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96125962
 
#1

Chembo Pharma: KB-263525
StruChem BB make-on-demand: SC-54807
ref: mol2, SDF, SMILES, flexibase
2.71,4.3,-7.22,1,4,0, 255.071, 2
96125961
 
#2

Lab Seeker Building Blocks: SC-60055
StruChem BB make-on-demand: SC-60055
96125960
 
#3

Lab Seeker Building Blocks: SC-60055
StruChem BB make-on-demand: SC-60055
96125959
 
#4

Lab Seeker Building Blocks: SC-59959
StruChem BB make-on-demand: SC-59959
96125958
 
#5

Lab Seeker Building Blocks: SC-59970
StruChem BB make-on-demand: SC-59970
BOC Sciences BB (Depleted): 25198-48-5
96125957
 
#6

Lab Seeker Building Blocks: SC-41226
StruChem BB make-on-demand: SC-41226
ref: mol2, SDF, SMILES, flexibase
1.85,3.14,-37.22,4,3,1, 308.981, 2
32098886
 
#7

Lab Seeker Building Blocks: SC-41621
StruChem BB make-on-demand: SC-41621
SureChEMBL: SCHEMBL864799
ref: mol2, SDF, SMILES, flexibase
2.12,4.28,-52.05,2,6,-1, 298.29, 6

Similar to: 15442613,
96125956
 
#8

Lab Seeker Building Blocks: SC-41375
StruChem BB make-on-demand: SC-41375
SureChEMBL: SCHEMBL10429489
ref: mol2, SDF, SMILES, flexibase
-1.84,-2.35,-46.52,3,6,-1, 217.226, 3
lo: mol2, SDF, SMILES, flexibase
-1.84,-2.53,-60.66,4,6,0, 218.234, 3
88604383
 
#9

Molport: MolPort-002-466-178
Ark Pharm Building Blocks: AK130013
Chembo Pharma: KB-48525
Enamine Building Blocks: EN300-08795
Lab Seeker Building Blocks: SC-40662...20 total

96125955
 
#10

Lab Seeker Building Blocks: SC-60901
StruChem BB make-on-demand: SC-60901
ref: mol2, SDF, SMILES, flexibase
1.05,1,-6.73,2,6,0, 181.151, 3
lo: mol2, SDF, SMILES, flexibase
1.05,1.24,-55.61,3,6,1, 182.159, 3
96125954
 
#11

Lab Seeker Building Blocks: SC-60901
StruChem BB make-on-demand: SC-60901
ref: mol2, SDF, SMILES, flexibase
1.05,0.92,-8.48,2,6,0, 181.151, 3
lo: mol2, SDF, SMILES, flexibase
1.05,1.24,-55.61,3,6,1, 182.159, 3
96125953
 
#12

Lab Seeker Building Blocks: SC-41378
StruChem BB make-on-demand: SC-41378
UORSY BB Make-on-demand: BBV-45530708
ref: mol2, SDF, SMILES, flexibase
0.30,0.48,-44.54,5,3,1, 167.232, 3
96125952
 
#13

Lab Seeker Building Blocks: SC-41378
StruChem BB make-on-demand: SC-41378
UORSY BB Make-on-demand: BBV-45530708
ref: mol2, SDF, SMILES, flexibase
0.30,0.43,-41.82,5,3,1, 167.232, 3
96125951
 
#14

Lab Seeker Building Blocks: SC-40359
StruChem BB make-on-demand: SC-40359
SureChEMBL: SCHEMBL2935967
ref: mol2, SDF, SMILES, flexibase
3.44,6.35,-4.59,0,2,0, 259.143, 5
5104173
 
#15

Lab Seeker Building Blocks: SC-60936
StruChem BB make-on-demand: SC-60936
ref: mol2, SDF, SMILES, flexibase
-1.97,-7.02,-18.85,5,10,0, 287.228, 4
5104172
 
#16

Lab Seeker Building Blocks: SC-60936
StruChem BB make-on-demand: SC-60936
ref: mol2, SDF, SMILES, flexibase
-1.97,-7.26,-17.97,5,10,0, 287.228, 4
31776814
 
#17

AK Scientific: Y5328
Ark Pharm Building Blocks: AK-42569
Bide Pharmatech BB: BD209901
BioSynth: W-206425
CiVentiChem: CV-5268...19 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.25,-6.17,1,4,0, 255.071, 2
5329689
 
#18

American Custom Chemicals Corp.: NEW0107781
Lab Seeker Building Blocks: SC-60840
StruChem BB make-on-demand: SC-60840
ChEMBL19: CHEMBL2143756
ChemDB: 5189755...10 total

ref: mol2, SDF, SMILES, flexibase
2.59,2.54,-8.61,1,3,0, 172.187, 1

Similar to: 39051502,
96125950
 
#19

Lab Seeker Building Blocks: SC-60909
StruChem BB make-on-demand: SC-60909
ref: mol2, SDF, SMILES, flexibase
1.15,-0.51,-5.66,2,4,0, 166.18, 3
96125949
 
#20

Lab Seeker Building Blocks: SC-60909
StruChem BB make-on-demand: SC-60909
ref: mol2, SDF, SMILES, flexibase
1.15,-0.42,-4.81,2,4,0, 166.18, 3
mid: mol2, SDF, SMILES, flexibase
1.15,-0.18,-43.17,3,4,1, 167.188, 3
3925833
 
#21

Aldrich CPR: BOG00049|ALDRICH
Alfa-Aesar: H54311
Sigma Aldrich (Building Blocks): BOG00049|ALDRICH
StruChem BB make-on-demand: SC-60987
ChEMBL12: CHEMBL1214554...13 total

ref: mol2, SDF, SMILES, flexibase
-0.72,-3.55,-10.12,5,5,0, 168.152, 1
ref: mol2, SDF, SMILES, flexibase
-0.72,-3.74,-9.77,5,5,0, 168.152, 1
mid: mol2, SDF, SMILES, flexibase
-0.79,-1.56,-98.64,4,5,-1, 167.144, 1
lo: mol2, SDF, SMILES, flexibase
-0.72,-3.79,-37.37,6,5,1, 169.16, 1
lo: mol2, SDF, SMILES, flexibase
-0.72,-3.7,-35.54,6,5,1, 169.16, 1
34216955
 
#22

Lab Seeker Building Blocks: SC-61229
StruChem BB make-on-demand: SC-61229
SureChEMBL: SCHEMBL2246761
ref: mol2, SDF, SMILES, flexibase
2.68,8.62,-5.46,0,2,0, 204.269, 4
4334578
 
#23

eMolecules: 207081920
Apollo Scientific: PC8965
Chembo Pharma: KB-84098
FineTech: FT-0610859
Lab Seeker Building Blocks: SC-60946...16 total

ref: mol2, SDF, SMILES, flexibase
2.85,4.1,-8.15,3,3,0, 286.175, 4
ref: mol2, SDF, SMILES, flexibase
2.85,3.77,-7.25,3,3,0, 286.175, 4

Similar to: 33769681,
66147791
 
#24

Lab Seeker Building Blocks: SC-60644
StruChem BB make-on-demand: SC-60644
BindingDB.org: 46286
ChEMBL12: CHEMBL1705741
ChEMBL19: CHEMBL1705741...5 total

ref: mol2, SDF, SMILES, flexibase
3.84,6.76,-15.17,2,3,0, 359.344, 6
38392418
 
#25

Lab Seeker Building Blocks: SC-60346
StruChem BB make-on-demand: SC-60346
Alfa Chemistry (Depleted): ACM14885075
BOC Sciences BB (Depleted): 14885-07-5
ref: mol2, SDF, SMILES, flexibase
1.70,4.55,-27.94,5,3,1, 219.095, 2
ref: mol2, SDF, SMILES, flexibase
1.83,4.5,-28.69,5,3,1, 219.095, 3
35569500
 
#26

StruChem BB make-on-demand: SC-60242
Lab Seeker BB (Depleted): SC-60242
ref: mol2, SDF, SMILES, flexibase
2.29,4.03,-4.26,2,2,0, 211.062, 0
17836904
 
#27

Lab Seeker Building Blocks: SC-60646
StruChem BB make-on-demand: SC-60646
ChEMBL12: CHEMBL1437523
ChEMBL19: CHEMBL1437523, CHEMBL1983665
ChemDB: 6420291...8 total

ref: mol2, SDF, SMILES, flexibase
4.84,7.11,-13.35,2,7,0, 370.416, 4
mid: mol2, SDF, SMILES, flexibase
4.84,6.75,-52.99,1,7,-1, 369.408, 4
mid: mol2, SDF, SMILES, flexibase
4.84,7.88,-50.68,1,7,-1, 369.408, 4
34266935
 
#28

StruChem BB make-on-demand: SC-60649
Lab Seeker BB (Depleted): SC-60649
ref: mol2, SDF, SMILES, flexibase
1.01,5.9,-15.47,1,4,0, 316.397, 0
34266934
 
#29

StruChem BB make-on-demand: SC-60649
Lab Seeker BB (Depleted): SC-60649
ref: mol2, SDF, SMILES, flexibase
1.01,5.79,-14.11,1,4,0, 316.397, 0
34266933
 
#30

StruChem BB make-on-demand: SC-60649
Lab Seeker BB (Depleted): SC-60649
ref: mol2, SDF, SMILES, flexibase
1.01,5.38,-12.83,1,4,0, 316.397, 0
34266932
 
#31

StruChem BB make-on-demand: SC-60649
Lab Seeker BB (Depleted): SC-60649
ref: mol2, SDF, SMILES, flexibase
1.01,5.45,-12.4,1,4,0, 316.397, 0
44379732
 
#32

Lab Seeker Building Blocks: SC-60300
StruChem BB make-on-demand: SC-60300
SureChEMBL: SCHEMBL1967720
ref: mol2, SDF, SMILES, flexibase
1.83,2.75,-4.31,1,1,0, 176.137, 2
27201891
 
#33

Lab Seeker Building Blocks: SC-62778
Sphinx Make-on-demand: NAP-1-0038
StruChem BB make-on-demand: SC-62778
BindingDB.org: 50421651
ChEMBL12: CHEMBL123155...8 total

ref: mol2, SDF, SMILES, flexibase
3.49,5.61,-6.61,1,2,0, 206.628, 1
hi: mol2, SDF, SMILES, flexibase
3.49,6.6,-47.72,0,2,-1, 205.62, 1

Similar to: 34453162,
44380522
 
#34

Lab Seeker Building Blocks: SC-60194
StruChem BB make-on-demand: SC-60194
Alfa Chemistry (Depleted): ACM1000550082
ref: mol2, SDF, SMILES, flexibase
1.73,1.94,-4.54,1,2,0, 188.173, 3
19171631
 
#35

EDASA Scientific: BB0218181
Fluorochem: 042255
Lab Seeker Building Blocks: SC-59964
StruChem BB make-on-demand: SC-59964
BOC Sciences BB (Depleted): 10584-43-7...6 total

ref: mol2, SDF, SMILES, flexibase
-1.84,-0.71,-46.93,7,4,1, 167.236, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,0.05,-42.15,7,4,1, 167.236, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,-0.16,-91.26,8,4,2, 168.244, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,-0.51,-4.01,6,4,0, 166.228, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,-0.93,-95.05,8,4,2, 168.244, 4
mid: mol2, SDF, SMILES, flexibase
-1.84,0.59,-89.31,8,4,2, 168.244, 4
19265147
 
#36

Lab Seeker Building Blocks: SC-59916
StruChem BB make-on-demand: SC-59916
Alfa Chemistry (Depleted): ACM1016728178
PubChem: 20113011
Enamine BB Make on Demand: BBV-37836175...6 total

ref: mol2, SDF, SMILES, flexibase
0.35,2.43,-41.78,4,2,1, 143.235, 3
mid: mol2, SDF, SMILES, flexibase
0.35,1.67,-43.77,4,2,1, 143.235, 3
mid: mol2, SDF, SMILES, flexibase
0.35,1.86,-4.38,3,2,0, 142.227, 3
19386617
 
#37

Lab Seeker Building Blocks: SC-59955
StruChem BB make-on-demand: SC-59955
Alfa Chemistry (Depleted): ACM1016500110
PubChem: 20118671
Enamine BB Make on Demand: BBV-047524...6 total

ref: mol2, SDF, SMILES, flexibase
-0.56,2.15,-38.96,4,3,1, 141.194, 2
mid: mol2, SDF, SMILES, flexibase
-0.56,1.37,-46.85,4,3,1, 141.194, 2
mid: mol2, SDF, SMILES, flexibase
-0.56,1.57,-4.71,3,3,0, 140.186, 2
89203527
 
#38

Lab Seeker Building Blocks: SC-60460
Sphinx Make-on-demand: IN-1-0703
StruChem BB make-on-demand: SC-60460
ref: mol2, SDF, SMILES, flexibase
2.21,2.11,-15.42,2,3,0, 194.621, 1
hi: mol2, SDF, SMILES, flexibase
2.27,3.82,-55.03,1,3,-1, 193.613, 1
hi: mol2, SDF, SMILES, flexibase
2.21,3.13,-38.49,1,3,-1, 193.613, 1
19168031
 
#39

American Custom Chemicals Corp.: CHM0143940
Chembo Pharma: KB-216937
Lab Seeker Building Blocks: SC-60002
StruChem BB make-on-demand: SC-60002
Leadscope via PubChem: LS-76900...7 total

ref: mol2, SDF, SMILES, flexibase
0.85,3.83,-42.36,4,2,1, 151.233, 3
mid: mol2, SDF, SMILES, flexibase
0.85,3.07,-44.12,4,2,1, 151.233, 3
mid: mol2, SDF, SMILES, flexibase
0.85,3.26,-4.11,3,2,0, 150.225, 3
19262567
 
#40

StruChem BB make-on-demand: SC-60055
PubChem: 20112249
ref: mol2, SDF, SMILES, flexibase
1.08,3.91,-40.85,4,3,1, 189.238, 3
mid: mol2, SDF, SMILES, flexibase
1.08,4.52,-37.36,4,3,1, 189.238, 3
mid: mol2, SDF, SMILES, flexibase
1.08,4.09,-4.74,3,3,0, 188.23, 3
19262565
 
#41

StruChem BB make-on-demand: SC-60055
PubChem: 20112249
ref: mol2, SDF, SMILES, flexibase
1.08,3.81,-37.37,4,3,1, 189.238, 3
mid: mol2, SDF, SMILES, flexibase
1.08,4.53,-37.36,4,3,1, 189.238, 3
mid: mol2, SDF, SMILES, flexibase
1.08,3.95,-4.66,3,3,0, 188.23, 3
44367836
 
#42

Lab Seeker Building Blocks: SC-60087
StruChem BB make-on-demand: SC-60087
Alfa Chemistry (Depleted): ACM1000535330
ref: mol2, SDF, SMILES, flexibase
4.11,10.6,-8.95,0,3,0, 313.784, 5
19385174
 
#43

StruChem BB make-on-demand: SC-59959
PubChem: 20118273
Enamine BB Make on Demand: BBV-046898
UORSY BB Make-on-demand: BBV-046898
ref: mol2, SDF, SMILES, flexibase
-1.20,-1.32,-48.68,4,4,1, 139.182, 2
mid: mol2, SDF, SMILES, flexibase
-1.20,-0.55,-41.28,4,4,1, 139.182, 2
mid: mol2, SDF, SMILES, flexibase
-1.20,-1.11,-5.63,3,4,0, 138.174, 2
96125948
 
#44

Lab Seeker Building Blocks: SC-60171
StruChem BB make-on-demand: SC-60171
SureChEMBL: SCHEMBL8224668
ref: mol2, SDF, SMILES, flexibase
0.82,2.37,-48.15,4,2,1, 175.614, 2
19166982
 
#45

StruChem BB make-on-demand: SC-59970
Leadscope via PubChem: LS-76695
Enamine BB Make on Demand: BBV-060518
UORSY BB Make-on-demand: BBV-060518
ref: mol2, SDF, SMILES, flexibase
1.13,3.84,-44.84,4,2,1, 171.651, 3
mid: mol2, SDF, SMILES, flexibase
1.13,3.08,-45.81,4,2,1, 171.651, 3
mid: mol2, SDF, SMILES, flexibase
1.13,3.28,-4.04,3,2,0, 170.643, 3
96125947
 
#46

Lab Seeker Building Blocks: SC-12846
StruChem BB make-on-demand: SC-12846
BOC Sciences BB (Depleted): 221161-35-9
SureChEMBL: SCHEMBL6961829
ref: mol2, SDF, SMILES, flexibase
3.71,9.06,-14.59,1,1,0, 257.195, 5
96125946
 
#47

Lab Seeker Building Blocks: SC-59824
StruChem BB make-on-demand: SC-59824
BOC Sciences BB (Depleted): 123330-86-9
ref: mol2, SDF, SMILES, flexibase
2.96,5.96,-7.82,1,6,0, 239.227, 4
mid: mol2, SDF, SMILES, flexibase
2.96,6.95,-42.9,0,6,-1, 238.219, 4
19168035
 
#48

Chembo Pharma: KB-214974
Enamine Building Blocks: EN300-82494
Innovapharm Building Blocks: BBS-00024782
Molport BB: MolPort-020-167-600
Oakwood Chemical: 044753...10 total

ref: mol2, SDF, SMILES, flexibase
0.51,2.64,-44.22,4,3,1, 167.232, 4
mid: mol2, SDF, SMILES, flexibase
0.51,1.88,-45.89,4,3,1, 167.232, 4
mid: mol2, SDF, SMILES, flexibase
0.51,2.07,-5.35,3,3,0, 166.224, 4
52986906
 
#49

Enolase via KEGG (EFI): C03283_2
Scientific Exchange (make on demand): F-441608
AK Scientific: 3213AB, 1360AC, W7673, V1165, X3169
Alfa-Aesar: A15408, L10093
Alinda Building Blocks: ALBB-025018...135 total

hi: mol2, SDF, SMILES, flexibase
2.50,6.11,-84.93,6,7,2, 475.637, 8
96125945
 
#50

Lab Seeker Building Blocks: SC-60337
StruChem BB make-on-demand: SC-60337
BindingDB.org: 98554
SureChEMBL: SCHEMBL1153996
ref: mol2, SDF, SMILES, flexibase
5.10,15.43,-44.11,3,5,1, 479.526, 7
hi: mol2, SDF, SMILES, flexibase
5.10,14.91,-14.34,2,5,0, 478.518, 7
96125944
 
#51

Lab Seeker Building Blocks: SC-60337
StruChem BB make-on-demand: SC-60337
BindingDB.org: 98554
SureChEMBL: SCHEMBL1153996
ref: mol2, SDF, SMILES, flexibase
5.10,14.54,-40.29,3,5,1, 479.526, 7
hi: mol2, SDF, SMILES, flexibase
5.10,15.08,-13.91,2,5,0, 478.518, 7
38418146
 
#52

Lab Seeker Building Blocks: SC-59802
StruChem BB make-on-demand: SC-59802
BOC Sciences BB (Depleted): 155388-63-9
SureChEMBL: SCHEMBL2616115
ref: mol2, SDF, SMILES, flexibase
3.25,6.89,-37.02,0,6,-1, 238.219, 4
mid: mol2, SDF, SMILES, flexibase
3.25,5.89,-8.18,1,6,0, 239.227, 4

Similar to: 39240179, 4202341, 10530457,
44380175
 
#53

Lab Seeker Building Blocks: SC-60177
StruChem BB make-on-demand: SC-60177
Alfa Chemistry (Depleted): ACM1000528459
ref: mol2, SDF, SMILES, flexibase
2.47,3.31,-3.99,1,1,0, 208.154, 3
44380180
 
#54

Lab Seeker Building Blocks: SC-60115
StruChem BB make-on-demand: SC-60115
ref: mol2, SDF, SMILES, flexibase
3.20,4.26,-4.19,1,1,0, 258.161, 4
19390948
 
#55

StruChem BB make-on-demand: SC-59978
PubChem: 20119636
Enamine BB Make on Demand: BBV-049022
ref: mol2, SDF, SMILES, flexibase
1.16,2.09,-49.21,5,3,1, 193.27, 1
mid: mol2, SDF, SMILES, flexibase
1.16,1.47,-40.7,5,3,1, 193.27, 1
hi: mol2, SDF, SMILES, flexibase
1.16,1.48,-4.97,4,3,0, 192.262, 1
19390946
 
#56

StruChem BB make-on-demand: SC-59978
PubChem: 20119636
Enamine BB Make on Demand: BBV-049022
ref: mol2, SDF, SMILES, flexibase
1.16,2.57,-41.66,5,3,1, 193.27, 1
mid: mol2, SDF, SMILES, flexibase
1.16,1.81,-54.47,5,3,1, 193.27, 1
hi: mol2, SDF, SMILES, flexibase
1.16,2.09,-5.83,4,3,0, 192.262, 1
19390954
 
#57

StruChem BB make-on-demand: SC-59978
PubChem: 20119636
Enamine BB Make on Demand: BBV-049022
ref: mol2, SDF, SMILES, flexibase
1.16,1.93,-50.01,5,3,1, 193.27, 1
mid: mol2, SDF, SMILES, flexibase
1.16,1.15,-46.06,5,3,1, 193.27, 1
hi: mol2, SDF, SMILES, flexibase
1.16,1.36,-5.02,4,3,0, 192.262, 1
19390951
 
#58

StruChem BB make-on-demand: SC-59978
PubChem: 20119636
Enamine BB Make on Demand: BBV-049022
ref: mol2, SDF, SMILES, flexibase
1.16,2.87,-42.98,5,3,1, 193.27, 1
mid: mol2, SDF, SMILES, flexibase
1.16,2.24,-47.83,5,3,1, 193.27, 1
hi: mol2, SDF, SMILES, flexibase
1.16,2.08,-9.2,4,3,0, 192.262, 1
38868980
 
#59

Lab Seeker Building Blocks: SC-59809
StruChem BB make-on-demand: SC-59809
SureChEMBL: SCHEMBL357203
ref: mol2, SDF, SMILES, flexibase
3.34,7.93,-7.77,0,5,0, 241.218, 4
19393296
 
#60

Lab Seeker Building Blocks: SC-59915
StruChem BB make-on-demand: SC-59915
Alfa Chemistry (Depleted): ACM1016516101
PubChem: 20120135
Enamine BB Make on Demand: BBV-049797...6 total

ref: mol2, SDF, SMILES, flexibase
1.64,5.57,-44.42,4,2,1, 187.266, 3
mid: mol2, SDF, SMILES, flexibase
1.64,4.82,-45.73,4,2,1, 187.266, 3
hi: mol2, SDF, SMILES, flexibase
1.64,5.01,-5.32,3,2,0, 186.258, 3
96125943
 
#61

Lab Seeker Building Blocks: SC-60190
StruChem BB make-on-demand: SC-60190
SureChEMBL: SCHEMBL1295918, SCHEMBL6211647
ref: mol2, SDF, SMILES, flexibase
2.92,6.05,-6.92,0,1,0, 206.138, 3
96125942
 
#62

Molport: MolPort-018-617-033
AK Scientific: 2019AE
Alinda Building Blocks: ALBB-014983
Ark Pharm Building Blocks: AK164807
ChemDiv BuildingBlocks: BB55-8129...19 total

96125941
 
#63

Lab Seeker Building Blocks: SC-59819
StruChem BB make-on-demand: SC-59819
96125940
 
#64

Lab Seeker Building Blocks: SC-59592
StruChem BB make-on-demand: SC-59592
Debye Scientific BB (Depleted): DB-066351
96125939
 
#65

Lab Seeker Building Blocks: SC-59914
StruChem BB make-on-demand: SC-59914
96125938
 
#66

Innovapharm Building Blocks: BBS-00021628
Lab Seeker Building Blocks: SC-59920
Life Chemicals Building Blocks: F2147-1217
StruChem BB make-on-demand: SC-59920
ChemDiv BB (Depleted): BB25-0114...7 total

96125937
 
#67

Innovapharm Building Blocks: BBS-00021628
Lab Seeker Building Blocks: SC-59920
Life Chemicals Building Blocks: F2147-1217
StruChem BB make-on-demand: SC-59920
ChemDiv BB (Depleted): BB25-0114...7 total

1470593
 
#68

Lab Seeker Building Blocks: SC-62676
StruChem BB make-on-demand: SC-62676
lo: mol2, SDF, SMILES, flexibase
4.00,9.82,-30.79,1,6,1, 371.457, 10
19418967
 
#69

eMolecules: 496458
Molport: MolPort-001-794-396
AK Scientific: HTS000824
Ark Pharm Building Blocks: AK126218
Capot Chemical: 7252...37 total

96125936
 
#70

Enamine Building Blocks: EN300-174440
Lab Seeker Building Blocks: SC-59958
StruChem BB make-on-demand: SC-59958
Alfa Chemistry (Depleted): ACM1016741211
96125935
 
#71

Lab Seeker Building Blocks: SC-60145
StruChem BB make-on-demand: SC-60145
4992729
 
#72

ChemMol: 96709697
Molport: MolPort-016-634-897
AK Scientific: V3418
AKOS: AKOS008122348
Aldrich CPR: CDS019332|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
0.53,1.58,-7.74,3,4,0, 160.18, 1
mid: mol2, SDF, SMILES, flexibase
0.53,1.54,-7.53,3,4,0, 160.18, 1
hi: mol2, SDF, SMILES, flexibase
0.05,2.01,-12.42,2,4,0, 160.18, 1
lo: mol2, SDF, SMILES, flexibase
0.53,1.7,-31.52,4,4,1, 161.188, 1

Similar to: 26511665,
34111638
 
#73

Lab Seeker Building Blocks: SC-60412
StruChem BB make-on-demand: SC-60412
Alfa Chemistry (Depleted): ACM104317955
BOC Sciences BB (Depleted): 104317-95-5
SureChEMBL: SCHEMBL5430585...5 total

ref: mol2, SDF, SMILES, flexibase
2.96,3.35,-4.5,1,1,0, 268.481, 1
170835
 
#74

eMolecules: 4853730
Molport: MolPort-001-777-484
AK Scientific: 0696AB
Anward: ANW-56152
Apollo Scientific: PC8746...37 total

ref: mol2, SDF, SMILES, flexibase
2.47,4.35,-8.43,3,3,0, 227.189, 2
ref: mol2, SDF, SMILES, flexibase
2.16,4.89,-40.16,3,3,1, 228.197, 2
mid: mol2, SDF, SMILES, flexibase
2.47,4.33,-7.26,3,3,0, 227.189, 2
lo: mol2, SDF, SMILES, flexibase
2.47,4.45,-35.29,4,3,1, 228.197, 2

Similar to: 39955192,
96125934
 
#75

Lab Seeker Building Blocks: SC-60243
StruChem BB make-on-demand: SC-60243
ref: mol2, SDF, SMILES, flexibase
2.21,5.75,-8.53,1,3,0, 267.126, 3
96125933
 
#76

BOC Sciences BB: 114484-08-1
Lab Seeker Building Blocks: SC-59009
StruChem BB make-on-demand: SC-59009
ref: mol2, SDF, SMILES, flexibase
2.07,1.69,-6.02,4,3,0, 174.203, 1
lo: mol2, SDF, SMILES, flexibase
2.07,1.5,-48.44,5,3,1, 175.211, 1
44215139
 
#77

BOC Sciences BB: 124082-16-2
Lab Seeker Building Blocks: SC-59298
StruChem BB make-on-demand: SC-59298
ref: mol2, SDF, SMILES, flexibase
0.55,7.42,-40.68,3,4,0, 271.316, 6
44215137
 
#78

BOC Sciences BB: 124082-16-2
Lab Seeker Building Blocks: SC-59298
StruChem BB make-on-demand: SC-59298
ref: mol2, SDF, SMILES, flexibase
0.55,7.41,-40.36,3,4,0, 271.316, 6

Similar to: 5574443, 5574480,
96125932
 
#79

Lab Seeker Building Blocks: SC-60070
StruChem BB make-on-demand: SC-60070
ref: mol2, SDF, SMILES, flexibase
1.54,5.01,-11.87,0,5,0, 311.311, 4
68561925
 
#80

eMolecules: 36729232
Molport: MolPort-018-617-298
AKOS: AKOS005138248
BOC Sciences BB: 10523-64-5
Chembo Pharma: KB-223285...17 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.05,-26.95,4,4,0, 175.191, 0
4234613
 
#81

eMolecules: 709823
Molport: MolPort-002-678-827
ACB Blocks: APY-0066, ACB-0940
AKOS: AKOS000186137, AKOS001476503
Asinex: BAS07743429...34 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.66,-7.13,3,3,0, 209.252, 1
ref: mol2, SDF, SMILES, flexibase
2.76,5.66,-8.9,3,3,0, 209.252, 1
lo: mol2, SDF, SMILES, flexibase
2.76,5.79,-28.72,4,3,1, 210.26, 1

Similar to: 3676666,
95351671
 
#82

eMolecules: 840819, 643414
AK Scientific: 7158AC
Aldrich CPR: R523968|ALDRICH
Alinda: IBS-B0012871
Alinda Building Blocks: ALBB-012871...48 total

95351670
 
#83

eMolecules: 840819, 643414
AK Scientific: 7158AC
Aldrich CPR: R523968|ALDRICH
Alinda: IBS-B0012871
Alinda Building Blocks: ALBB-012871...48 total

3887540
 
#84

eMolecules: 2860916
Molport: MolPort-002-466-246
ACB Blocks: APY-0216
Ark Pharm Building Blocks: AK-59404
Bide Pharmatech BB: BD27518...38 total

ref: mol2, SDF, SMILES, flexibase
1.53,4.07,-12.5,3,6,0, 204.189, 2
mid: mol2, SDF, SMILES, flexibase
1.53,4.04,-11.05,3,6,0, 204.189, 2

Similar to: 34976168, 39120276,
5543549
 
#85

Lab Seeker Building Blocks: SC-60645
StruChem BB make-on-demand: SC-60645
ChEMBL19: CHEMBL2001557
ChemDB: 4938354
ref: mol2, SDF, SMILES, flexibase
1.24,-0.16,-16.74,4,7,0, 309.329, 2
hi: mol2, SDF, SMILES, flexibase
1.42,-1.81,-59.11,3,7,-1, 308.321, 2
5543548
 
#86

Lab Seeker Building Blocks: SC-60645
StruChem BB make-on-demand: SC-60645
ChEMBL19: CHEMBL2001557
ChemDB: 4938354
ref: mol2, SDF, SMILES, flexibase
1.24,0.5,-18.56,4,7,0, 309.329, 2
hi: mol2, SDF, SMILES, flexibase
1.42,-1.27,-63.89,3,7,-1, 308.321, 2
19404364
 
#87

Lab Seeker Building Blocks: SC-60074
StruChem BB make-on-demand: SC-60074
Alfa Chemistry (Depleted): ACM1016700392
Enamine BB Make on Demand: BBV-053616
UORSY BB Make-on-demand: BBV-053616...5 total

ref: mol2, SDF, SMILES, flexibase
1.03,3.59,-41.72,4,3,1, 181.259, 5
mid: mol2, SDF, SMILES, flexibase
1.03,2.83,-45.98,4,3,1, 181.259, 5
mid: mol2, SDF, SMILES, flexibase
1.03,3.04,-5.26,3,3,0, 180.251, 5
96125931
 
#88

BOC Sciences BB: 111586-70-0
Lab Seeker Building Blocks: SC-59015
StruChem BB make-on-demand: SC-59015
SureChEMBL: SCHEMBL6626220
ref: mol2, SDF, SMILES, flexibase
3.48,6.64,-6.92,3,2,0, 208.264, 1
lo: mol2, SDF, SMILES, flexibase
3.48,6.45,-50.82,4,2,1, 209.272, 1
96125930
 
#89

Chembo Pharma: KB-284784
Lab Seeker Building Blocks: SC-59987
StruChem BB make-on-demand: SC-59987
ref: mol2, SDF, SMILES, flexibase
1.18,3.57,-24.68,4,3,1, 150.205, 1
mid: mol2, SDF, SMILES, flexibase
1.18,3.24,-6.55,3,3,0, 149.197, 1
19168865
 
#90

Molport: MolPort-002-500-685
BOC Sciences BB: 21085-57-4
Fluorochem: 034215
Oakwood Chemical: 034215
StruChem BB make-on-demand: SC-60165...8 total

ref: mol2, SDF, SMILES, flexibase
1.74,4.29,-47.56,4,2,1, 206.096, 3
mid: mol2, SDF, SMILES, flexibase
1.74,3.53,-47.97,4,2,1, 206.096, 3
mid: mol2, SDF, SMILES, flexibase
1.74,3.72,-4.42,3,2,0, 205.088, 3

Similar to: 39315202,
96125929
 
#91

Lab Seeker Building Blocks: SC-19238
Tractus: TRA0036590
StruChem BB make-on-demand: SC-19238
SureChEMBL: SCHEMBL14284909
ref: mol2, SDF, SMILES, flexibase
1.11,8.01,-14.63,1,4,0, 356.462, 0
96125928
 
#92

Lab Seeker Building Blocks: SC-19238
Tractus: TRA0036590
StruChem BB make-on-demand: SC-19238
SureChEMBL: SCHEMBL14284909
ref: mol2, SDF, SMILES, flexibase
1.11,8.53,-16.64,1,4,0, 356.462, 0
96125927
 
#93

Lab Seeker Building Blocks: SC-19238
Tractus: TRA0036590
StruChem BB make-on-demand: SC-19238
SureChEMBL: SCHEMBL14284909
ref: mol2, SDF, SMILES, flexibase
1.11,8.26,-14.38,1,4,0, 356.462, 0
96125926
 
#94

Lab Seeker Building Blocks: SC-19238
Tractus: TRA0036590
StruChem BB make-on-demand: SC-19238
SureChEMBL: SCHEMBL14284909
ref: mol2, SDF, SMILES, flexibase
1.11,8.04,-14.45,1,4,0, 356.462, 0
96125925
 
#95

Lab Seeker Building Blocks: SC-59715
StruChem BB make-on-demand: SC-59715
ref: mol2, SDF, SMILES, flexibase
5.14,3.67,-3.48,3,2,0, 208.208, 3
lo: mol2, SDF, SMILES, flexibase
5.14,3.46,-50.39,4,2,1, 209.216, 3
8729812
 
#96

ChemMol: 44029938
AK Scientific: V3416
Aldrich CPR: JRD0045|ALDRICH
Anward: ANW-55671
Ark Pharm Building Blocks: AK-59658...38 total

ref: mol2, SDF, SMILES, flexibase
2.38,3.97,-6.19,3,3,0, 238.088, 1
ref: mol2, SDF, SMILES, flexibase
2.07,4.51,-34.31,3,3,1, 239.096, 1
mid: mol2, SDF, SMILES, flexibase
2.38,3.95,-6.07,3,3,0, 238.088, 1
lo: mol2, SDF, SMILES, flexibase
2.38,4.1,-30.46,4,3,1, 239.096, 1
95644690
 
#97

AK Scientific: V4274
Alinda Building Blocks: ALBB-021253
Angene Building Blocks: AGN-PC-0L0JNZ
Chembo Pharma: KB-40745
ChemDiv BuildingBlocks: BB01-5797...10 total

2529983
 
#98

American Custom Chemicals Corp.: CHM0097975
Chembo Pharma: KB-277541
Chemstep: 5014
Lab Seeker Building Blocks: SC-60418
StruChem BB make-on-demand: SC-60418...9 total

ref: mol2, SDF, SMILES, flexibase
3.18,3.91,-4.51,1,2,0, 149.193, 1
16928835
 
#99

Chembo Pharma: KB-207501
Lab Seeker Building Blocks: SC-59042
NCI Plated 2007: 127215
StruChem BB make-on-demand: SC-59042
ChemDB: 5139605...6 total

ref: mol2, SDF, SMILES, flexibase
1.82,3.36,-8.24,3,4,0, 192.247, 2
mid: mol2, SDF, SMILES, flexibase
2.74,3.62,-8.11,3,4,0, 192.247, 1

Similar to: 26509294, 32236659, 36753201, 36753210, 36753349, ... 5 in total.
1403937
 
#100

eMolecules: 30519030
Molport: MolPort-002-883-500
ACB Blocks: APY-0175
AKOS: AKOS000185615, AKOS001476781
Ark Pharm Building Blocks: AK-83708...29 total

ref: mol2, SDF, SMILES, flexibase
2.88,4.33,-5.74,3,3,0, 228.082, 1
ref: mol2, SDF, SMILES, flexibase
2.88,4.31,-6.14,3,3,0, 228.082, 1
lo: mol2, SDF, SMILES, flexibase
2.88,4.39,-36.77,4,3,1, 229.09, 1

Similar to: 3676760,

Old detail retrieval took 2 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 = 803 ) limit 0,100

Smiles were