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39961388
 
#1

ChemMol: 96707359
A&J Pharmtech: AJ-01803
Adesis: 8-140
AK Scientific: 2626AD
Aldrich CPR: ADE001274|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
0.31,1.2,-6.08,1,4,0, 161.164, 0
lo: mol2, SDF, SMILES, flexibase
0.31,1.67,-37.6,2,4,1, 162.172, 0
39961386
 
#2

ChemMol: 96707358
A&J Pharmtech: AJ-01767
Adesis: 8-138
AK Scientific: 2666AD
Aldrich CPR: ADE001272|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
3.19,3.17,-10.82,0,4,0, 299.168, 1
39961376
 
#3

ChemMol: 96707357
Adesis: 5-213
AK Scientific: 2605AD
Aldrich CPR: ADE001205|ALDRICH
Chembo Pharma: KB-246985...13 total

ref: mol2, SDF, SMILES, flexibase
3.20,5.28,-7.16,0,4,0, 338.104, 2
lo: mol2, SDF, SMILES, flexibase
3.20,5.75,-38.71,1,4,1, 339.112, 2
39961375
 
#4

ChemMol: 96707356
Adesis: 5-212
AK Scientific: 2597AD
Aldrich CPR: ADE001204|ALDRICH
Chembo Pharma: KB-246984...13 total

ref: mol2, SDF, SMILES, flexibase
3.40,4.49,-9.49,0,4,0, 338.104, 2
39961369
 
#5

ChemMol: 96707355
Adesis: 5-133
AK Scientific: 2610AD
Aldrich CPR: ADE001153|ALDRICH
Combi-Blocks: ST-6155...12 total

ref: mol2, SDF, SMILES, flexibase
0.91,1.83,-10.4,1,3,0, 173.171, 0
39961367
 
#6

ChemMol: 96707354
A&J Pharmtech: AJ-01837
Adesis: 4-365
AK Scientific: 2477AD
AKOS: AKOS015842100...15 total

ref: mol2, SDF, SMILES, flexibase
1.84,6.47,-21.58,0,4,0, 216.24, 1
39961347
 
#7

ChemMol: 96707347
A&J Pharmtech: AJ-01790
Adesis: 2-993
AK Scientific: 2637AD
Aldrich CPR: ADE000825|ALDRICH...15 total

ref: mol2, SDF, SMILES, flexibase
2.72,6.07,-5.89,0,3,0, 218.3, 4
39961346
 
#8

ChemMol: 96707346
A&J Pharmtech: AJ-01789
Adesis: 2-992
AK Scientific: 2615AD
Aldrich CPR: ADE000824|ALDRICH...13 total

ref: mol2, SDF, SMILES, flexibase
4.09,7.47,-4.36,0,2,0, 417.991, 1
39961345
 
#9

ChemMol: 96707345
A&J Pharmtech: AJ-01788
Adesis: 2-991
AK Scientific: 2641AD
Aldrich CPR: ADE000823|ALDRICH...15 total

ref: mol2, SDF, SMILES, flexibase
3.82,7.02,-4.41,0,2,0, 370.991, 1
39961344
 
#10

ChemMol: 96707342
Adesis: 2-986
AK Scientific: 2633AD
Aldrich CPR: ADE000820|ALDRICH
Chembo Pharma: KB-231217...13 total

ref: mol2, SDF, SMILES, flexibase
1.68,3.85,-7.07,0,4,0, 206.245, 3
39961343
 
#11

ChemMol: 96707341
Adesis: 2-985
AK Scientific: 2688AD, 2687AD
Aldrich CPR: ADE000819|ALDRICH
American Custom Chemicals Corp.: HCH0038225...14 total

ref: mol2, SDF, SMILES, flexibase
2.42,3.39,-11.41,1,4,0, 209.224, 2
39961342
 
#12

ChemMol: 96707340
Adesis: 2-984
AK Scientific: 2614AD
Aldrich CPR: ADE000818|ALDRICH
Chembo Pharma: KB-230664...13 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.82,-8.84,0,3,0, 191.209, 1
39961341
 
#13

ChemMol: 96707338
Adesis: 2-982
AK Scientific: 2671AD
Aldrich CPR: ADE000816|ALDRICH
Chembo Pharma: KB-235496...15 total

ref: mol2, SDF, SMILES, flexibase
3.69,6.94,-4.42,0,2,0, 326.54, 1
39961340
 
#14

ChemMol: 96707337
Adesis: 2-981
AK Scientific: 2679AD
Aldrich CPR: ADE000815|ALDRICH
Combi-Blocks: ST-1230...12 total

ref: mol2, SDF, SMILES, flexibase
1.72,5.06,-6.99,0,3,0, 197.621, 3
39961339
 
#15

ChemMol: 96707336
Adesis: 2-978
AK Scientific: 2628AD
Aldrich CPR: ADE000814|ALDRICH
Chembo Pharma: KB-206103...13 total

ref: mol2, SDF, SMILES, flexibase
1.34,2.89,-7.22,1,3,0, 196.225, 2
lo: mol2, SDF, SMILES, flexibase
1.34,3.34,-23.9,2,3,1, 197.233, 2
39961338
 
#16

ChemMol: 51503822, 96707335
A&J Pharmtech: AJ-01823
Adesis: 2-974
AK Scientific: V8241
AKOS: AKOS015850046...29 total

ref: mol2, SDF, SMILES, flexibase
2.28,4.84,-9.88,1,5,0, 256.689, 4
39961337
 
#17

ChemMol: 96707333
Adesis: 2-972
AK Scientific: 2613AD
Aldrich CPR: ADE000810|ALDRICH
Chembo Pharma: KB-260373...13 total

ref: mol2, SDF, SMILES, flexibase
2.64,5.55,-8.34,0,5,0, 292.379, 4

Similar to: 39961336,
39961336
 
#18

ChemMol: 96707333
A&J Pharmtech: AJ-01821
Adesis: 2-972
AK Scientific: 2613AD
Aldrich CPR: ADE000810|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
2.64,5.56,-9.02,0,5,0, 292.379, 4

Similar to: 39961337,
39961335
 
#19

ChemMol: 96707332
Adesis: 2-971
AK Scientific: 2624AD
Aldrich CPR: ADE000809|ALDRICH
Chembo Pharma: KB-232398...14 total

ref: mol2, SDF, SMILES, flexibase
3.01,6.01,-5.07,0,3,0, 282.387, 4
mid: mol2, SDF, SMILES, flexibase
3.01,8.35,-40.54,1,3,1, 283.395, 4

Similar to: 39961334,
39961334
 
#20

ChemMol: 96707332
A&J Pharmtech: AJ-01820
Adesis: 2-971
AK Scientific: 2624AD
Aldrich CPR: ADE000809|ALDRICH...15 total

ref: mol2, SDF, SMILES, flexibase
3.01,6,-4.8,0,3,0, 282.387, 4
mid: mol2, SDF, SMILES, flexibase
3.01,8.46,-41.1,1,3,1, 283.395, 4

Similar to: 39961335,
39961333
 
#21

ChemMol: 96707331
Adesis: 2-970
AK Scientific: 2608AD
Aldrich CPR: ADE000808|ALDRICH
Chembo Pharma: KB-260347...13 total

ref: mol2, SDF, SMILES, flexibase
4.54,9.26,-10.54,0,6,0, 473.355, 6

Similar to: 39961332,
39961332
 
#22

ChemMol: 96707331
A&J Pharmtech: AJ-01819
Adesis: 2-970
AK Scientific: 2608AD
Aldrich CPR: ADE000808|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
4.54,9.26,-10.33,0,6,0, 473.355, 6

Similar to: 39961333,
39961331
 
#23

ChemMol: 96707330
A&J Pharmtech: AJ-01818
Adesis: 2-969
AK Scientific: 2686AD
Aldrich CPR: ADE000807|ALDRICH...12 total

ref: mol2, SDF, SMILES, flexibase
3.94,4.87,-13.61,1,4,0, 307.147, 4
ref: mol2, SDF, SMILES, flexibase
3.94,4.34,-12.57,1,4,0, 307.147, 4
39961330
 
#24

ChemMol: 96707328
A&J Pharmtech: AJ-01812
Adesis: 2-966
AK Scientific: V5976
Aldrich CPR: ADE000805|ALDRICH...17 total

ref: mol2, SDF, SMILES, flexibase
4.88,7.5,-6.77,0,2,0, 390.018, 3
39961329
 
#25

ChemMol: 96707327
A&J Pharmtech: AJ-01811
Adesis: 2-964
AK Scientific: 2629AD
Chembo Pharma: KB-236357...16 total

ref: mol2, SDF, SMILES, flexibase
2.98,5.16,-5.21,0,3,0, 304.131, 2
39961328
 
#26

ChemMol: 96707326
Adesis: 2-962
AK Scientific: 2659AD
Aldrich CPR: ADE000803|ALDRICH
Combi-Blocks: ST-0899...12 total

ref: mol2, SDF, SMILES, flexibase
1.52,2.73,-8.47,1,3,0, 196.225, 2
lo: mol2, SDF, SMILES, flexibase
1.52,3.1,-27.37,2,3,1, 197.233, 2

Similar to: 39961327,
39961327
 
#27

ChemMol: 96707326
Adesis: 2-962
AK Scientific: 2659AD
Aldrich CPR: ADE000803|ALDRICH
Combi-Blocks: ST-0899...12 total

ref: mol2, SDF, SMILES, flexibase
1.52,2.71,-8.91,1,3,0, 196.225, 2
lo: mol2, SDF, SMILES, flexibase
1.52,3.17,-27.36,2,3,1, 197.233, 2

Similar to: 39961328,
15022026
 
#28

ChemMol: 2100816, 30116709, 44032946, 97300874
AK Scientific: 9335AA
AKOS: AKOS005146136
Alfa-Aesar: H52794
Anward: ANW-57853...39 total

ref: mol2, SDF, SMILES, flexibase
1.43,3.67,-9.32,0,4,0, 185.223, 3

Similar to: 34950910, 36372661,
39961326
 
#29

ChemMol: 96707324
Adesis: 2-960
AK Scientific: 2611AD
Aldrich CPR: ADE000801|ALDRICH
Combi-Blocks: ST-5931...12 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.9,-13.95,1,5,0, 283.711, 4
39961325
 
#30

ChemMol: 96707322
Adesis: 2-956
AK Scientific: 2600AD
Aldrich CPR: ADE000799|ALDRICH
Chembo Pharma: KB-260310...13 total

ref: mol2, SDF, SMILES, flexibase
2.89,5.71,-6.79,1,5,0, 281.331, 4
39961324
 
#31

ChemMol: 96707321
Adesis: 2-955
Aldrich CPR: ADE000798|ALDRICH
Combi-Blocks: ST-6825
Matrix Scientific: 055582...9 total

ref: mol2, SDF, SMILES, flexibase
3.13,9.58,-14.23,0,7,0, 393.459, 6
lo: mol2, SDF, SMILES, flexibase
3.13,10.03,-32.45,1,7,1, 394.467, 6
39961322
 
#32

ChemMol: 96707320
Adesis: 2-953
AK Scientific: 2658AD
Aldrich CPR: ADE000796|ALDRICH
Combi-Blocks: ST-6519...12 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.5,-12.13,0,5,0, 253.277, 3
39961321
 
#33

ChemMol: 96707319
Adesis: 2-952
AK Scientific: 2640AD
Aldrich CPR: ADE000795|ALDRICH
Chembo Pharma: KB-255777...14 total

ref: mol2, SDF, SMILES, flexibase
1.83,6.05,-11.23,0,4,0, 224.235, 3
122452
 
#34

ChemMol: 44032949
eMolecules: 666446
Molport: MolPort-001-818-655
Scientific Exchange (make on demand): F-393908
Acros Organics: 42091...33 total

ref: mol2, SDF, SMILES, flexibase
0.98,-7.26,-15.33,4,4,0, 260.318, 0

Similar to: 32148415, 38591285, 38778722,
55168511
 
#35

ChemMol: 30201372, 44032951
AK Scientific: W9178
AKOS: AKOS015843418
Apexmol Building Blocks: AM20041333
Ark Pharm Building Blocks: AK-59508...22 total

ref: mol2, SDF, SMILES, flexibase
3.99,9.9,-5.64,0,3,0, 295.382, 6

Similar to: 6594728,
72338659
 
#36

ChemMol: 44031265, 44500269
Molport: MolPort-023-219-348
AK Scientific: X9434
AKOS: AKOS015919537
Aldrich CPR: BLN00009|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
1.55,1.87,-6.31,1,3,0, 153.572, 0
79057827
 
#37

ChemMol: 44500274, 44031268
Chembo Pharma: KB-21806
Synblock: MB14152
AKOS BB (make-on-demand): AKOS015891995
Debye Scientific BB (Depleted): DB-050726...7 total

ref: mol2, SDF, SMILES, flexibase
0.71,2.78,-5.59,0,3,0, 183.996, 0
79057806
 
#38

ChemMol: 44500278, 44031272
Chembo Pharma: KB-60829
Fluorochem: 390039
Debye Scientific BB (Depleted): DB-050730
Enamine BB Make on Demand: BBV-45538046...6 total

ref: mol2, SDF, SMILES, flexibase
1.03,5.18,-10.22,0,6,0, 259.302, 5
79057801
 
#39

ChemMol: 44500278, 44031272
Chembo Pharma: KB-60829
Fluorochem: 390039
Debye Scientific BB (Depleted): DB-050730
Enamine BB Make on Demand: BBV-45538046...6 total

ref: mol2, SDF, SMILES, flexibase
1.03,5.15,-10.22,0,6,0, 259.302, 5
38530152
 
#40

ChemMol: 44500279, 44031273
eMolecules: 44454496
AK Scientific: 4892AA, 5296AC
Anward: ANW-59448, ANW-59433
Ark Pharm Building Blocks: AK-37122...28 total

ref: mol2, SDF, SMILES, flexibase
0.85,1.35,-7.24,1,5,0, 231.292, 4

Similar to: 38530151, 36155482,
39952166
 
#41

ChemMol: 97300735, 30201511, 44032953
AK Scientific: W7391
AKOS: AKOS014514233
Angene Building Blocks: AGN-PC-079S6O
Anward: ANW-33960...31 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.02,-10.59,1,4,0, 221.256, 4

Similar to: 39952164,
38530151
 
#42

ChemMol: 44500279, 44031273
eMolecules: 44454496
AK Scientific: 6538AA, 5296AC
Anward: ANW-56513, ANW-59448
Ark Pharm Building Blocks: AK-36844...26 total

ref: mol2, SDF, SMILES, flexibase
0.85,1.32,-7.22,1,5,0, 231.292, 4

Similar to: 38530152, 36155482,
38530154
 
#43

ChemMol: 44500280, 44031274
AK Scientific: 4881AA, 4190AC
Anward: ANW-59787, ANW-59451
Ark Pharm Building Blocks: AK-37123, AK-36716
BePharm Building Blocks: B159961...24 total

ref: mol2, SDF, SMILES, flexibase
1.30,3.73,-9.92,0,5,0, 229.276, 4

Similar to: 38530153, 36155482,
64033818
 
#44

ChemMol: 44032960, 97300733
AK Scientific: 6321AC
Amadis Chemical: A845144
Anward: ANW-57380
Ark Pharm Building Blocks: AK-26466...15 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.14,-9.77,0,2,0, 172.231, 2
44682182
 
#45

ChemMol: 44032959, 97300233
Tractus: TRA0010679
PubChem: 21345781
SureChEMBL: SCHEMBL8271652
AKOS (make-on-demand): AKOS015850953...6 total

ref: mol2, SDF, SMILES, flexibase
-0.63,-1.47,-4.49,0,2,0, 85.106, 0
mid: mol2, SDF, SMILES, flexibase
-0.63,1.96,-40.59,1,2,1, 86.114, 0
54622256
 
#46

ChemMol: 30115253, 1200040, 98002622, 44032961
Molport: MolPort-002-317-179
AKOS: AKOS009151503
Angene Building Blocks: AGN-PC-00N11H
Apexmol Building Blocks: AM85994...33 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.53,-2.47,0,0,0, 267.923, 1
2568262
 
#47

ChemMol: 44032963
Molport: MolPort-020-008-059
AK Scientific: 7713AA
Anward: ANW-68270
Apexmol Building Blocks: AM84493...22 total

ref: mol2, SDF, SMILES, flexibase
4.77,10.49,-4.09,0,0,0, 206.288, 1
54962359
 
#48

ChemMol: 44032964
Ark Pharm Building Blocks: AK144198
Molport BB: MolPort-006-825-468
AKOS BB (make-on-demand): AKOS015889447
PubChem: 44181800...11 total

ref: mol2, SDF, SMILES, flexibase
2.15,2.61,-4.39,1,1,0, 205.026, 1
1731945
 
#49

ChemMol: 96706072, 44032965
Molport: MolPort-016-578-744
AKOS: AKOS015836084
Anward: ANW-33271
Apexmol Building Blocks: AM20100451...24 total

ref: mol2, SDF, SMILES, flexibase
0.30,-4.43,-9.88,0,2,0, 185.042, 0
167043
 
#50

ChemMol: 1200735, 98001387, 1035809, 2100214, 44032967, 1202271
eMolecules: 884141
Acros Organics: TL00223
AK Scientific: X8096
Aldrich CPR: CDS003030|ALDRICH...55 total

ref: mol2, SDF, SMILES, flexibase
3.79,1,-1.82,0,0,0, 256.445, 0
21994761
 
#51

ChemMol: 44032969
AK Scientific: 5830AA
Anward: ANW-72034
Ark Pharm Building Blocks: AK-57628
BePharm Building Blocks: B88754...15 total

ref: mol2, SDF, SMILES, flexibase
0.89,4.55,-7.04,0,3,0, 156.181, 2

Similar to: 34437478, 34456549, 39119844, 39249182, 39249183, ... 10 in total.
21994759
 
#52

ChemMol: 44032969
AK Scientific: 5830AA
Anward: ANW-72034
Ark Pharm Building Blocks: AK-57628
BePharm Building Blocks: B88754...16 total

ref: mol2, SDF, SMILES, flexibase
0.89,4.55,-7.04,0,3,0, 156.181, 2

Similar to: 34456549, 39119844, 39249182, 39249183, 39647952, ... 9 in total.
344482
 
#53

ChemMol: 30201729, 44032968, 30106108
Apexmol Building Blocks: AM20040941
APIChem: AC-5024
Ark Pharm Building Blocks: AK130427
Boerchem Pharmatech BB: BC212097...21 total

ref: mol2, SDF, SMILES, flexibase
1.59,4.12,-9.6,0,3,0, 176.171, 0

Similar to: 38293015, 38293016, 39238158, 39238159, ... 4 in total.
35269945
 
#54

ChemMol: 44032971, 96712035
AK Scientific: W9668
AKOS: AKOS015835546
Angene Building Blocks: AGN-PC-079H3E
Anward: ANW-46149...25 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.82,-6.41,1,4,0, 269.098, 3
ref: mol2, SDF, SMILES, flexibase
2.02,5.69,-8.38,0,4,0, 269.098, 3
6744103
 
#55

ChemMol: 44032972
Molport: MolPort-002-506-464
AK Scientific: V3840
Angene Building Blocks: AGN-PC-0156G1
Anward: ANW-61136...23 total

ref: mol2, SDF, SMILES, flexibase
2.60,0.81,-7.98,1,4,0, 221.256, 4
4290579
 
#56

ChemMol: 96705750, 44032973
Acorn PharmaTech: ACN-S002741
Acros Organics: MAY00144
AK Scientific: X8433
Alfa-Aesar: H32083...22 total

ref: mol2, SDF, SMILES, flexibase
0.93,0.49,-5.32,1,1,0, 108.087, 1

Similar to: 34347228, 34347229, 4290578,
4290578
 
#57

ChemMol: 96705750, 44032973
Acorn PharmaTech: ACN-S002741
Acros Organics: MAY00144
AK Scientific: X8433
Alfa-Aesar: H32083...23 total

ref: mol2, SDF, SMILES, flexibase
0.93,0.49,-5.33,1,1,0, 108.087, 1

Similar to: 4290579, 34347228, 34347229,
32207312
 
#58

ChemMol: 44032980
Ark Pharm Building Blocks: AK141620
PubChem: 597637
SureChEMBL: SCHEMBL5785042
ref: mol2, SDF, SMILES, flexibase
3.88,9.77,-7.1,0,3,0, 295.382, 6
mid: mol2, SDF, SMILES, flexibase
3.88,12.03,-36.88,1,3,1, 296.39, 6

Similar to: 1722215, 4982857, 32207047, 32207051, 32207056, ... 6 in total.
32207308
 
#59

ChemMol: 44032980
Ark Pharm Building Blocks: AK141620
PubChem: 597637
SureChEMBL: SCHEMBL5785042
ref: mol2, SDF, SMILES, flexibase
3.88,9.86,-7.23,0,3,0, 295.382, 6
mid: mol2, SDF, SMILES, flexibase
3.88,12.04,-36.88,1,3,1, 296.39, 6

Similar to: 32207312, 1722215, 4982857, 32207047, 32207051, ... 6 in total.
59441681
 
#60

ChemMol: 44032982
Alfa Chemistry (Depleted): ACM92992320
Debye Scientific BB (Depleted): DB-079448
PubChem: 20228404
SureChEMBL: SCHEMBL10808130...5 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.81,-6.96,0,2,0, 262.356, 4
lo: mol2, SDF, SMILES, flexibase
3.10,11.28,-42.72,1,2,1, 263.364, 4
59441680
 
#61

ChemMol: 44032982
Alfa Chemistry (Depleted): ACM92992320
Debye Scientific BB (Depleted): DB-079448
PubChem: 20228404
SureChEMBL: SCHEMBL10808130...5 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.75,-6.89,0,2,0, 262.356, 4
lo: mol2, SDF, SMILES, flexibase
3.10,11.25,-42.81,1,2,1, 263.364, 4
39094254
 
#62

ChemMol: 97300835, 44032998, 97300836, 44032994
eMolecules: 38082696
Molport: MolPort-004-785-613
Chemstep: 52632, 52608
Enamine Building Blocks: EN300-114800...21 total

ref: mol2, SDF, SMILES, flexibase
3.05,2.44,-5.65,1,4,0, 170.212, 3
2243520
 
#63

ChemMol: 97300836, 44032998, 97300843, 44032995
eMolecules: 48543599, 38082696
Molport: MolPort-004-785-613
Ark Pharm Building Blocks: AK-57290
Chemstep: 52614...26 total

ref: mol2, SDF, SMILES, flexibase
3.05,2.39,-6.37,1,4,0, 170.212, 3
39185927
 
#64

ChemMol: 44032999, 44032996
Debye Scientific BB (Depleted): DB-068894, DB-065168
PubChem: 14655215, 10703364
SureChEMBL: SCHEMBL6312473, SCHEMBL6311738
ref: mol2, SDF, SMILES, flexibase
3.46,4.4,-6.95,1,4,0, 204.229, 4
2243521
 
#65

ChemMol: 44032999, 44032997
Ark Pharm Building Blocks: AK136821
Chembo Pharma: KB-05539
Debye Scientific BB (Depleted): DB-013677, DB-068894
PubChem: 14655215...10 total

ref: mol2, SDF, SMILES, flexibase
3.46,4.4,-6.96,1,4,0, 204.229, 4
38530153
 
#66

ChemMol: 44500280, 44031274
AK Scientific: 4886AA, 4190AC
Anward: ANW-59788, ANW-59451
Ark Pharm Building Blocks: AK-37094, AK-36716
BePharm Building Blocks: B159960...23 total

ref: mol2, SDF, SMILES, flexibase
1.30,3.69,-9.16,0,5,0, 229.276, 4

Similar to: 38530154, 36155482,
79057800
 
#67

ChemMol: 44500281, 44031275
Ark Pharm Building Blocks: AK140924
Chembo Pharma: KB-61053
Fluorochem: 337318
Ryan Scientific BB (Depleted): 087-27211...9 total

ref: mol2, SDF, SMILES, flexibase
1.09,3.7,-11.98,1,5,0, 254.33, 2
157246
 
#68

ChemMol: 30116811, 83602648, 97801224, 1035638, 44033009, 96700748
eMolecules: 721463
AK Scientific: Y7794
AKOS: AKOS009127774
Alfa-Aesar: A10834...59 total

ref: mol2, SDF, SMILES, flexibase
4.20,2.27,-4.87,0,1,0, 231.604, 1

Similar to: 34606583, 34612993, 35822919,
270396
 
#69

ChemMol: 44033015, 97300502
eMolecules: 1764348
Molport: MolPort-001-001-817
Scientific Exchange (make on demand): M-237275
Acros Organics: CC75304...35 total

ref: mol2, SDF, SMILES, flexibase
2.73,1.32,-7.55,0,2,0, 238.084, 1

Similar to: 5945220, 5946920, 6286768,
12370488
 
#70

ChemMol: 97803710, 44033022, 96710451, 30115318
eMolecules: 5849885
Acros Organics: CC53210
AK Scientific: Y5503
Aldrich CPR: CVT00060|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
3.51,1.37,-8.44,0,4,0, 297.152, 2
19958076
 
#71

ChemMol: 44033021
eMolecules: 25054922, 853850
Molport: MolPort-000-891-987
AKOS: AKOS015846218
Ark Pharm Building Blocks: AK-33685...37 total

ref: mol2, SDF, SMILES, flexibase
-0.43,2.25,-3.38,2,3,0, 220.316, 4
lo: mol2, SDF, SMILES, flexibase
-0.43,4.51,-35.13,3,3,1, 221.324, 4

Similar to: 36770131, 37115976, 41681546, 41681547, ... 4 in total.
12397755
 
#72

ChemMol: 44033021
eMolecules: 25054922, 853850
Molport: MolPort-000-891-987
AKOS: AKOS015846218
Ark Pharm Building Blocks: AK-33685...36 total

ref: mol2, SDF, SMILES, flexibase
-0.43,2.21,-3.88,2,3,0, 220.316, 4
lo: mol2, SDF, SMILES, flexibase
-0.43,4.82,-121.55,4,3,2, 222.332, 4
lo: mol2, SDF, SMILES, flexibase
-0.43,4.48,-38.49,3,3,1, 221.324, 4

Similar to: 36770131, 37115976, 41681546, 41681547, ... 4 in total.
19339767
 
#73

ChemMol: 44033020
eMolecules: 886469, 1013820
Molport: MolPort-002-137-185
Scientific Exchange Building Blocks: POD_36/0284
Aldrich CPR: S363987|ALDRICH...54 total

ref: mol2, SDF, SMILES, flexibase
1.61,4.23,-7.72,0,3,0, 219.284, 4

Similar to: 32251061,
2555426
 
#74

ChemMol: 44033025
Aldrich CPR: BBO000010|ALDRICH
Ark Pharm Building Blocks: AK-29216
BePharm Building Blocks: B33380
Chembo Pharma: KB-00973...20 total

ref: mol2, SDF, SMILES, flexibase
4.66,9.55,-10.12,0,3,0, 370.252, 4

Similar to: 32224895, 38621917, 39378148,
2149531
 
#75

ChemMol: 30113005, 44033026, 97801037, 96700623
Acorn PharmaTech: ACN-S002059
Acros Organics: 30602
AK Scientific: V2252
Angene Building Blocks: AGN-PC-0KK5YC...43 total

ref: mol2, SDF, SMILES, flexibase
5.05,4.54,-7.63,0,1,0, 299.601, 2

Similar to: 34222512, 34612975, 34612978, 34612987, 34612996, ... 5 in total.
2547890
 
#76

ChemMol: 1203502, 44033029, 97804171
AK Scientific: Y3855
AKOS: AKOS015853868
Anward: ANW-17764
Ark Pharm Building Blocks: AK-28750...29 total

ref: mol2, SDF, SMILES, flexibase
2.43,5.01,-5.15,0,4,0, 294.092, 2
15022021
 
#77

ChemMol: 97804383, 44033035, 30111523, 96701589
eMolecules: 11593879
Molport: MolPort-003-986-489
AK Scientific: R336
Aldrich CPR: BML00217|ALDRICH...51 total

ref: mol2, SDF, SMILES, flexibase
1.55,2.59,-3.92,1,2,0, 208.002, 0
ref: mol2, SDF, SMILES, flexibase
1.55,2.62,-4.35,1,2,0, 208.002, 0
71864376
 
#78

ChemMol: 44033038
Anward: ANW-52849
Ark Pharm Building Blocks: AK-94408
BePharm Building Blocks: B231733
Bide Pharmatech BB: BD231733...10 total

ref: mol2, SDF, SMILES, flexibase
3.53,7.99,-7.51,0,2,0, 308.09, 4
57989254
 
#79

ChemMol: 44033037
AK Scientific: Z0904
AKOS: AKOS015835229
Anward: ANW-38242
Ark Pharm Building Blocks: AK-40336...23 total

ref: mol2, SDF, SMILES, flexibase
4.21,6.78,-2.52,0,0,0, 296.933, 0
71863880
 
#80

ChemMol: 44033041
AK Scientific: 5668AC
AKOS: AKOS015995157
Anward: ANW-52861
Ark Pharm Building Blocks: AK-94387...13 total

ref: mol2, SDF, SMILES, flexibase
3.08,6.8,-9.94,0,1,0, 261.037, 1
39244377
 
#81

ChemMol: 44033045
PubChem: 12539853, 54033688
SureChEMBL: SCHEMBL4243347
ref: mol2, SDF, SMILES, flexibase
-0.48,0.03,-8.86,1,4,0, 131.131, 3
79058292
 
#82

ChemMol: 44033049
ref: mol2, SDF, SMILES, flexibase
3.95,8.64,-13.54,0,4,0, 349.18, 6
79058284
 
#83

ChemMol: 44033050
ref: mol2, SDF, SMILES, flexibase
1.97,7.5,-28.76,1,5,0, 376.125, 3
79058279
 
#84

ChemMol: 44033051
ref: mol2, SDF, SMILES, flexibase
5.53,15.78,-21.72,0,6,0, 469.516, 6
66347802
 
#85

ChemMol: 44033052
AK Scientific: 6123AC
Anward: ANW-72453
Ark Pharm Building Blocks: AK-38366
BePharm Building Blocks: B162991...13 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.63,-10.29,1,3,0, 239.072, 0
hi: mol2, SDF, SMILES, flexibase
2.60,2.59,-41.44,0,3,-1, 238.064, 0
66348027
 
#86

ChemMol: 44033054
Anward: ANW-72460
Ark Pharm Building Blocks: AK-38255
BePharm Building Blocks: B162790
Chembo Pharma: KB-46627...11 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.29,-11.04,3,4,0, 175.191, 0
hi: mol2, SDF, SMILES, flexibase
1.28,0.22,-46.89,2,4,-1, 174.183, 0
49815273
 
#87

ChemMol: 44033055
PubChem: 14534570
SureChEMBL: SCHEMBL61794
SynQuest BB (Depleted: 121801
Ambinter: Amb17339934...5 total

ref: mol2, SDF, SMILES, flexibase
4.14,7.5,-2.21,0,0,0, 213.118, 1
89505
 
#88

ChemMol: 30115425, 83603538, 44033058
eMolecules: 722927
Molport: MolPort-000-002-902
Acros Organics: SPB04498
AK Scientific: 3456AC...48 total

ref: mol2, SDF, SMILES, flexibase
2.92,1.11,-7.2,0,3,0, 234.082, 3

Similar to: 39225821,
39099679
 
#89

ChemMol: 44033060
Ark Pharm Building Blocks: AK-65809
Chembo Pharma: KB-51250
Chemstep: 57249
Tractus: TRA0009218...8 total

ref: mol2, SDF, SMILES, flexibase
1.71,5.89,-8.66,0,4,0, 209.245, 5
lo: mol2, SDF, SMILES, flexibase
1.71,6.3,-37.01,1,4,1, 210.253, 5
67175653
 
#90

ChemMol: 44033059
Chembo Pharma: KB-296547
Tractus: TRA0009203
Alfa Chemistry (Depleted): ACM111953152
Debye Scientific BB (Depleted): DB-060137...6 total

ref: mol2, SDF, SMILES, flexibase
2.68,5.66,-10.01,0,4,0, 243.69, 5
26474936
 
#91

ChemMol: 44033062
Chembo Pharma: KB-38094
Molport BB: MolPort-008-422-456
Debye Scientific BB (Depleted): DB-010135
PubChem: 21904664...8 total

ref: mol2, SDF, SMILES, flexibase
0.56,0.57,-10.66,2,3,0, 170.599, 1

Similar to: 27803,
64033991
 
#92

ChemMol: 44033064
A&J Pharmtech: AJ-02525
Chembo Pharma: KB-39311
Tractus: TRA0014886
Debye Scientific BB (Depleted): DB-010138...6 total

ref: mol2, SDF, SMILES, flexibase
1.91,4.69,-4.81,0,2,0, 244.035, 0
5538877
 
#93

ChemMol: 44033063
Molport: MolPort-019-878-515
A&J Pharmtech: AJ-02524
AK Scientific: 5039AB
Anward: ANW-72123...14 total

ref: mol2, SDF, SMILES, flexibase
1.50,4.16,-5.28,0,2,0, 152.584, 0
79058274
 
#94

ChemMol: 44033066
ref: mol2, SDF, SMILES, flexibase
0.95,4.01,-8.98,0,4,0, 206.245, 4
79057792
 
#95

ChemMol: 44500281, 44031275
Ark Pharm Building Blocks: AK140924
Chembo Pharma: KB-61053
Fluorochem: 337318
Ryan Scientific BB (Depleted): 087-27211...9 total

ref: mol2, SDF, SMILES, flexibase
1.09,3.47,-12.22,1,5,0, 254.33, 2
39961320
 
#96

ChemMol: 96707318
A&J Pharmtech: AJ-01785
Adesis: 2-950
Aldrich CPR: ADE000793|ALDRICH
Chembo Pharma: KB-245175...15 total

ref: mol2, SDF, SMILES, flexibase
3.12,3.64,-2.52,2,2,0, 333.354, 0
39961317
 
#97

ChemMol: 96707317
AK Scientific: 2595AD
Matrix Scientific: 055577
Tractus: TRA0125938
Adesis (Depleted): 2-946...8 total

ref: mol2, SDF, SMILES, flexibase
2.15,3.02,-5.24,0,2,0, 149.193, 2

Similar to: 39050436,
39961308
 
#98

ChemMol: 96707316
A&J Pharmtech: AJ-01797
Adesis: 2-924
AK Scientific: 2647AD
Aldrich CPR: ADE000773|ALDRICH...14 total

ref: mol2, SDF, SMILES, flexibase
1.77,1.5,-5.86,3,3,0, 278.093, 3
mid: mol2, SDF, SMILES, flexibase
1.77,1.98,-31.82,4,3,1, 279.101, 3
79058265
 
#99

ChemMol: 44033067
ref: mol2, SDF, SMILES, flexibase
0.01,1.46,-10.04,2,5,0, 224.26, 5
lo: mol2, SDF, SMILES, flexibase
0.01,0.93,-39.74,3,5,1, 225.268, 5
66348029
 
#100

ChemMol: 44033068
Anward: ANW-72217
Ark Pharm Building Blocks: AK-47774
BePharm Building Blocks: B210424
Chembo Pharma: KB-74031...10 total

ref: mol2, SDF, SMILES, flexibase
0.84,2.56,-11.79,1,3,0, 160.176, 0
lo: mol2, SDF, SMILES, flexibase
0.84,3.02,-31.56,2,3,1, 161.184, 0

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 515 ) limit 0,100

Smiles were