort-001-783-584
Scientific Exchange (make on demand): F-182718
AKOS: AKOS003390166
Alinda: IBS-L0036103...54 total

ref: mol2, SDF, SMILES, flexibase
0.38,3.48,-12.83,3,6,0, 298.346, 7
1579
 
#59

Scientific Exchange (make on demand): POD_09/0466
Angene Building Blocks: AGN-PC-0JK6ND
Ark Pharm Building Blocks: AK158395, AK161712
Bide Pharmatech BB: BD134849
Fluorochem: 386952...72 total

ref: mol2, SDF, SMILES, flexibase
0.27,2.04,-8.95,2,4,0, 179.223, 3
3860369
 
#60

ChemMol: 80101169
eMolecules: 502495
Scientific Exchange (make on demand): POD_81/0100
TCM Database @ Taiwan: tcm03_001380, 28742
Acros Organics: 11483...94 total

ref: mol2, SDF, SMILES, flexibase
3.13,3.69,-11.62,2,4,0, 240.214, 0

Similar to: 6117388,
6409735
 
#61

ChemMol: 30111776, 96700213
eMolecules: 491690
Acros Organics: SB01341
AK Scientific: L813
AKOS: AKOS000120779...157 total

ref: mol2, SDF, SMILES, flexibase
3.62,3.69,-5.63,1,2,0, 305.502, 0
mid: mol2, SDF, SMILES, flexibase
3.62,4.45,-38.91,0,2,-1, 304.494, 0
608213
 
#62

eMolecules: 510833
Molport: MolPort-003-702-306
Scientific Exchange (make on demand): F-394713
AKOS: AKOS015856712
Aldrich CPR: CDS000488|ALDRICH...87 total

ref: mol2, SDF, SMILES, flexibase
5.89,5.07,-4.49,2,2,0, 356.057, 2
mid: mol2, SDF, SMILES, flexibase
5.89,5.82,-31.94,1,2,-1, 355.049, 2
hi: mol2, SDF, SMILES, flexibase
5.89,6.58,-94.35,0,2,-2, 354.041, 2

Similar to: 34031464, 34579259,
602
 
#63

ChemMol: 44016492
Scientific Exchange (make on demand): Z-077727
Acros Organics: 21659
AKOS: AKOS000370201
Alfa-Aesar: A11200...122 total

ref: mol2, SDF, SMILES, flexibase
1.59,3.6,-9.37,1,3,0, 179.219, 3

Similar to: 43465143,
57115
 
#64

ChemMol: 30101837
Scientific Exchange (make on demand): POD_02/0237
Acros Organics: 11574
AKOS: AKOS001590378
Alfa-Aesar: B21436...113 total

ref: mol2, SDF, SMILES, flexibase
1.43,6.51,-17.17,0,4,0, 231.299, 2
mid: mol2, SDF, SMILES, flexibase
1.43,7.19,-38.37,1,4,1, 232.307, 2

Similar to: 4212269, 33808014,
591
 
#65

ChemMol: 30106367
APIChem: AC-22513
BioSynth: W-107545
Sequoia Research Products: 101053-01-4
Sigma Aldrich (Building Blocks): P0048|SIGMA...62 total

ref: mol2, SDF, SMILES, flexibase
0.38,-1.66,-12.06,2,4,0, 176.175, 1

Similar to: 32218096, 32218097,
5279694
 
#66

ChemMol: 30106367
APIChem: AC-22513
BioSynth: W-107545
Sequoia Research Products: 101053-01-4
Sigma Aldrich (Building Blocks): P0048|SIGMA...55 total

ref: mol2, SDF, SMILES, flexibase
0.38,-1.64,-11.99,2,4,0, 176.175, 1
hi: mol2, SDF, SMILES, flexibase
0.70,-3.12,-39.66,1,4,-1, 175.167, 1

Similar to: 32218096, 32218097, 32250840, 32250844, ... 4 in total.
133
 
#67

ChemMol: 97900465
Active BioPharma: 1007
AK Scientific: V0146
Anward: ANW-42456
Ark Pharm Building Blocks: AK116027...63 total

ref: mol2, SDF, SMILES, flexibase
1.44,3.11,-13.33,0,4,0, 273.741, 1
3831107
 
#68

Bitter DB: 324
ChEMBL DrugStore: CHEMBL1200790
ChEMBL12: CHEMBL1200790
ChEMBL19: CHEMBL1200790
ChemDB: 3967495...25 total

ref: mol2, SDF, SMILES, flexibase
1.35,-0.39,-7.21,1,3,0, 183.251, 2

Similar to: 5819459, 5819460, 32152527, 32156661, 32156665, ... 9 in total.
3831106
 
#69

Bitter DB: 324
ChEMBL DrugStore: CHEMBL1200790
ChEMBL12: CHEMBL1200790
ChEMBL19: CHEMBL1200790
ChemDB: 3967495...55 total

ref: mol2, SDF, SMILES, flexibase
1.35,-0.42,-7.69,1,3,0, 183.251, 2

Similar to: 5819459, 5819460, 32152527, 32156661, 32156665, ... 9 in total.
1530947
 
#70

ChemMol: 30102213, 44002519, 97900477
Active BioPharma: 1038
American Custom Chemicals Corp.: API0000112
Angene Building Blocks: AGN-PC-07A27A
Anward: ANW-53225...148 total

ref: mol2, SDF, SMILES, flexibase
0.34,2.64,-15.5,1,6,0, 258.233, 1

Similar to: 1530948, 3980238, 3981213, 3981219, 5758423, ... 10 in total.
1530948
 
#71

ChemMol: 44002519, 97900477, 30102213
Active BioPharma: 1038
American Custom Chemicals Corp.: API0000090
Angene Building Blocks: AGN-PC-07A27A
Anward: ANW-53225...134 total

ref: mol2, SDF, SMILES, flexibase
0.34,2.46,-13.39,1,6,0, 258.233, 1

Similar to: 1607095, 3980238, 3981213, 3981214, 3981219, ... 19 in total.
3872538
 
#72

Element Store BB: b2star-54350-48-0
Vesino Industrial Co Ltd: VZ20178
ChemDB: 3966609
DrugBank-withdrawn: DB00926
PubChem: 3312...5 total

ref: mol2, SDF, SMILES, flexibase
6.56,5.17,-10.63,0,3,0, 354.49, 8

Similar to: 11592658, 12503219, 39372777,
11592658
 
#73

Element Store BB: b2star-54350-48-0
Vesino Industrial Co Ltd: VZ20178
ChemDB: 3966609
DrugBank-withdrawn: DB00926
PubChem: 3312...5 total

ref: mol2, SDF, SMILES, flexibase
6.56,5.04,-8.11,0,3,0, 354.49, 8

Similar to: 12503219, 26892371, 39372777,
12503219
 
#74

Element Store BB: b2star-54350-48-0
Vesino Industrial Co Ltd: VZ20178
ChemDB: 3966609
DrugBank-withdrawn: DB00926
PubChem: 57369480...6 total

ref: mol2, SDF, SMILES, flexibase
6.56,12.79,-8.14,0,3,0, 354.49, 8

Similar to: 26892371, 39372777, 3830820, 3872535, 3872538, ... 6 in total.
3872535
 
#75

Element Store BB: b2star-54350-48-0
Vesino Industrial Co Ltd: VZ20178
ChemDB: 3966609
DrugBank-withdrawn: DB00926
PubChem: 3312...5 total

ref: mol2, SDF, SMILES, flexibase
6.56,5.03,-6.85,0,3,0, 354.49, 8

Similar to: 11592658, 12503219, 34220904, 39372777, ... 4 in total.
2212
 
#76

Sequoia Research Products: 28911-01-5
Sigma Aldrich (Building Blocks): T9772|SIGMA
Tetrahedron Building Blocks: TS64377
Toronto Research Chemicals: T767381, T767380
BindingDB.org: 50001765...59 total

ref: mol2, SDF, SMILES, flexibase
2.92,9.32,-12.24,0,4,0, 343.217, 1
lo: mol2, SDF, SMILES, flexibase
2.92,10.24,-35.62,1,4,1, 344.225, 1
6694
 
#77

ChemMol: 30104785, 44004247
Molport: MolPort-000-883-874
AKOS: AKOS000280920
APIChem: AC-120
Boerchem Pharmatech BB: BC209355...103 total

ref: mol2, SDF, SMILES, flexibase
2.73,4.5,-14.34,2,5,0, 314.366, 3

Similar to: 35824094, 35876217,
7455
 
#78

ChemMol: 30102795
eMolecules: 877485
Molport: MolPort-000-883-878
AKOS: AKOS000280931
Anward: ANW-71936...132 total

ref: mol2, SDF, SMILES, flexibase
0.71,7.51,-17.87,0,4,0, 314.362, 3

Similar to: 35863014,
968276
 
#79

ChemMol: 44012442, 97900787
Active BioPharma: 1633
AKOS: AKOS000281116
Amadis Chemical: A845704
Boerchem Pharmatech BB: BC686826...90 total

ref: mol2, SDF, SMILES, flexibase
5.03,7.5,-12.36,2,6,0, 441.549, 5

Similar to: 3913925, 3960827, 34610403, 34610404, 34610405, ... 18 in total.
968277
 
#80

ChemMol: 44012442, 97900787
Active BioPharma: 1633
AKOS: AKOS000281116
Amadis Chemical: A845704
Boerchem Pharmatech BB: BC686826...85 total

ref: mol2, SDF, SMILES, flexibase
5.03,7.29,-12.45,2,6,0, 441.549, 5

Similar to: 3913925, 3960827, 34610403, 34610404, 34610405, ... 18 in total.
3831511
 
#81

ChemMol: 30104910
eMolecules: 595223
APIChem: AC-15791
Chembo Pharma: KB-270766
Element Store BB: b2star-50679-08-8...122 total

ref: mol2, SDF, SMILES, flexibase
6.17,14.46,-42.32,3,3,1, 472.693, 9

Similar to: 3929426, 6437979, 34630718, 34630996, 35880881, ... 12 in total.
35342789
 
#82

ChemMol: 30108863, 44005800
AKOS: AKOS015902328
APIChem: AC-791
BioSynth: Q-201841
BOC Sciences BB: 134308-13-7...58 total

ref: mol2, SDF, SMILES, flexibase
2.99,4.88,-9.69,2,6,0, 273.244, 3

Similar to: 39026028, 34448018,
12504524
 
#83

American Custom Chemicals Corp.: API0000885
BOC Sciences BB: 192939-46-1
Tetrahedron Building Blocks: TS82833
Toronto Research Chemicals: X745000
StruChem BB make-on-demand: SC-51121...36 total

ref: mol2, SDF, SMILES, flexibase
0.90,6.47,-28.4,5,10,0, 473.574, 11
ref: mol2, SDF, SMILES, flexibase
0.90,6.67,-28.18,5,10,0, 473.574, 11
mid: mol2, SDF, SMILES, flexibase
0.90,7.66,-56.97,6,10,1, 474.582, 11
mid: mol2, SDF, SMILES, flexibase
0.90,7.44,-56.78,6,10,1, 474.582, 11
lo: mol2, SDF, SMILES, flexibase
0.90,7.49,-91.44,7,10,2, 475.59, 11
lo: mol2, SDF, SMILES, flexibase
0.90,7.39,-92.89,7,10,2, 475.59, 11

Similar to: 38256731, 44029024, 3831825, 11616670, 11616671, ... 5 in total.
39569538
 
#84

American Custom Chemicals Corp.: API0007621
Sigma Aldrich (Building Blocks): L7007|SIGMA
Toronto Research Chemicals: L488010
BindingDB.org: 21342, 50118578, 86427, 50241702
ChEMBL12: CHEMBL269421...26 total

ref: mol2, SDF, SMILES, flexibase
2.33,9.56,-39.99,1,4,1, 324.448, 3
hi: mol2, SDF, SMILES, flexibase
2.33,7.36,-11.18,0,4,0, 323.44, 3
lo: mol2, SDF, SMILES, flexibase
2.33,10.01,-90.93,2,4,2, 325.456, 3

Similar to: 39949163, 39569471,
896468
 
#85

Active BioPharma: 1007
AK Scientific: V0146
Anward: ANW-42456
Ark Pharm Building Blocks: AK116027
BePharm Building Blocks: B13062...56 total

968278
 
#86

ChemMol: 44012442, 97900787
Active BioPharma: 1633
AKOS: AKOS000281116
Amadis Chemical: A845704
Boerchem Pharmatech BB: BC686826...90 total

ref: mol2, SDF, SMILES, flexibase
5.03,7.5,-12.94,2,6,0, 441.549, 5

Similar to: 3913925, 3960827, 34610403, 34610404, 34610405, ... 18 in total.
968279
 
#87

ChemMol: 44012442, 97900787
Active BioPharma: 1633
AKOS: AKOS000281116
Amadis Chemical: A845704
Boerchem Pharmatech BB: BC686826...86 total

ref: mol2, SDF, SMILES, flexibase
5.03,7.3,-12.93,2,6,0, 441.549, 5

Similar to: 3913925, 3960827, 34356465, 34356466, 34394039, ... 22 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 = 457 ) limit 0,100

Smiles were