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15446287
 
#1

AK Scientific: Z3260
AKOS: AKOS015945609
Capot Chemical: 20836
Chembo Pharma: KB-88283, KB-257702
ProVence Building Blocks: AZA0295...15 total

ref: mol2, SDF, SMILES, flexibase
1.07,3.57,-8.97,1,5,0, 201.185, 2
lo: mol2, SDF, SMILES, flexibase
1.07,3.84,-41.54,2,5,1, 202.193, 2

Similar to: 44712889, 44712890,
44700134
 
#2

ChemMol: 96709711
Chembo Pharma: KB-44405
ProVence Building Blocks: AZA0087
Tractus: TRA0005973
Individual Suppliers: UNNAMED00000087...7 total

ref: mol2, SDF, SMILES, flexibase
2.23,4.82,-7.89,1,2,0, 186.136, 1

Similar to: 44700139, 44713297, 44713410,
40566680
 
#3

AK Scientific: 2404AA
Anward: ANW-55122
Ark Pharm Building Blocks: AK-71160
BePharm Building Blocks: B202135
Chembo Pharma: KB-66048...20 total

ref: mol2, SDF, SMILES, flexibase
3.02,8.42,-10.64,0,3,0, 267.254, 2
13283829
 
#4

ProVence Building Blocks: AZA0222, AZA0095
ChemDB: 5208926
Individual Suppliers: UNNAMED00000095, UNNAMED00000223
PubChem: 317324
ref: mol2, SDF, SMILES, flexibase
2.92,9.18,-7.83,0,3,0, 225.295, 1
lo: mol2, SDF, SMILES, flexibase
2.92,9.46,-37.75,1,3,1, 226.303, 1

Similar to: 36471147,
37593630
 
#5

AKOS: AKOS015945772
Capot Chemical: 20926
Chembo Pharma: KB-88338, KB-257704
ProVence Building Blocks: AZA0238
Ryan Scientific BB: 048-09667...14 total

ref: mol2, SDF, SMILES, flexibase
1.14,5.29,-9.45,0,5,0, 215.212, 2
57218486
 
#6

Molport: MolPort-016-635-793
Enamine Building Blocks: EN300-66301
Molport BB: MolPort-016-635-793
ProVence Building Blocks: AZA0253
Ryan Scientific BB: 000-45009...8 total

ref: mol2, SDF, SMILES, flexibase
2.42,5.32,-10.17,0,4,0, 224.647, 2

Similar to: 38212724,
39947110
 
#7

Enamine Building Blocks: EN300-51275
ProVence Building Blocks: AZA0269
Ryan Scientific BB: 000-39421
Individual Suppliers: UNNAMED00000270
PubChem: 47002146...5 total

ref: mol2, SDF, SMILES, flexibase
1.97,7.47,-10.55,0,4,0, 227.267, 2
1392844
 
#8

ChemMol: 2001097, 96706450
Adesis: 4-121
AK Scientific: 4254AB
AKOS: AKOS005075991
Aldrich CPR: ADE000884|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
2.69,6.62,-13.29,0,4,0, 272.329, 2
37593631
 
#9

AKOS: AKOS015945816
Chembo Pharma: KB-257716
ProVence Building Blocks: AZA0302
Zylexa Pharma BB: ZP-BB-OB000056
AKOS BB (make-on-demand): AKOS015945816...7 total

ref: mol2, SDF, SMILES, flexibase
1.17,4.62,-14.59,0,5,0, 218.212, 3
lo: mol2, SDF, SMILES, flexibase
1.17,5.05,-36.38,1,5,1, 219.22, 3

Similar to: 44712889,
39242794
 
#10

ChemMol: 96708022
Molport: MolPort-021-874-664
Chembo Pharma: KB-65452
Molport BB: MolPort-021-874-664
ProVence Building Blocks: AZA0330...10 total

ref: mol2, SDF, SMILES, flexibase
1.86,4.98,-6.96,1,2,0, 146.193, 0

Similar to: 16678102,
6643328
 
#11

ChemMol: 96706587, 44014374
A&J Pharmtech: AJ-03000, AJ-01175
Adesis: 4-127
AK Scientific: X8536
Aldrich CPR: ADE000889|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
0.89,1.67,-7.63,3,3,0, 133.154, 0
ref: mol2, SDF, SMILES, flexibase
0.60,1.45,-13.13,2,3,0, 133.154, 0
mid: mol2, SDF, SMILES, flexibase
0.89,1.91,-27.74,4,3,1, 134.162, 0
lo: mol2, SDF, SMILES, flexibase
0.60,1.9,-38.11,3,3,1, 134.162, 0

Similar to: 44712800,
19046171
 
#12

ChemMol: 96712477
Molport: MolPort-035-387-010
AK Scientific: 2481AC
Anward: ANW-53257
Ark Pharm Building Blocks: AK-93204...20 total

ref: mol2, SDF, SMILES, flexibase
1.90,4.83,-10.56,1,3,0, 222.045, 0

Similar to: 44712629,
37593628
 
#13

AKOS: AKOS015945771
Chembo Pharma: KB-254931
ProVence Building Blocks: AZA0566
Tractus: TRA0129535
Zylexa Pharma BB: ZP-BB-OB000054...11 total

ref: mol2, SDF, SMILES, flexibase
2.76,6.92,-12.07,0,6,0, 330.365, 4
lo: mol2, SDF, SMILES, flexibase
2.76,7.37,-42.39,1,6,1, 331.373, 4
15446286
 
#14

ChemMol: 97802868, 30113191
Molport: MolPort-002-344-503
Aldrich CPR: CDS020280|ALDRICH
Alfa-Aesar: H34321
Angene Building Blocks: AGN-PC-03NAOB...30 total

ref: mol2, SDF, SMILES, flexibase
1.33,3.17,-9.37,1,4,0, 176.175, 2
lo: mol2, SDF, SMILES, flexibase
1.33,3.45,-35.41,2,4,1, 177.183, 2

Similar to: 38293913, 44712889, 44712890, 44713384, ... 4 in total.
37593626
 
#15

AKOS: AKOS015945770
Ark Pharm Building Blocks: AK163749
Aromalake BB: LS40858
Bide Pharmatech BB: BD291822
Capot Chemical: 20925...15 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.7,-10.65,1,4,0, 255.071, 2
lo: mol2, SDF, SMILES, flexibase
2.07,4.15,-36.48,2,4,1, 256.079, 2

Similar to: 44712887, 44712896,
37593615
 
#16

AKOS: AKOS015945305
Capot Chemical: 20641
Chembo Pharma: KB-257495
ProVence Building Blocks: AZA0576
Ryan Scientific BB: 048-09648...12 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.69,-8.03,1,5,0, 201.185, 2
66054379
 
#17

Molport: MolPort-015-157-282
A&J Pharmtech: AJ-01963
Adesis: 4-454
AK Scientific: 2742AD
AKOS: AKOS015834492...23 total

ref: mol2, SDF, SMILES, flexibase
2.29,4.91,-5.43,1,4,0, 255.071, 2
5763894
 
#18

ChemMol: 30109656, 44011855, 97801898, 2000296, 96701158
Acorn PharmaTech: ACN-S002729, ACN-S003171
AK Scientific: X0217
AKOS: AKOS005070014
Alfa-Aesar: H66137...67 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.4,-7.55,1,2,0, 197.035, 0

Similar to: 44712607, 44712751,
14401132
 
#19

ChemMol: 96710255, 96709838
Molport: MolPort-020-000-914
A&J Pharmtech: AJ-03066, AJ-01320
Adesis: 4-260
AK Scientific: W9896...60 total

ref: mol2, SDF, SMILES, flexibase
0.67,1.65,-7.86,3,3,0, 133.154, 0
mid: mol2, SDF, SMILES, flexibase
0.67,2.1,-27.91,4,3,1, 134.162, 0
mid: mol2, SDF, SMILES, flexibase
0.41,1.33,-59.94,3,3,1, 134.162, 0
14984902
 
#20

ChemMol: 97805618, 96712343, 96710249
Molport: MolPort-016-582-301
Acorn PharmaTech: ACN-S002728
AK Scientific: W4084, X8537
AKOS: AKOS005214187...59 total

ref: mol2, SDF, SMILES, flexibase
0.67,1.71,-6.81,3,3,0, 133.154, 0
ref: mol2, SDF, SMILES, flexibase
0.36,0.96,-33.39,3,3,1, 134.162, 0
lo: mol2, SDF, SMILES, flexibase
0.36,1.42,-92.31,4,3,2, 135.17, 0
lo: mol2, SDF, SMILES, flexibase
0.67,1.94,-29.35,4,3,1, 134.162, 0

Similar to: 44712645, 44712800,
14984912
 
#21

ChemMol: 44031871, 96710202
AK Scientific: Y5434
Anward: ANW-57251
Apexmol Building Blocks: AM20051182
Ark Pharm Building Blocks: AK-45335...32 total

ref: mol2, SDF, SMILES, flexibase
0.94,4.25,-9.82,1,3,0, 143.149, 0
lo: mol2, SDF, SMILES, flexibase
0.94,4.51,-40.58,2,3,1, 144.157, 0
12404833
 
#22

ChemMol: 97802538, 30113122, 96709846
eMolecules: 11466658
AK Scientific: Y5411
Aldrich CPR: SYX00140|ALDRICH
Angene Building Blocks: AGN-PC-01GBFD...47 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.3,-7.72,1,4,0, 176.175, 2
lo: mol2, SDF, SMILES, flexibase
1.33,4.55,-36.38,2,4,1, 177.183, 2

Similar to: 34564354, 36373267,
32628002
 
#23

Molport: MolPort-016-633-614
Enamine Building Blocks: EN300-41168
Molport BB: MolPort-016-633-614
ProVence Building Blocks: AZA0589
Ryan Scientific BB: 000-31554...9 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.41,-10.75,1,3,0, 171.203, 0
14984920
 
#24

ChemMol: 44031850, 96709719
AK Scientific: X8547
Alfa-Aesar: H33141
Angene Building Blocks: AGN-PC-00ASIT
Anward: ANW-43990...38 total

ref: mol2, SDF, SMILES, flexibase
1.37,4.45,-8.39,1,5,0, 163.136, 1
hi: mol2, SDF, SMILES, flexibase
2.41,3.26,-19.89,5,9,0, 449.421, 5
lo: mol2, SDF, SMILES, flexibase
1.37,4.69,-36.58,2,5,1, 164.144, 1

Similar to: 34478750, 39244826,
72190679
 
#25

Molport: MolPort-023-219-430
Key Organics Building Blocks: BG-0722
KeyOrganics: BG-0722
Matrix Scientific: 071336
Mcule: MCULE-5905165772...12 total

ref: mol2, SDF, SMILES, flexibase
0.56,6.41,-53.49,0,5,-1, 200.177, 1
6643327
 
#26

ChemMol: 44028925, 96706706, 30117327
A&J Pharmtech: AJ-01173
Adesis: 4-126
AK Scientific: V2267
Aldrich CPR: ADE000888|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
0.81,3.4,-52,1,4,-1, 161.14, 1

Similar to: 44712638, 44712640,
14984910
 
#27

ChemMol: 96710254, 97805620
AK Scientific: W8673
Angene Building Blocks: AGN-PC-0JU6PA
Anward: ANW-49229
Apexmol Building Blocks: AM20061530...31 total

ref: mol2, SDF, SMILES, flexibase
1.15,4.4,-9.92,1,5,0, 163.136, 1
lo: mol2, SDF, SMILES, flexibase
1.15,4.66,-42.37,2,5,1, 164.144, 1
14007927
 
#28

ChemMol: 96710247, 2000300, 44027076
Acorn PharmaTech: ACN-S002727
AKOS: AKOS005071928
Angene Building Blocks: AGN-PC-00LXD3
Anward: ANW-44621...35 total

ref: mol2, SDF, SMILES, flexibase
1.15,4.06,-33.52,0,5,-1, 162.128, 1
lo: mol2, SDF, SMILES, flexibase
1.15,4.76,-43.57,2,5,1, 164.144, 1
72322192
 
#29

ProVence Building Blocks: AZA0001
Individual Suppliers: UNNAMED00000001
ref: mol2, SDF, SMILES, flexibase
4.75,14.91,-16.25,0,5,0, 391.43, 3
72322193
 
#30

ProVence Building Blocks: AZA0002
Individual Suppliers: UNNAMED00000002
ref: mol2, SDF, SMILES, flexibase
3.98,12.27,-14.55,0,4,0, 329.403, 2
72322194
 
#31

ProVence Building Blocks: AZA0003
Individual Suppliers: UNNAMED00000003
ref: mol2, SDF, SMILES, flexibase
5.80,15.06,-11.97,0,4,0, 411.549, 3
72322195
 
#32

ProVence Building Blocks: AZA0004
Individual Suppliers: UNNAMED00000004
ref: mol2, SDF, SMILES, flexibase
5.47,11.86,-10.15,1,3,0, 338.41, 2
72322196
 
#33

ProVence Building Blocks: AZA0005
Individual Suppliers: UNNAMED00000005
ref: mol2, SDF, SMILES, flexibase
6.16,15.7,-10.87,0,4,0, 422.528, 4
72322197
 
#34

ProVence Building Blocks: AZA0006
Individual Suppliers: UNNAMED00000006
ref: mol2, SDF, SMILES, flexibase
5.05,14.18,-11.68,0,4,0, 382.463, 5
72322198
 
#35

ProVence Building Blocks: AZA0007
Individual Suppliers: UNNAMED00000007
ref: mol2, SDF, SMILES, flexibase
6.87,17.9,-17.25,0,4,0, 455.561, 3
72322199
 
#36

ProVence Building Blocks: AZA0008
Individual Suppliers: UNNAMED00000008
ref: mol2, SDF, SMILES, flexibase
4.59,14.15,-12.99,0,4,0, 365.436, 4
72322200
 
#37

ProVence Building Blocks: AZA0009
Individual Suppliers: UNNAMED00000009
ref: mol2, SDF, SMILES, flexibase
5.71,15.57,-14.99,0,4,0, 405.501, 3
72322201
 
#38

ProVence Building Blocks: AZA0010
Individual Suppliers: UNNAMED00000010
ref: mol2, SDF, SMILES, flexibase
5.76,14.87,-17.1,0,5,0, 435.527, 4
72322202
 
#39

ProVence Building Blocks: AZA0011
Individual Suppliers: UNNAMED00000011
ref: mol2, SDF, SMILES, flexibase
5.87,15.64,-14.77,0,4,0, 423.491, 3
72322203
 
#40

ProVence Building Blocks: AZA0012
Individual Suppliers: UNNAMED00000012
ref: mol2, SDF, SMILES, flexibase
5.76,14.87,-16.07,0,5,0, 435.527, 4
72322204
 
#41

ProVence Building Blocks: AZA0013
Individual Suppliers: UNNAMED00000013
ref: mol2, SDF, SMILES, flexibase
5.66,16.28,-16.75,0,7,0, 450.498, 4
72322205
 
#42

ProVence Building Blocks: AZA0014
Individual Suppliers: UNNAMED00000014
ref: mol2, SDF, SMILES, flexibase
5.49,14.81,-15.81,0,4,0, 411.53, 3
72322206
 
#43

ProVence Building Blocks: AZA0016
Individual Suppliers: UNNAMED00000015
ref: mol2, SDF, SMILES, flexibase
4.91,15.27,-14.57,0,5,0, 395.462, 6
72322207
 
#44

ProVence Building Blocks: AZA0017
Individual Suppliers: UNNAMED00000016
ref: mol2, SDF, SMILES, flexibase
4.76,13.11,-14.04,0,4,0, 355.441, 3
72322208
 
#45

ProVence Building Blocks: AZA0018
Individual Suppliers: UNNAMED00000017
ref: mol2, SDF, SMILES, flexibase
4.85,14.77,-18.05,0,5,0, 395.462, 3
72322209
 
#46

ProVence Building Blocks: AZA0019
Individual Suppliers: UNNAMED00000018
ref: mol2, SDF, SMILES, flexibase
4.16,10.79,-19.2,1,5,0, 360.413, 3
72322210
 
#47

ProVence Building Blocks: AZA0020
Individual Suppliers: UNNAMED00000019
ref: mol2, SDF, SMILES, flexibase
4.36,12.7,-13.39,0,4,0, 343.43, 2
72322211
 
#48

ProVence Building Blocks: AZA0021
Individual Suppliers: UNNAMED00000020
ref: mol2, SDF, SMILES, flexibase
6.29,16.69,-13.22,0,5,0, 444.49, 4
72322212
 
#49

ProVence Building Blocks: AZA0022
Individual Suppliers: UNNAMED00000021
ref: mol2, SDF, SMILES, flexibase
5.26,13.03,-11,0,4,0, 414.427, 4
72322213
 
#50

ProVence Building Blocks: AZA0023
Individual Suppliers: UNNAMED00000022
ref: mol2, SDF, SMILES, flexibase
5.85,15.72,-18.85,0,4,0, 422.528, 4
72322214
 
#51

ChemMol: 96711243
ProVence Building Blocks: AZA0024
Individual Suppliers: UNNAMED00000023
PubChem: 49758950
ref: mol2, SDF, SMILES, flexibase
4.60,13.66,-10.02,0,5,0, 384.435, 6
72322215
 
#52

ProVence Building Blocks: AZA0025
Individual Suppliers: UNNAMED00000024
ref: mol2, SDF, SMILES, flexibase
4.44,12.05,-10.92,0,4,0, 346.43, 3
72322216
 
#53

ProVence Building Blocks: AZA0026
Individual Suppliers: UNNAMED00000025
PubChem: 55267736
SureChEMBL: SCHEMBL4407862
ref: mol2, SDF, SMILES, flexibase
1.40,3.02,-8.96,1,3,0, 160.176, 1
mid: mol2, SDF, SMILES, flexibase
1.40,3.42,-36.4,2,3,1, 161.184, 1
72322217
 
#54

ProVence Building Blocks: AZA0027
Individual Suppliers: UNNAMED00000026
ref: mol2, SDF, SMILES, flexibase
6.74,15.75,-10.02,0,4,0, 416.565, 7
72322218
 
#55

ProVence Building Blocks: AZA0028
Individual Suppliers: UNNAMED00000027
ref: mol2, SDF, SMILES, flexibase
2.77,6.67,-10.71,1,4,0, 256.305, 1
72322219
 
#56

ProVence Building Blocks: AZA0029
Individual Suppliers: UNNAMED00000028
ref: mol2, SDF, SMILES, flexibase
6.02,15.55,-8.76,0,4,0, 405.501, 3
72322220
 
#57

ProVence Building Blocks: AZA0030
Individual Suppliers: UNNAMED00000029
ref: mol2, SDF, SMILES, flexibase
7.32,17.86,-12.33,0,4,0, 472.588, 4
72322221
 
#58

ProVence Building Blocks: AZA0031
Individual Suppliers: UNNAMED00000030
ref: mol2, SDF, SMILES, flexibase
3.06,9.6,-10.48,0,3,0, 250.301, 3
72322222
 
#59

ProVence Building Blocks: AZA0032
Individual Suppliers: UNNAMED00000031
ref: mol2, SDF, SMILES, flexibase
4.50,10.27,-11.46,1,4,0, 332.403, 2
72322223
 
#60

ProVence Building Blocks: AZA0033
Individual Suppliers: UNNAMED00000032
ref: mol2, SDF, SMILES, flexibase
5.20,14.92,-12.43,0,5,0, 408.457, 4
72322224
 
#61

ProVence Building Blocks: AZA0034
Individual Suppliers: UNNAMED00000033
ref: mol2, SDF, SMILES, flexibase
6.04,15.38,-12.92,1,5,0, 459.549, 6
72322225
 
#62

ProVence Building Blocks: AZA0035
Individual Suppliers: UNNAMED00000034
ref: mol2, SDF, SMILES, flexibase
4.04,10.03,-14.86,1,4,0, 315.376, 1
72322226
 
#63

ProVence Building Blocks: AZA0036
Individual Suppliers: UNNAMED00000035
ref: mol2, SDF, SMILES, flexibase
3.83,9.27,-15.62,1,4,0, 321.405, 1
72322227
 
#64

ProVence Building Blocks: AZA0037
Individual Suppliers: UNNAMED00000036
ref: mol2, SDF, SMILES, flexibase
4.62,10.23,-12.22,1,4,0, 309.413, 4
72322228
 
#65

ProVence Building Blocks: AZA0038
Individual Suppliers: UNNAMED00000037
ref: mol2, SDF, SMILES, flexibase
6.39,16.36,-13.11,0,4,0, 428.491, 4
72322229
 
#66

ProVence Building Blocks: AZA0039
Individual Suppliers: UNNAMED00000038
ref: mol2, SDF, SMILES, flexibase
4.50,8.75,-42.96,0,4,-1, 331.395, 2
mid: mol2, SDF, SMILES, flexibase
4.50,9.12,-11.34,1,4,0, 332.403, 2
lo: mol2, SDF, SMILES, flexibase
4.50,9.49,-38.82,2,4,1, 333.411, 2
72322230
 
#67

ProVence Building Blocks: AZA0040
Individual Suppliers: UNNAMED00000039
ref: mol2, SDF, SMILES, flexibase
4.25,8.46,-48.05,1,7,-1, 409.425, 4
mid: mol2, SDF, SMILES, flexibase
3.79,10.39,-10.54,2,7,0, 410.433, 4
72322231
 
#68

ProVence Building Blocks: AZA0041
Individual Suppliers: UNNAMED00000040
ref: mol2, SDF, SMILES, flexibase
3.43,10.46,-13.04,0,3,0, 301.271, 3
72322232
 
#69

ProVence Building Blocks: AZA0042
Individual Suppliers: UNNAMED00000041
ref: mol2, SDF, SMILES, flexibase
3.57,10.9,-10.96,0,3,0, 301.271, 3
72322233
 
#70

ProVence Building Blocks: AZA0043
Individual Suppliers: UNNAMED00000042
ref: mol2, SDF, SMILES, flexibase
7.33,15.7,-11.25,0,3,0, 430.551, 3
lo: mol2, SDF, SMILES, flexibase
7.33,16.07,-29.95,1,3,1, 431.559, 3
72322234
 
#71

ProVence Building Blocks: AZA0044
Individual Suppliers: UNNAMED00000043
ref: mol2, SDF, SMILES, flexibase
5.66,15.01,-10.08,0,3,0, 366.464, 4
72322235
 
#72

ProVence Building Blocks: AZA0045
Individual Suppliers: UNNAMED00000044
ref: mol2, SDF, SMILES, flexibase
5.58,11.92,-15.66,1,6,0, 385.423, 2
72322236
 
#73

ProVence Building Blocks: AZA0046
Individual Suppliers: UNNAMED00000045
ref: mol2, SDF, SMILES, flexibase
7.00,16.49,-10.06,0,4,0, 446.55, 6
72322237
 
#74

ChemMol: 96711242
ProVence Building Blocks: AZA0047
Individual Suppliers: UNNAMED00000046
PubChem: 49759001
ref: mol2, SDF, SMILES, flexibase
6.72,16.52,-8.94,0,3,0, 402.497, 5
72322238
 
#75

ProVence Building Blocks: AZA0048
Individual Suppliers: UNNAMED00000047
ref: mol2, SDF, SMILES, flexibase
8.29,18.01,-14.02,0,5,0, 530.668, 7
72322239
 
#76

ProVence Building Blocks: AZA0049
Individual Suppliers: UNNAMED00000048
ref: mol2, SDF, SMILES, flexibase
8.20,19.38,-11.62,0,3,0, 470.616, 5
72322240
 
#77

ChemMol: 96711244
ProVence Building Blocks: AZA0050
Individual Suppliers: UNNAMED00000049
PubChem: 49759014
ref: mol2, SDF, SMILES, flexibase
6.67,16.77,-10.57,0,3,0, 402.497, 5
72322241
 
#78

ProVence Building Blocks: AZA0051
Individual Suppliers: UNNAMED00000050, UNNAMED00000272
ref: mol2, SDF, SMILES, flexibase
4.55,13.19,-11.16,0,3,0, 309.372, 3
72322242
 
#79

ProVence Building Blocks: AZA0052
Individual Suppliers: UNNAMED00000051
ref: mol2, SDF, SMILES, flexibase
5.87,17.08,-17.57,0,6,0, 477.564, 6
72322243
 
#80

ProVence Building Blocks: AZA0053
ref: mol2, SDF, SMILES, flexibase
4.74,10.68,-8.61,1,3,0, 304.393, 2
72322244
 
#81

ProVence Building Blocks: AZA0053
Individual Suppliers: UNNAMED00000052
ref: mol2, SDF, SMILES, flexibase
4.74,10.71,-8.6,1,3,0, 304.393, 2
72322245
 
#82

ProVence Building Blocks: AZA0054
Individual Suppliers: UNNAMED00000053
ref: mol2, SDF, SMILES, flexibase
4.77,12.03,-19.49,2,5,0, 423.516, 4
72322246
 
#83

ProVence Building Blocks: AZA0055
Individual Suppliers: UNNAMED00000054
ref: mol2, SDF, SMILES, flexibase
4.14,12,-14.13,1,7,0, 439.471, 5
72322247
 
#84

ChemMol: 96711245
ProVence Building Blocks: AZA0056
Individual Suppliers: UNNAMED00000055
PubChem: 49759039
ref: mol2, SDF, SMILES, flexibase
5.01,11.41,-9.65,1,3,0, 312.372, 3
72322248
 
#85

ProVence Building Blocks: AZA0057
Individual Suppliers: UNNAMED00000056
ref: mol2, SDF, SMILES, flexibase
6.03,15.41,-11.8,0,5,0, 449.554, 3
72322249
 
#86

ProVence Building Blocks: AZA0058
Individual Suppliers: UNNAMED00000057
ref: mol2, SDF, SMILES, flexibase
2.73,9.27,-53,0,4,-1, 243.286, 2
72322250
 
#87

ProVence Building Blocks: AZA0059
Individual Suppliers: UNNAMED00000058
ref: mol2, SDF, SMILES, flexibase
6.06,14.62,-10.19,0,5,0, 452.554, 4
72322251
 
#88

ProVence Building Blocks: AZA0060
Individual Suppliers: UNNAMED00000059
ref: mol2, SDF, SMILES, flexibase
5.46,13.09,-49.51,3,5,1, 454.594, 4
hi: mol2, SDF, SMILES, flexibase
5.46,12.71,-9.24,2,5,0, 453.586, 4
72322252
 
#89

ProVence Building Blocks: AZA0061
Individual Suppliers: UNNAMED00000060
ref: mol2, SDF, SMILES, flexibase
3.97,10.32,-17.4,1,6,0, 356.422, 6
72322253
 
#90

ProVence Building Blocks: AZA0062
Individual Suppliers: UNNAMED00000061
ref: mol2, SDF, SMILES, flexibase
0.90,3.13,-11.12,1,5,0, 205.217, 2
mid: mol2, SDF, SMILES, flexibase
0.90,3.58,-35.31,2,5,1, 206.225, 2
72322254
 
#91

ProVence Building Blocks: AZA0063
Individual Suppliers: UNNAMED00000062
ref: mol2, SDF, SMILES, flexibase
1.52,4.73,-8.05,1,6,0, 248.238, 5
lo: mol2, SDF, SMILES, flexibase
1.52,5.16,-35.73,2,6,1, 249.246, 5
72322255
 
#92

ProVence Building Blocks: AZA0064
Individual Suppliers: UNNAMED00000063
ref: mol2, SDF, SMILES, flexibase
1.26,4.67,-42.09,1,6,-1, 233.203, 4
lo: mol2, SDF, SMILES, flexibase
1.26,5.1,-45.45,2,6,0, 234.211, 4
72322256
 
#93

ProVence Building Blocks: AZA0065
Individual Suppliers: UNNAMED00000064
ref: mol2, SDF, SMILES, flexibase
2.11,1.88,-9.44,2,6,0, 233.227, 4
lo: mol2, SDF, SMILES, flexibase
2.11,2.31,-34.99,3,6,1, 234.235, 4
72322257
 
#94

ProVence Building Blocks: AZA0066
Individual Suppliers: UNNAMED00000066
ref: mol2, SDF, SMILES, flexibase
0.51,0.92,-11.92,3,6,0, 233.227, 4
lo: mol2, SDF, SMILES, flexibase
0.51,1.35,-37.83,4,6,1, 234.235, 4
72322258
 
#95

ProVence Building Blocks: AZA0067
Individual Suppliers: UNNAMED00000067
ref: mol2, SDF, SMILES, flexibase
1.89,7.7,-23.72,1,4,0, 229.283, 1
72322259
 
#96

ProVence Building Blocks: AZA0068
Individual Suppliers: UNNAMED00000068
ref: mol2, SDF, SMILES, flexibase
1.24,1.54,-12.94,3,6,0, 312.123, 4
hi: mol2, SDF, SMILES, flexibase
1.24,1.06,-33.45,2,6,-1, 311.115, 4
72322260
 
#97

ProVence Building Blocks: AZA0069
Individual Suppliers: UNNAMED00000069
ref: mol2, SDF, SMILES, flexibase
1.08,4.68,-9.36,1,7,0, 277.28, 5
lo: mol2, SDF, SMILES, flexibase
1.08,5.12,-35.31,2,7,1, 278.288, 5
72322261
 
#98

ProVence Building Blocks: AZA0070
Individual Suppliers: UNNAMED00000070
ref: mol2, SDF, SMILES, flexibase
2.61,9.22,-23.35,1,4,0, 255.321, 1
72322262
 
#99

ProVence Building Blocks: AZA0071
Individual Suppliers: UNNAMED00000071
ref: mol2, SDF, SMILES, flexibase
1.48,3.36,-38.35,0,5,-1, 217.204, 4
mid: mol2, SDF, SMILES, flexibase
1.48,3.78,-11.74,1,5,0, 218.212, 4
lo: mol2, SDF, SMILES, flexibase
1.48,4.21,-36.16,2,5,1, 219.22, 4
72322263
 
#100

ProVence Building Blocks: AZA0072
Individual Suppliers: UNNAMED00000072
ref: mol2, SDF, SMILES, flexibase
2.00,3.64,-47.9,2,9,-1, 401.424, 7
mid: mol2, SDF, SMILES, flexibase
2.00,3.38,-18.01,3,9,0, 402.432, 7
lo: mol2, SDF, SMILES, flexibase
2.00,3.8,-47.06,4,9,1, 403.44, 7

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 = 636 ) limit 0,100

Smiles were