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30108
 
#1

eMolecules: 884542
Molport: MolPort-000-860-807
Scientific Exchange (make on demand): H-047231
AF ChemPharm: 0-36, unknown
AK Scientific: 8201AB...48 total

ref: mol2, SDF, SMILES, flexibase
2.46,-0.36,-7.99,2,2,0, 177.247, 2

Similar to: 1276713, 1845948,
1683294
 
#2

ChemMol: 51500254, 44021677
eMolecules: 3800990
Molport: MolPort-000-860-792
AF ChemPharm: 0-545
AK Scientific: Z2509...49 total

ref: mol2, SDF, SMILES, flexibase
1.34,-2.77,-8.3,2,3,0, 145.165, 0
2386504
 
#3

Molport: MolPort-000-860-825
AF ChemPharm: 0-588
AK Scientific: 8178AC
Apexmol Building Blocks: AM20050632
Apollo Scientific: PC8305...27 total

ref: mol2, SDF, SMILES, flexibase
1.04,0.72,-3.94,2,2,0, 148.087, 0
3163258
 
#4

Molport: MolPort-000-860-806
AF ChemPharm: 1-184
AK Scientific: 0189AF
Chembo Pharma: KB-09568
Key Organics Building Blocks: AS-0010...22 total

ref: mol2, SDF, SMILES, flexibase
1.97,3.93,-4.15,0,2,0, 138.166, 3
8729800
 
#5

Molport: MolPort-000-860-814
AF ChemPharm: 1-373
Ark Pharm Building Blocks: AK-69992
Chembo Pharma: KB-241226
Key Organics Building Blocks: AS-0033...12 total

ref: mol2, SDF, SMILES, flexibase
3.94,0.32,-6.78,1,2,0, 247.603, 1
5377945
 
#6

Molport: MolPort-019-792-180, MolPort-000-860-809
AF ChemPharm: 3-003
AK Scientific: 7356AE
Ark Pharm Building Blocks: AK-69989
Florida Heterocyclic Compounds: 1078...20 total

ref: mol2, SDF, SMILES, flexibase
-4.78,2.05,-29.44,1,2,1, 124.163, 1
17975706
 
#7

eMolecules: 1255740
Molport: MolPort-000-860-815
Scientific Exchange (make on demand): Z-069736
AF ChemPharm: 3-075
AKOS: AKOS000741030...36 total

ref: mol2, SDF, SMILES, flexibase
1.91,7.79,-6.78,0,3,0, 241.29, 2

Similar to: 6219845, 6362069, 7703718, 7703837, ... 4 in total.
17975708
 
#8

eMolecules: 1255740
Molport: MolPort-000-860-815
Scientific Exchange (make on demand): Z-069736
AF ChemPharm: 3-075
AKOS: AKOS000741030...35 total

ref: mol2, SDF, SMILES, flexibase
1.91,7.76,-5.75,0,3,0, 241.29, 2
ref: mol2, SDF, SMILES, flexibase
1.91,7.76,-5.76,0,3,0, 241.29, 2

Similar to: 6219845, 6362069, 7703718, 7703837, ... 4 in total.
1387653
 
#9

Molport: MolPort-000-005-612
Scientific Exchange (make on demand): M-881179
AF ChemPharm: 3-078
AK Scientific: 5161AD
AKOS: AKOS003654109...48 total

ref: mol2, SDF, SMILES, flexibase
2.31,0.95,-8.3,1,2,0, 161.204, 2

Similar to: 32215734, 33840877, 34028088, 35837678, 37007502, ... 5 in total.
12336440
 
#10

Molport: MolPort-000-860-819
AF ChemPharm: SC-1203, 3-079
Ark Pharm Building Blocks: AK-69995
Chembo Pharma: KB-240883
Key Organics Building Blocks: AS-0041...13 total

ref: mol2, SDF, SMILES, flexibase
3.49,-0.47,-9.77,0,4,0, 313.147, 2
2081581
 
#11

eMolecules: 666869
Molport: MolPort-000-860-820
Scientific Exchange (make on demand): R-003375
AF ChemPharm: 3-081
AK Scientific: 9539AD...31 total

ref: mol2, SDF, SMILES, flexibase
3.08,1.53,-6.74,1,4,0, 263.337, 6

Similar to: 33946045, 42363047,
13155047
 
#12

eMolecules: 624714
AF ChemPharm: 3-082
AKOS: AKOS000532166
Aldrich CPR: R373699|ALDRICH
Ark Pharm Building Blocks: AK-69997...34 total

ref: mol2, SDF, SMILES, flexibase
3.00,8.95,-5.42,0,3,0, 269.344, 2
ref: mol2, SDF, SMILES, flexibase
3.00,8.93,-5.43,0,3,0, 269.344, 2
ref: mol2, SDF, SMILES, flexibase
3.00,9.01,-7.04,0,3,0, 269.344, 2

Similar to: 174866, 4844000,
60228
 
#13

eMolecules: 1844947
Molport: MolPort-000-860-821
Scientific Exchange (make on demand): Z-077849
AF ChemPharm: 3-084
AK Scientific: 8533AD...46 total

ref: mol2, SDF, SMILES, flexibase
3.47,0.63,-9.06,1,2,0, 223.275, 3

Similar to: 5338288, 32158957, 34445225,
12336441
 
#14

Molport: MolPort-000-860-822
AF ChemPharm: 3-085
Ark Pharm Building Blocks: AK-69998
Key Organics Building Blocks: AS-0047
KeyOrganics: AS-0047...11 total

ref: mol2, SDF, SMILES, flexibase
5.83,3.6,-13.61,0,5,0, 439.511, 6
1583139
 
#15

AF ChemPharm: 3-086
Ark Pharm Building Blocks: AK-69999
NCI Plated 2007: 156623
Tractus: TRA0121021
ChemDB: 5165502...10 total

ref: mol2, SDF, SMILES, flexibase
3.76,0.56,-11.3,0,5,0, 323.348, 4

Similar to: 5319417, 5800662, 6520043, 31559990, ... 4 in total.
29499
 
#16

eMolecules: 1396211
Molport: MolPort-000-860-824
Scientific Exchange (make on demand): T-087342
AF ChemPharm: 3-087
AKOS: AKOS000383762...35 total

ref: mol2, SDF, SMILES, flexibase
2.22,2.36,-40.37,0,3,-1, 218.685, 2
lo: mol2, SDF, SMILES, flexibase
2.22,2.21,-9.11,1,3,0, 219.693, 2
8729801
 
#17

Molport: MolPort-000-860-827
AF ChemPharm: 3-091
AK Scientific: 5508AE
Chembo Pharma: KB-298619
Key Organics Building Blocks: AS-0057...12 total

ref: mol2, SDF, SMILES, flexibase
3.12,-1.57,-8.48,2,3,0, 317.388, 5
638873
 
#18

Molport: MolPort-000-860-832
AF ChemPharm: 3-097
AK Scientific: 7678AC
Aldrich CPR: S105392|ALDRICH, S13022|ALDRICH
Ark Pharm Building Blocks: AK-56774...18 total

ref: mol2, SDF, SMILES, flexibase
5.03,2.64,-10.63,0,5,0, 362.381, 5

Similar to: 3122036, 32266059,
12336442
 
#19

AF ChemPharm: 3-100
Ark Pharm Building Blocks: AK-70004
Chembo Pharma: KB-257773
Matrix Scientific: 046340
Tractus: TRA0121025...6 total

ref: mol2, SDF, SMILES, flexibase
4.53,4.22,-13.42,0,6,0, 390.391, 6

Similar to: 39259147,
332018
 
#20

Molport: MolPort-000-860-835, MolPort-019-723-913
Scientific Exchange (make on demand): Z-060175
AF ChemPharm: 3-102
Key Organics Building Blocks: AS-0066
KeyOrganics: AS-0066...23 total

ref: mol2, SDF, SMILES, flexibase
2.77,7.9,-8.41,0,2,0, 203.285, 4

Similar to: 582642, 33763837, 39350488,
3029483
 
#21

eMolecules: 4853566
Molport: MolPort-000-860-836
AF ChemPharm: 3-103
AK Scientific: 4201AD
AKOS: AKOS001585495...21 total

ref: mol2, SDF, SMILES, flexibase
3.53,4.18,-7.02,0,4,0, 262.305, 7

Similar to: 4783385, 38247915, 39238499,
12336443
 
#22

AF ChemPharm: 3-104
Ark Pharm Building Blocks: AK-70005
Matrix Scientific: 046343
PubChem: 15371200
ref: mol2, SDF, SMILES, flexibase
2.63,-0.74,-16.47,0,5,0, 291.328, 4
8729805
 
#23

AF ChemPharm: 3-105
PubChem: 18526073
Ambinter: Amb2608632
ref: mol2, SDF, SMILES, flexibase
3.24,2.65,-5.33,0,3,0, 198.262, 5

Similar to: 8729806,
8729806
 
#24

AF ChemPharm: 3-105
PubChem: 18526073
Ambinter: Amb2608632
ref: mol2, SDF, SMILES, flexibase
3.24,2.65,-5.35,0,3,0, 198.262, 5

Similar to: 8729805,
1591495
 
#25

eMolecules: 46447736
Molport: MolPort-000-860-801
AF ChemPharm: 3-109
Mcule: MCULE-9031259584
NCI Plated 2007: 382140...11 total

ref: mol2, SDF, SMILES, flexibase
4.64,2.77,-7.81,0,2,0, 262.308, 3

Similar to: 33790958, 33790959, 33790960, 34399863, 34424734, ... 9 in total.
96688
 
#26

ChemMol: 97800584, 44010887
eMolecules: 504657
Scientific Exchange (make on demand): POD_51/0871
Acorn PharmaTech: ACN-S003146
AF ChemPharm: 3-110...89 total

ref: mol2, SDF, SMILES, flexibase
1.38,5.46,-8.05,0,3,0, 187.198, 2

Similar to: 6251342, 38435548, 39245626,
33802617
 
#27

AF ChemPharm: CP/4V-048, 3-111
ChemDB: 7236290
PubChem: 5251758
ref: mol2, SDF, SMILES, flexibase
5.34,8.86,-3.92,1,1,0, 237.346, 1

Similar to: 34483249, 38337750, 39028286, 39028287, 39238910, ... 8 in total.
160798
 
#28

ChemMol: 44003169, 30103335
eMolecules: 484922
Molport: MolPort-000-860-789
Acros Organics: 17358
ACT Chemical BB: ACT02958...88 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.81,-6.95,0,3,0, 156.181, 3

Similar to: 1561951, 34618556, 34618558, 38218650, 38218651, ... 7 in total.
160796
 
#29

ChemMol: 44003169, 30103335
eMolecules: 484922
Molport: MolPort-000-860-789
Acros Organics: 17358
ACT Chemical BB: ACT02958...84 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.81,-6.96,0,3,0, 156.181, 3

Similar to: 1561951, 34618556, 34618558, 38218650, 38218651, ... 7 in total.
14775799
 
#30

AF ChemPharm: 3-116
PubChem: 44668384
SureChEMBL: SCHEMBL692586
ref: mol2, SDF, SMILES, flexibase
0.60,10.17,-19.82,0,8,0, 324.285, 9

Similar to: 39256989, 44200397, 44200573, 44200851, ... 4 in total.
19093374
 
#31

AF ChemPharm: 3-125
Ark Pharm Building Blocks: AK124893
ChemBridge BuildingBlocks: 4033976
Fluorochem: 311820
Innovapharm Building Blocks: BBS-00017198...19 total

ref: mol2, SDF, SMILES, flexibase
1.11,1.53,-2.75,1,1,0, 100.161, 1

Similar to: 32218183, 34632688, 5923439, 5954485, 5954526, ... 5 in total.
19093377
 
#32

AF ChemPharm: 3-125
Ark Pharm Building Blocks: AK124893
ChemBridge BuildingBlocks: 4033976
Fluorochem: 311820
Innovapharm Building Blocks: BBS-00017198...18 total

ref: mol2, SDF, SMILES, flexibase
1.11,1.52,-2.75,1,1,0, 100.161, 1

Similar to: 32218183, 34632688, 5923439, 5954485, 5954526, ... 5 in total.
5329190
 
#33

eMolecules: 4317739
Molport: MolPort-000-860-810
AF ChemPharm: 7-172
Ark Pharm Building Blocks: AK157694
Chembo Pharma: KB-55317...21 total

ref: mol2, SDF, SMILES, flexibase
1.26,0.73,-5.03,3,3,0, 152.197, 2

Similar to: 39038763, 39277246,
4629581
 
#34

eMolecules: 2578905
Molport: MolPort-000-860-781
AF ChemPharm: 7-173
AKOS: AKOS001684798
Alinda Building Blocks: ALBB-028658...27 total

ref: mol2, SDF, SMILES, flexibase
0.97,1.47,-14.01,1,4,0, 192.218, 2
34216530
 
#35

AF ChemPharm: CP-1002
IBM Patent Data: 136196115
PubChem: 10103970, 53397034
ref: mol2, SDF, SMILES, flexibase
1.98,5.73,-7.12,1,2,0, 189.258, 4

Similar to: 35882121, 38294503,
1599283
 
#36

AF ChemPharm: CP-1015
ChemDB: 5250580
PubChem: 347728
SureChEMBL: SCHEMBL9783640
ref: mol2, SDF, SMILES, flexibase
2.30,-1.86,-19.82,2,4,0, 268.316, 4

Similar to: 25503008,
38271818
 
#37

AF ChemPharm: CP-1019
PubChem: 11117299
ref: mol2, SDF, SMILES, flexibase
2.22,5.26,-11.95,1,3,0, 209.289, 5

Similar to: 38271819,
38271819
 
#38

AF ChemPharm: CP-1019
PubChem: 11117299
ref: mol2, SDF, SMILES, flexibase
2.22,5.25,-8.95,1,3,0, 209.289, 5

Similar to: 38271818,
400151
 
#39

AF ChemPharm: CP-1027
Aldrich CPR: S841404|ALDRICH
Element Store BB: b2star-5335-91-1
NCI Plated 2007: 1000
TimTec: ST50555354...10 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-2.55,-17.56,2,4,0, 144.174, 2
1727548
 
#40

AF ChemPharm: CP-1071
Chemstep: 62299, 36056
Fluorochem: 396595
NCI Plated 2007: 143777
BOC Sciences BB (Depleted): 2142-65-6...13 total

ref: mol2, SDF, SMILES, flexibase
2.83,6.78,-5.78,0,1,0, 162.232, 2
2378552
 
#41

AF ChemPharm: CP-1072
Fluorochem: 023163
Molport BB: MolPort-000-156-686
Oakwood Chemical: 023163
Tractus: TRA0088062...7 total

ref: mol2, SDF, SMILES, flexibase
3.38,4.22,-3.74,0,1,0, 216.202, 3

Similar to: 2579827, 43505068,
13460486
 
#42

AF ChemPharm: CP-1081
IBM Patent Data: 136182538
PubChem: 10911168, 11413414
SureChEMBL: SCHEMBL1548278
ref: mol2, SDF, SMILES, flexibase
3.26,5.06,-5.69,0,2,0, 223.275, 2

Similar to: 34558151, 39128354, 39128356,
13460488
 
#43

AF ChemPharm: CP-1081
IBM Patent Data: 136182538
PubChem: 11413414
SureChEMBL: SCHEMBL1548278
ref: mol2, SDF, SMILES, flexibase
3.26,5.05,-5.67,0,2,0, 223.275, 2

Similar to: 34558151, 39128354, 39128356,
81695
 
#44

eMolecules: 5837605
Molport: MolPort-000-860-632
AF ChemPharm: CP-1122
AK Scientific: HTS000993
Mcule: MCULE-8957729168...13 total

ref: mol2, SDF, SMILES, flexibase
1.58,6.09,-7.31,0,2,0, 225.338, 4

Similar to: 39262819, 39284845,
403361
 
#45

AF ChemPharm: CP-1129
Ark Pharm Building Blocks: AK141967
Element Store BB: b2star-56100-22-2
Labotest: LT03511189
Labotest Building Blocks: LT03511189...14 total

ref: mol2, SDF, SMILES, flexibase
1.50,5.47,-7.41,0,2,0, 170.215, 1
lo: mol2, SDF, SMILES, flexibase
1.50,5.69,-31.76,1,2,1, 171.223, 1

Similar to: 33592574, 34227208, 34481120,
6816505
 
#46

AF ChemPharm: CP-1130
ChemDB: 6690760
PubChem: 23087760, 4613269
SureChEMBL: SCHEMBL1657392, SCHEMBL1880474, SCHEMBL5945873
ref: mol2, SDF, SMILES, flexibase
3.33,8.49,-8.59,0,2,0, 232.286, 2
lo: mol2, SDF, SMILES, flexibase
3.33,8.72,-34.19,1,2,1, 233.294, 2

Similar to: 34347941, 34552835,
20971903
 
#47

AF ChemPharm: CP-1145
AKOS: AKOS004123487
Ark Pharm Building Blocks: AK155180, AK118149
Chembo Pharma: KB-147835
ChemBridge BuildingBlocks: 4088765...25 total

ref: mol2, SDF, SMILES, flexibase
0.50,-0.18,-6.86,2,2,0, 149.193, 0
mid: mol2, SDF, SMILES, flexibase
0.50,1.22,-47.97,3,2,1, 150.201, 0

Similar to: 32090489, 32090493, 36155519, 36155522, 36155531, ... 15 in total.
20971900
 
#48

AF ChemPharm: CP-1145
AKOS: AKOS004123487
Ark Pharm Building Blocks: AK155180, AK118149
Chembo Pharma: KB-147835
ChemBridge BuildingBlocks: 4088765...25 total

ref: mol2, SDF, SMILES, flexibase
0.50,-0.2,-5.93,2,2,0, 149.193, 0
mid: mol2, SDF, SMILES, flexibase
0.50,1.24,-47.9,3,2,1, 150.201, 0

Similar to: 20971903, 32090489, 32090493, 36155519, 36155522, ... 15 in total.
20971911
 
#49

AF ChemPharm: CP-1146
AK Scientific: Y9380
Apollo Scientific: PC8299
Chembo Pharma: KB-191372, KB-297154
Chemstep: 47784...12 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.2,-4.22,1,1,0, 151.184, 0

Similar to: 4348133, 4348134, 20971907,
20971907
 
#50

AF ChemPharm: CP-1146
AK Scientific: Y9380
Apollo Scientific: PC8299
Chembo Pharma: KB-191372, KB-297154
Chemstep: 47784...12 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.24,-5.12,1,1,0, 151.184, 0

Similar to: 20971911, 4348133, 4348134,
33373941
 
#51

AF ChemPharm: CP-1150
Apollo Scientific: PC8298
Chembo Pharma: KB-228427
PubChem: 44668330, 7202580, 2774449, 7202579
SureChEMBL: SCHEMBL3945450...9 total

ref: mol2, SDF, SMILES, flexibase
3.21,8.25,-5.28,0,1,0, 241.309, 2

Similar to: 4348087,
33373942
 
#52

AF ChemPharm: CP-1150
Apollo Scientific: PC8298
Chembo Pharma: KB-228427
PubChem: 44668330, 7009957, 2774449, 7009956
SureChEMBL: SCHEMBL3945450...9 total

ref: mol2, SDF, SMILES, flexibase
3.21,8.22,-4.03,0,1,0, 241.309, 2

Similar to: 4348087,
2386492
 
#53

ChemMol: 97801823, 30113018
Molport: MolPort-000-860-670
AF ChemPharm: CP-1153
AK Scientific: V5842
Angene Building Blocks: AGN-PC-0RQ0TK...37 total

ref: mol2, SDF, SMILES, flexibase
3.32,4.29,-36.99,0,3,-1, 242.176, 2
mid: mol2, SDF, SMILES, flexibase
2.02,4.71,-9.03,1,3,0, 243.184, 2

Similar to: 32255569, 32266387,
2531033
 
#54

ChemMol: 97801213, 30112998
Molport: MolPort-000-860-671
AF ChemPharm: CP-1154
AK Scientific: 5648AB
APIChem: AC-7393...23 total

ref: mol2, SDF, SMILES, flexibase
4.21,2.31,-7.35,0,2,0, 261.63, 2
2000919
 
#55

ChemMol: 97900016, 97900093
Molport: MolPort-000-860-686, MolPort-003-983-800
Active BioPharma: 169, 53
AF ChemPharm: CP-1162
AK Scientific: X5034...100 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.44,-11.23,1,4,0, 275.348, 4

Similar to: 3952678, 3964432, 34041422, 34041423, 34042492, ... 19 in total.
4982
 
#56

ChemMol: 97900016, 30114515, 97900092
Molport: MolPort-000-860-686
Active BioPharma: 53, 168
AF ChemPharm: CP-1162
AK Scientific: P623...114 total

ref: mol2, SDF, SMILES, flexibase
2.67,5.43,-11.26,1,4,0, 275.348, 4

Similar to: 22479, 2000919, 3952678, 60067825, 60067826, ... 5 in total.
102698
 
#57

ChemMol: 1030846, 44011592, 96700113
eMolecules: 483479
Molport: MolPort-000-860-687
AF ChemPharm: CP-1163
AKOS: AKOS000120290...65 total

ref: mol2, SDF, SMILES, flexibase
2.40,1.81,-6.25,0,2,0, 160.172, 1

Similar to: 33791562, 34224608, 34386335, 39253404, 39279639, ... 6 in total.
2386535
 
#58

AF ChemPharm: CP-1169
Apollo Scientific: PC1771
Indofine: 26-4135
TimTec: ST45400973
TimTec Building Blocks: SBB097107...9 total

ref: mol2, SDF, SMILES, flexibase
2.92,5.27,-10.4,0,2,0, 227.185, 2
2386489
 
#59

AF ChemPharm: CP-1171
Apollo Scientific: PC4595
Chembo Pharma: KB-199976
Indofine: 26-2892
TimTec: ST45401127...11 total

ref: mol2, SDF, SMILES, flexibase
4.34,6.04,-29.89,0,2,-1, 260.622, 1
lo: mol2, SDF, SMILES, flexibase
3.04,6.41,-8.55,1,2,0, 261.63, 1
16159566
 
#60

AF ChemPharm: CP-1172
Apollo Scientific: PC8288
Chembo Pharma: KB-197428
Indofine: 26-2891
TimTec: ST45401126...11 total

ref: mol2, SDF, SMILES, flexibase
4.34,6.05,-33.24,0,2,-1, 260.622, 1
lo: mol2, SDF, SMILES, flexibase
4.34,4.67,-28.14,2,2,1, 262.638, 1
lo: mol2, SDF, SMILES, flexibase
3.88,6.41,-12.89,1,2,0, 261.63, 1

Similar to: 32266684,
2386497
 
#61

AF ChemPharm: CP-1178
Apollo Scientific: PC8294
Chembo Pharma: KB-197429
Indofine: 26-2901
TimTec: ST45401178...9 total

ref: mol2, SDF, SMILES, flexibase
4.61,2.89,-6.19,0,2,0, 275.657, 2

Similar to: 32266684,
394471
 
#62

Scientific Exchange Building Blocks: F-332956
AF ChemPharm: CP-1200
AK Scientific: 5750AB
AKOS: AKOS002675823
Aldrich CPR: PH004776|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
-0.18,3.46,-12.77,2,5,0, 183.211, 2

Similar to: 25491929, 34328930,
4797547
 
#63

Molport: MolPort-000-860-693
AF ChemPharm: CP-1201
AK Scientific: 4704AC
Anward: ANW-44509
Ark Pharm Building Blocks: AK-93435...25 total

ref: mol2, SDF, SMILES, flexibase
-0.36,3.8,-18.88,2,7,0, 212.209, 3

Similar to: 25491913, 34520687,
2575251
 
#64

Molport: MolPort-027-564-828
AF ChemPharm: CP-1202
AK Scientific: 5019AE
Ark Pharm Building Blocks: AK165552
BioSynth: W-203000...22 total

ref: mol2, SDF, SMILES, flexibase
-0.77,1.68,-11.11,4,6,0, 198.226, 2

Similar to: 25491913, 34567814,
34448804
 
#65

AF ChemPharm: CP-1212
Anward: ANW-70058
Ark Pharm Building Blocks: AK100634
BePharm Building Blocks: B241569
Bide Pharmatech BB: BD241569...12 total

ref: mol2, SDF, SMILES, flexibase
3.19,5.61,-4.75,1,1,0, 165.623, 0

Similar to: 34450350,
12823212
 
#66

eMolecules: 11468436
Molport: MolPort-000-860-699
AF ChemPharm: CP-2001, SC-1103
Enamine: Z245507060
Mcule: MCULE-4847105779...11 total

ref: mol2, SDF, SMILES, flexibase
2.37,4.72,-10.1,1,3,0, 220.055, 2
159769
 
#67

ChemMol: 44003685, 83600960, 98000121, 1034174, 80101100, 1202383, 30104011
eMolecules: 477680
Scientific Exchange (make on demand): X-089948
Acros Organics: 14636
AF ChemPharm: CP-2002...81 total

ref: mol2, SDF, SMILES, flexibase
2.88,6.26,-7.22,0,1,0, 233.492, 2
8729797
 
#68

AF ChemPharm: SC-10-01, CP-2005
Matrix Scientific: 046299
Tractus: TRA0121010
Ambinter: Amb2608595
ref: mol2, SDF, SMILES, flexibase
1.49,0.13,-6.06,3,4,0, 185.614, 2
389641
 
#69

AF ChemPharm: CP-2007
Apollo Scientific: PC1649
Ark Pharm Building Blocks: AK-60830
Chembo Pharma: KB-16581, KB-97979
Enamine Building Blocks: EN300-175807...19 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.09,-2.56,0,2,0, 176.072, 0
19801114
 
#70

ChemMol: 30115341, 51500900, 44001717, 1033003
Acorn PharmaTech: ACN-S003829
AF ChemPharm: CP-2012
AK Scientific: I214
Aldrich CPR: CDS015075|ALDRICH...43 total

ref: mol2, SDF, SMILES, flexibase
0.50,-0.03,-7.12,2,3,0, 138.17, 2

Similar to: 4086745,
34478188
 
#71

AF ChemPharm: CP-2017
PubChem: 15150473
ref: mol2, SDF, SMILES, flexibase
2.56,5.09,-5.14,0,2,0, 178.231, 1

Similar to: 34604370, 38416467, 39366982, 44227451, 44229807, ... 7 in total.
76035
 
#72

eMolecules: 928065
AF ChemPharm: CP-2019
AK Scientific: 0413AB
AKOS: AKOS003594699
Aldrich CPR: S914487|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
2.86,1.23,-8.5,1,2,0, 191.274, 2

Similar to: 32139856, 39315211,
35856345
 
#73

AF ChemPharm: CP-2025
PubChem: 11580006
SureChEMBL: SCHEMBL9700257
ref: mol2, SDF, SMILES, flexibase
2.44,4.9,-4.74,2,5,0, 280.155, 6
168784
 
#74

Molport: MolPort-000-860-768
Acros Organics: 41471
AF ChemPharm: CP-2028
AK Scientific: 8080AE
AKOS: AKOS002956035...36 total

ref: mol2, SDF, SMILES, flexibase
1.22,3.45,-9.18,1,2,0, 149.193, 2

Similar to: 34639145, 39262943,
169696
 
#75

eMolecules: 45967129
Molport: MolPort-001-575-585
AF ChemPharm: CP-2029, SC-10-02
Alinda: IVK/1268884
Alinda Building Blocks: ALBB-013459...27 total

ref: mol2, SDF, SMILES, flexibase
1.42,1.04,-8.9,1,4,0, 182.154, 3
ref: mol2, SDF, SMILES, flexibase
0.78,0.62,-8.91,2,4,0, 182.154, 2
12350356
 
#76

Molport: MolPort-000-860-720
AF ChemPharm: CP-2030
AKOS: AKOS003617724
Aldrich CPR: R257591|ALDRICH
Key Organics Building Blocks: AS-0022...14 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.26,-12.53,2,7,0, 267.285, 7
lo: mol2, SDF, SMILES, flexibase
1.12,2.55,-45.3,3,7,1, 268.293, 7
3284958
 
#77

eMolecules: 2858725
Molport: MolPort-000-860-722
AF ChemPharm: CP-2032
AK Scientific: I730
Alfa-Aesar: H64999...35 total

ref: mol2, SDF, SMILES, flexibase
3.21,0.84,-7.7,0,1,0, 247.519, 2

Similar to: 39377771, 39377772,
2509748
 
#78

eMolecules: 2858725
Molport: MolPort-000-860-722
AF ChemPharm: CP-2032
AK Scientific: I730
Alfa-Aesar: H64999...35 total

ref: mol2, SDF, SMILES, flexibase
3.21,0.87,-3.89,0,1,0, 247.519, 2

Similar to: 39377771, 39377772,
7610503
 
#79

Scientific Exchange (make on demand): M-897824
AF ChemPharm: CP-2033
Aronis (Make on Request): RESYN/00298
Otava (Virtual): 5449693
TimTec Make-on-Demand: OVS21229499...11 total

ref: mol2, SDF, SMILES, flexibase
3.88,0.59,-6.89,1,3,0, 241.718, 3

Similar to: 2171364, 128049,
157062
 
#80

Amidohydrolase AH-EFI: Thymine, Pyramethanil
ChemMol: 96700072, 30100164, 44015341, 44008598, 1033429
eMolecules: 929924, 532426
Molport: MolPort-001-766-701, MolPort-016-728-797
TCM Database @ Taiwan: 42690...260 total

ref: mol2, SDF, SMILES, flexibase
-0.47,-0.63,-13.07,2,4,0, 126.115, 0

Similar to: 39121233,
2539407
 
#81

ChemMol: 1200343, 98000842
Acros Organics: 24353
AF ChemPharm: CP-2037
AK Scientific: P319
Angene Building Blocks: AGN-PC-0JLZQW...37 total

ref: mol2, SDF, SMILES, flexibase
3.62,1.2,-6.66,0,1,0, 209.459, 1
388037
 
#82

ChemMol: 98000610, 1202424
eMolecules: 490701
AF ChemPharm: CP-2039
AK Scientific: K729
AKOS: AKOS000119158...95 total

ref: mol2, SDF, SMILES, flexibase
2.07,3.47,-2.95,2,1,0, 141.601, 0

Similar to: 25560396, 39133614, 39233622, 39643367, ... 4 in total.
2003300
 
#83

AF ChemPharm: CP-2042
Tetrahedron Building Blocks: TS21189
ChemDB: 7579708
PubChem: 41018
SureChEMBL: SCHEMBL5070887...5 total

ref: mol2, SDF, SMILES, flexibase
3.17,-1.61,-2.8,1,1,0, 211.475, 1
2525561
 
#84

AF ChemPharm: CP-2050
AK Scientific: W6612
Alfa-Aesar: H64651
Angene Building Blocks: AGN-PC-0NIXOL
Anward: ANW-47916...31 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.43,-6.82,0,1,0, 213.074, 2
80838
 
#85

ChemMol: 1036488, 44009663
eMolecules: 917741
Scientific Exchange (make on demand): E-086651
AF ChemPharm: CP-2058
AKOS: AKOS000225688...55 total

ref: mol2, SDF, SMILES, flexibase
0.45,3.26,-8.64,2,3,0, 176.219, 0

Similar to: 34559941, 35036599, 35036601, 38276452, 41699404, ... 5 in total.
13462666
 
#86

AF ChemPharm: CP-2061
Ark Pharm Building Blocks: AK-78003
Chembo Pharma: KB-147540
PubChem: 15458109
SureChEMBL: SCHEMBL6072422...5 total

ref: mol2, SDF, SMILES, flexibase
0.89,2.66,-11.99,1,3,0, 177.203, 0

Similar to: 36448211, 39256038,
2505929
 
#87

ChemMol: 30106085
eMolecules: 721889
Acros Organics: MO00835
AF ChemPharm: CP-2064
Aldrich CPR: CDS017745|ALDRICH...27 total

ref: mol2, SDF, SMILES, flexibase
2.87,-0.03,-6.88,2,2,0, 222.291, 2

Similar to: 5338345, 21812943, 21815634, 32233717, 34959401, ... 9 in total.
1727147
 
#88

Molport: MolPort-000-860-777
AF ChemPharm: CP-2065
Aldrich CPR: VBP00056|ALDRICH
Alfa-Aesar: H57676
Chembo Pharma: KB-11325...22 total

ref: mol2, SDF, SMILES, flexibase
4.61,10.7,-5.8,0,1,0, 286.172, 2

Similar to: 34978307,
2527026
 
#89

ChemMol: 44010491, 30114066
AF ChemPharm: CP-2066
AK Scientific: 9626AA
AKOS: AKOS013153477
Anward: ANW-54542...24 total

ref: mol2, SDF, SMILES, flexibase
3.03,4.77,-9.99,2,4,0, 232.283, 3

Similar to: 39126190,
34453461
 
#90

AF ChemPharm: CP-2067
PubChem: 10775462
SureChEMBL: SCHEMBL2156627
ref: mol2, SDF, SMILES, flexibase
3.32,7.23,-7.77,1,2,0, 223.275, 2

Similar to: 39350806, 15678, 32240220,
34485836
 
#91

AF ChemPharm: CP-2071
AK Scientific: Y2030
Angene Building Blocks: AGN-PC-0STV01
Chembo Pharma: KB-241758
Enamine Building Blocks: EN300-155336...10 total

ref: mol2, SDF, SMILES, flexibase
1.74,4.22,-7.49,0,5,0, 248.71, 2
2018427
 
#92

ChemMol: 1036853, 51500507
AF ChemPharm: CP-2082
AK Scientific: W3586
AKOS: AKOS002320303
Alfa-Aesar: H50362...53 total

ref: mol2, SDF, SMILES, flexibase
1.45,2.42,-4.32,2,2,0, 137.182, 1

Similar to: 32204925, 34226880, 39278976,
2540474
 
#93

AF ChemPharm: CP-2083
AKOS: AKOS009546655
Ark Pharm Building Blocks: AK155530
Chembo Pharma: KB-118739
FineTech: FT-0602688...20 total

ref: mol2, SDF, SMILES, flexibase
3.04,-0.26,-5.1,2,2,0, 213.28, 3

Similar to: 31979713, 32007317, 32007322, 32152636, 34344905, ... 6 in total.
2540475
 
#94

eMolecules: 721893
Acros Organics: MO00837
AF ChemPharm: CP-2084
AK Scientific: 4316AE
Chembo Pharma: KB-196113...19 total

ref: mol2, SDF, SMILES, flexibase
4.19,-0.83,-4.3,2,2,0, 292.176, 3

Similar to: 32152631, 32152636, 32152641,
29753854
 
#95

Molport: MolPort-000-860-753
AF ChemPharm: CP-2086
Ark Pharm Building Blocks: AK-71003
Chembo Pharma: KB-229008
Key Organics Building Blocks: NC-0740...16 total

ref: mol2, SDF, SMILES, flexibase
2.59,3.06,-4.51,2,2,0, 216.078, 1
32188534
 
#96

AF ChemPharm: CP/10V-042
Chembo Pharma: KB-285637
PubChem: 54143592, 588987
SureChEMBL: SCHEMBL196151, SCHEMBL10669046
ref: mol2, SDF, SMILES, flexibase
1.63,4.65,-7.99,0,2,0, 144.177, 0

Similar to: 32253944, 39268455, 4309469,
24602336
 
#97

AF ChemPharm: CP/10V-044
Ark Pharm Building Blocks: AK-65145
PubChem: 60112938, 589029
SureChEMBL: SCHEMBL14478710, SCHEMBL291004
ref: mol2, SDF, SMILES, flexibase
1.54,4.44,-9.72,0,2,0, 144.177, 0

Similar to: 39247397,
1225869
 
#98

AF ChemPharm: CP/10V-049
ChemDB: 4275841
PubChem: 6403940
SureChEMBL: SCHEMBL12215453
ref: mol2, SDF, SMILES, flexibase
2.14,0.09,-10.12,0,3,0, 174.203, 1
334616
 
#99

eMolecules: 1199900
Molport: MolPort-000-861-093
Scientific Exchange (make on demand): M-132998
AF ChemPharm: CP/10V-056
AKOS: AKOS000567802...17 total

ref: mol2, SDF, SMILES, flexibase
3.59,0.24,-10.45,0,3,0, 236.274, 2

Similar to: 188661,
967341
 
#100

ChemMol: 96700420, 44019715
eMolecules: 481329
Scientific Exchange: L04/034
Scientific Exchange (make on demand): Z-051432
AF ChemPharm: CP/10V-078...49 total

ref: mol2, SDF, SMILES, flexibase
5.08,-0.05,-9.61,0,2,0, 282.346, 2

Similar to: 32256142, 32265197, 32266804, 39238711, ... 4 in total.

Old detail retrieval took 1 seconds.

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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 = 383 ) limit 0,100

Smiles were