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2583749
 
#1

BioSynth: I-2610
Tractus: TRA0151005
AK Scientific (Depleted): 66468
PubChem: 24802221
ref: mol2, SDF, SMILES, flexibase
1.64,4,-21.74,1,3,0, 173.171, 2

Similar to: 5159846, 34427533, 39258967,
2583774
 
#2

BioSynth: B-3750
PubChem: 24801941
ref: mol2, SDF, SMILES, flexibase
2.22,2.53,-15.98,1,7,0, 259.221, 4

Similar to: 34537744,
2583751
 
#3

BioSynth: B-4590
PubChem: 24801942
ref: mol2, SDF, SMILES, flexibase
5.35,-1.27,-10.32,2,5,0, 320.414, 6
2539035
 
#4

BioSynth: B-5200
PubChem: 24801943
ref: mol2, SDF, SMILES, flexibase
6.81,-1.31,-10.3,2,5,0, 396.512, 8
2558207
 
#5

ChemMol: 44009685, 1036690
Acorn PharmaTech: ACN-S002840
Angene Building Blocks: AGN-PC-02GUL3
Anward: ANW-23753
Apexmol Building Blocks: AM84673...35 total

ref: mol2, SDF, SMILES, flexibase
2.03,1.7,-20.82,1,4,0, 203.197, 3

Similar to: 39046973, 39256311,
9915644
 
#6

BioSynth: F-8000
PubChem: 54498001, 41274741
ref: mol2, SDF, SMILES, flexibase
0.16,-2.94,-4.33,4,5,0, 234.292, 0

Similar to: 9970219, 9970464, 9970465, 12358808, 12358809, ... 20 in total.
9915645
 
#7

BioSynth: F-8060
ref: mol2, SDF, SMILES, flexibase
-0.28,-3.72,-4.34,4,5,0, 220.265, 0

Similar to: 9915683, 9915757, 9970327, 9970413, 9970414, ... 32 in total.
9915646
 
#8

BioSynth: G-1500
PubChem: 41274743
ref: mol2, SDF, SMILES, flexibase
-0.26,-3.34,-7.26,3,4,0, 188.223, 1

Similar to: 9915647, 9915818, 9915819,
9915647
 
#9

BioSynth: G-1500
PubChem: 41274744
ref: mol2, SDF, SMILES, flexibase
-0.26,-4.2,-5.46,3,4,0, 188.223, 1

Similar to: 9915818, 9915819, 9915646,
9915648
 
#10

BioSynth: B-7350
PubChem: 41274745
ref: mol2, SDF, SMILES, flexibase
2.89,-6.02,-51.84,4,8,-1, 491.742, 3

Similar to: 9915649,
9915649
 
#11

BioSynth: B-7350
PubChem: 41274747
ref: mol2, SDF, SMILES, flexibase
2.89,-5.56,-45.22,4,8,-1, 491.742, 3

Similar to: 9915648,
9915650
 
#12

BioSynth: B-7407
PubChem: 41274749
ref: mol2, SDF, SMILES, flexibase
3.01,-8.06,-14.04,5,7,0, 478.767, 3

Similar to: 9915651, 9915652, 9915653, 9915762, 9915765, ... 17 in total.
9915651
 
#13

BioSynth: B-7407
PubChem: 41274750
ref: mol2, SDF, SMILES, flexibase
3.01,-7.99,-14.94,5,7,0, 478.767, 3

Similar to: 9915652, 9915653, 9915762, 9915765, 9915766, ... 17 in total.
9915652
 
#14

BioSynth: B-7409
PubChem: 41274751
ref: mol2, SDF, SMILES, flexibase
3.01,-7.33,-11.16,5,7,0, 478.767, 3

Similar to: 9915653, 9915762, 9915765, 9915766, 9915767, ... 17 in total.
9915653
 
#15

BioSynth: B-7409
PubChem: 41274752
ref: mol2, SDF, SMILES, flexibase
3.01,-7.93,-11.89,5,7,0, 478.767, 3

Similar to: 9915762, 9915765, 9915766, 9915767, 9915768, ... 17 in total.
9915654
 
#16

BioSynth: D-0750
PubChem: 41274753
ref: mol2, SDF, SMILES, flexibase
2.94,2.35,-9,1,6,0, 330.421, 1

Similar to: 9915655, 9970260, 9970496, 9970526, 9970527, ... 18 in total.
9915655
 
#17

BioSynth: D-0750
PubChem: 41274754
ref: mol2, SDF, SMILES, flexibase
2.94,2.26,-8.15,1,6,0, 330.421, 1

Similar to: 9970260, 9970496, 9970526, 9970527, 12359040, ... 18 in total.
9915656
 
#18

BioSynth: B-7000
PubChem: 41274755
ref: mol2, SDF, SMILES, flexibase
2.79,-6.34,-13.63,5,8,0, 519.82, 4

Similar to: 9915657, 9970494, 9970495,
9915657
 
#19

BioSynth: B-7000
PubChem: 41274756
ref: mol2, SDF, SMILES, flexibase
2.79,-6.58,-13.57,5,8,0, 519.82, 4

Similar to: 9970494, 9970495, 9915656,
9915658
 
#20

BioSynth: B-7020
PubChem: 41274757
ref: mol2, SDF, SMILES, flexibase
2.79,-6.36,-12.84,5,8,0, 519.82, 4

Similar to: 9915659,
9915659
 
#21

BioSynth: B-7020
PubChem: 41274758
ref: mol2, SDF, SMILES, flexibase
2.79,-6.6,-11.74,5,8,0, 519.82, 4

Similar to: 9915658,
57218
 
#22

Acros Organics: 43960
AK Scientific: 2832AC
Ark Pharm Building Blocks: AK117530
BePharm Building Blocks: B103046
BioSynth: B-8200...24 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.33,-36.61,2,2,1, 254.151, 2

Similar to: 6534890, 6535642, 32210163, 44512280, ... 4 in total.
9915660
 
#23

ChemMol: 51502806
BioSynth: L-8305, L-8300
FineTech: FT-0625528
Synchem UG and Co KG: bc221
Tetrahedron Building Blocks: TS83088...8 total

ref: mol2, SDF, SMILES, flexibase
3.22,-3.58,-21.13,1,10,0, 489.531, 8

Similar to: 9915661, 9915662, 2565861,
2565861
 
#24

ChemMol: 51502806
BioSynth: L-8305, L-8300
FineTech: FT-0625528
Synchem UG and Co KG: bc221
Tetrahedron Building Blocks: TS83088...8 total

ref: mol2, SDF, SMILES, flexibase
3.22,-3.57,-20.56,1,10,0, 489.531, 8

Similar to: 9915660, 9915661, 9915662,
9915661
 
#25

BioSynth: L-8305
Tetrahedron Building Blocks: TS83088
BOC Sciences BB (Depleted): 154140-55-3
ref: mol2, SDF, SMILES, flexibase
3.22,-3.56,-21.12,1,10,0, 489.531, 8

Similar to: 9915662, 9915660, 2565861,
9915662
 
#26

BioSynth: L-8305
Tetrahedron Building Blocks: TS83088
BOC Sciences BB (Depleted): 154140-55-3
ref: mol2, SDF, SMILES, flexibase
3.22,-3.56,-20.99,1,10,0, 489.531, 8

Similar to: 9915660, 9915661, 2565861,
9915663
 
#27

BioSynth: B-7195
PubChem: 41274762
ref: mol2, SDF, SMILES, flexibase
3.01,-7.4,-8.61,5,7,0, 478.767, 3

Similar to: 9915664, 9915686, 9915687, 9915786, 9915787, ... 6 in total.
9915664
 
#28

BioSynth: B-7195
PubChem: 41274763
ref: mol2, SDF, SMILES, flexibase
3.01,-7.85,-9.93,5,7,0, 478.767, 3

Similar to: 9915686, 9915687, 9915786, 9915787, 9970298, ... 6 in total.
9915665
 
#29

BioSynth: C-4762
PubChem: 41274764
ref: mol2, SDF, SMILES, flexibase
2.05,-5.59,-15.76,5,8,0, 440.924, 4

Similar to: 9915666, 9970244, 9970245,
9915666
 
#30

BioSynth: C-4762
PubChem: 41274765
ref: mol2, SDF, SMILES, flexibase
2.05,-5.44,-11.72,5,8,0, 440.924, 4

Similar to: 9970244, 9970245, 9915665,
2539037
 
#31

AK Scientific: 4758AA
Anward: ANW-71568
Ark Pharm Building Blocks: AK-78316
Bachem: M-1215
BePharm Building Blocks: B102956...20 total

ref: mol2, SDF, SMILES, flexibase
2.13,5.68,-10.45,0,3,0, 288.528, 0
ref: mol2, SDF, SMILES, flexibase
3.58,5.02,-40.48,0,3,-1, 287.52, 0
mid: mol2, SDF, SMILES, flexibase
3.58,4.28,-10.02,1,3,0, 288.528, 0

Similar to: 2585764,
9915667
 
#32

BioSynth: M-5600
PubChem: 41274766
ref: mol2, SDF, SMILES, flexibase
1.90,-4.5,-19.83,4,8,0, 408.447, 3

Similar to: 9915668, 9915669, 9915670, 9915839, 9970386, ... 18 in total.
9915668
 
#33

BioSynth: M-5600
PubChem: 41274767
ref: mol2, SDF, SMILES, flexibase
1.90,-4.45,-19.49,4,8,0, 408.447, 3

Similar to: 9915669, 9915670, 9915839, 9970386, 9970396, ... 18 in total.
9915669
 
#34

BioSynth: M-5650
PubChem: 41274768
ref: mol2, SDF, SMILES, flexibase
1.90,-4.22,-14.45,4,8,0, 408.447, 3

Similar to: 9915670, 9915839, 9970386, 9970396, 9970397, ... 18 in total.
9915670
 
#35

BioSynth: M-5650
PubChem: 41274769
ref: mol2, SDF, SMILES, flexibase
1.90,-4.56,-16.47,4,8,0, 408.447, 3

Similar to: 9915839, 9970386, 9970396, 9970397, 9970398, ... 18 in total.
2243036
 
#36

ChemMol: 83602689
AK Scientific: V5123
AKOS: AKOS002664613
Ark Pharm Building Blocks: AK126588
BioSynth: H-6358...24 total

ref: mol2, SDF, SMILES, flexibase
1.94,3.67,-53.01,1,4,-1, 190.178, 2
ref: mol2, SDF, SMILES, flexibase
1.06,1.96,-30.8,2,4,1, 192.194, 2
mid: mol2, SDF, SMILES, flexibase
1.94,2.75,-8.43,2,4,0, 191.186, 2

Similar to: 39236672, 39236673, 39236677,
9915673
 
#37

BioSynth: A-7050
PubChem: 41274770
ref: mol2, SDF, SMILES, flexibase
0.54,-7.54,-8.28,6,7,0, 341.404, 3

Similar to: 9915674, 9915900, 9915901, 9915902, 9915903, ... 7 in total.
9915674
 
#38

BioSynth: A-7050
PubChem: 41274771
ref: mol2, SDF, SMILES, flexibase
0.54,-7.86,-9.39,6,7,0, 341.404, 3

Similar to: 9915900, 9915901, 9915902, 9915903, ... 7 in total.
9915675
 
#39

BioSynth: N-4450
PubChem: 41274772
ref: mol2, SDF, SMILES, flexibase
1.30,-3.02,-59.64,3,10,-1, 384.361, 4

Similar to: 9915676,
9915676
 
#40

BioSynth: N-4450
PubChem: 41274774
ref: mol2, SDF, SMILES, flexibase
1.30,-2.8,-47.45,3,10,-1, 384.361, 4

Similar to: 9915675,
9915677
 
#41

BioSynth: A-1170
PubChem: 41274776
ref: mol2, SDF, SMILES, flexibase
-1.51,-7.4,-14.88,5,7,0, 277.317, 2

Similar to: 9915678, 9915679, 9915680, 9915720, 9915721, ... 9 in total.
9915678
 
#42

BioSynth: A-1170
PubChem: 41274777
ref: mol2, SDF, SMILES, flexibase
-1.51,-8.28,-10.82,5,7,0, 277.317, 2

Similar to: 9915679, 9915680, 9915720, 9915721, 17046091, ... 9 in total.
9915679
 
#43

BioSynth: A-1200
PubChem: 41274778
ref: mol2, SDF, SMILES, flexibase
-1.51,-7.97,-13.4,5,7,0, 277.317, 2

Similar to: 9915680, 9915720, 9915721, 17046091, 17046093, ... 9 in total.
9915680
 
#44

BioSynth: A-1200
PubChem: 41274779
ref: mol2, SDF, SMILES, flexibase
-1.51,-8.36,-10.81,5,7,0, 277.317, 2

Similar to: 9915720, 9915721, 17046091, 17046093, 17046095, ... 9 in total.
9915681
 
#45

BioSynth: N-4489
PubChem: 41274780
ref: mol2, SDF, SMILES, flexibase
1.43,-5.36,-12.91,4,9,0, 371.386, 4

Similar to: 9915682, 9915718, 9915719, 9915750, 9915751, ... 16 in total.
9915682
 
#46

BioSynth: N-4489
PubChem: 41274781
ref: mol2, SDF, SMILES, flexibase
1.43,-5.46,-14.11,4,9,0, 371.386, 4

Similar to: 9915718, 9915719, 9915750, 9915751, 9915826, ... 16 in total.
2572506
 
#47

AK Scientific: X9507
Amadis Chemical: A846992
Angene Building Blocks: AGN-PC-0N59G1
Anward: ANW-54173
Apexmol Building Blocks: AM20020306...30 total

ref: mol2, SDF, SMILES, flexibase
3.42,-0.1,-5.05,1,1,0, 186.041, 0

Similar to: 5935082, 39242793,
9915683
 
#48

BioSynth: A-8240
ref: mol2, SDF, SMILES, flexibase
-0.28,-4.61,-4.86,4,5,0, 220.265, 0

Similar to: 9915757, 9970327, 9970413, 9970414, 9970488, ... 32 in total.
9915684
 
#49

Bachem: I-1055
BioSynth: A-8750
Tetrahedron Building Blocks: TS84079
BOC Sciences BB (Depleted): 201847-69-0
SureChEMBL: SCHEMBL7208685...5 total

ref: mol2, SDF, SMILES, flexibase
-1.69,-12.16,-177.16,15,13,3, 490.589, 14

Similar to: 13540970, 73542284, 2560932,
2539030
 
#50

BioSynth: A-4600
ref: mol2, SDF, SMILES, flexibase
2.03,-2.34,-47.78,4,4,1, 318.578, 3

Similar to: 42854145,
388081
 
#51

BioSynth: H-2250
Apollo Scientific (Depleted): OR28842
FDA-approved drugs (via DSSTOX): 586
ref: mol2, SDF, SMILES, flexibase
-0.85,0.83,-50.52,4,3,1, 112.156, 2
mid: mol2, SDF, SMILES, flexibase
-0.85,1.34,-96.78,5,3,2, 113.164, 2

Similar to: 39132843,
9915685
 
#52

BioSynth: H-2350
ref: mol2, SDF, SMILES, flexibase
0.44,-2.75,-63.04,5,7,1, 313.337, 4
mid: mol2, SDF, SMILES, flexibase
0.44,-2.47,-129.91,6,7,2, 314.345, 4

Similar to: 71788411,
388731
 
#53

ChemMol: 30105533
Acros Organics: 22883
American Custom Chemicals Corp.: CCH0007729
Anward: ANW-60721
APIChem: AC-16617...85 total

ref: mol2, SDF, SMILES, flexibase
-1.42,-1.8,-37.23,5,4,1, 142.182, 3
hi: mol2, SDF, SMILES, flexibase
-1.42,-2.07,-8.83,4,4,0, 141.174, 3
lo: mol2, SDF, SMILES, flexibase
-1.42,-1.33,-99.29,6,4,2, 143.19, 3
9915686
 
#54

BioSynth: B-7270
PubChem: 41274784
ref: mol2, SDF, SMILES, flexibase
3.01,-7.8,-8.9,5,7,0, 478.767, 3

Similar to: 9915687, 9915786, 9915787, 9970298, ... 6 in total.
9915687
 
#55

BioSynth: B-7270
PubChem: 41274785
ref: mol2, SDF, SMILES, flexibase
3.01,-8.1,-10.46,5,7,0, 478.767, 3

Similar to: 9915786, 9915787, 9970298,
9915689
 
#56

BioSynth: D-1480
ChEMBL12: CHEMBL510323
ChEMBL19: CHEMBL510323
PubChem: 24802078, 26471066
ref: mol2, SDF, SMILES, flexibase
-1.51,13.43,-51.56,0,7,0, 437.473, 14

Similar to: 9915691, 15206761, 34587864,
9915691
 
#57

BioSynth: D-1480
ChEMBL12: CHEMBL510323
ChEMBL19: CHEMBL510323
PubChem: 51470319, 24802078
ref: mol2, SDF, SMILES, flexibase
-1.51,13.23,-51.24,0,7,0, 437.473, 14

Similar to: 15206761, 34587864, 9915689,
9915692
 
#58

BioSynth: C-4990
PubChem: 41274786
ref: mol2, SDF, SMILES, flexibase
2.25,-6.91,-9.93,5,7,0, 399.871, 3

Similar to: 9915693, 34612261,
9915693
 
#59

BioSynth: C-4990
PubChem: 41274787
ref: mol2, SDF, SMILES, flexibase
2.25,-7.14,-10.98,5,7,0, 399.871, 3

Similar to: 9915692,
9915694
 
#60

BioSynth: C-4995
PubChem: 41274788
ref: mol2, SDF, SMILES, flexibase
2.27,-6.56,-8.34,5,7,0, 399.871, 3

Similar to: 9915695, 9915696, 9915697, 9915701, 9915702, ... 13 in total.
9915695
 
#61

BioSynth: C-4995
PubChem: 41274789
ref: mol2, SDF, SMILES, flexibase
2.27,-7.12,-9.78,5,7,0, 399.871, 3

Similar to: 9915696, 9915697, 9915701, 9915702, 9915705, ... 13 in total.
9915696
 
#62

BioSynth: C-5000
PubChem: 41274790
ref: mol2, SDF, SMILES, flexibase
2.27,-6.88,-8.02,5,7,0, 399.871, 3

Similar to: 9915697, 9915701, 9915702, 9915705, 9915706, ... 13 in total.
9915697
 
#63

BioSynth: C-5000
PubChem: 41274791
ref: mol2, SDF, SMILES, flexibase
2.27,-7.23,-9.63,5,7,0, 399.871, 3

Similar to: 9915701, 9915702, 9915705, 9915706, 9915707, ... 13 in total.
9915698
 
#64

BioSynth: D-0560
ref: mol2, SDF, SMILES, flexibase
1.07,-0.63,-3.95,3,4,0, 218.293, 0

Similar to: 9915799, 9915800, 9915828, 9915829, 34450361, ... 17 in total.
2583765
 
#65

BioSynth: A-0310
Chembo Pharma: KB-196533
PubChem: 11379620
SureChEMBL: SCHEMBL5680973
ref: mol2, SDF, SMILES, flexibase
2.13,2.45,-9.84,1,5,0, 247.25, 5
2026790
 
#66

Aldrich CPR: CDS018478|ALDRICH
BioSynth: A-5540
Sigma Aldrich (Building Blocks): CDS018478|ALDRICH
ChemDB: 7555232
Leadscope via PubChem: LS-82265...9 total

ref: mol2, SDF, SMILES, flexibase
0.94,4.15,-35.17,4,3,1, 190.27, 2

Similar to: 5764660, 31703128,
2509484
 
#67

Molport: MolPort-020-004-045
Ark Pharm Building Blocks: AK-62464
BioSynth: A-6130
Chembo Pharma: KB-196688
Combi-Blocks: SS-1543...14 total

ref: mol2, SDF, SMILES, flexibase
-0.02,5.06,-48.67,3,4,1, 222.264, 7

Similar to: 34028009, 34619823, 35838231,
1554392
 
#68

Molport: MolPort-016-582-410
AK Scientific: 6842AA
Anward: ANW-58882
Apexmol Building Blocks: AM84373
Ark Pharm Building Blocks: AK-59194...30 total

ref: mol2, SDF, SMILES, flexibase
0.83,5.13,-47.42,3,4,1, 216.301, 10

Similar to: 34381140, 34381141,
9915699
 
#69

BioSynth: D-3640
PubChem: 41274793, 24802095
ref: mol2, SDF, SMILES, flexibase
2.34,-4.22,-51.97,2,5,-1, 275.365, 14

Similar to: 9915700, 9970460, 9970461, 38420856, 78247203, ... 6 in total.
9915700
 
#70

BioSynth: D-3640
PubChem: 41274795, 24802095
ref: mol2, SDF, SMILES, flexibase
2.34,-4.22,-51.96,2,5,-1, 275.365, 14

Similar to: 9970460, 9970461, 38420856, 78247203, 78247207, ... 6 in total.
9915701
 
#71

BioSynth: C-5015
PubChem: 41274797
ref: mol2, SDF, SMILES, flexibase
2.27,-7.34,-12.23,5,7,0, 399.871, 3

Similar to: 9915702, 9915705, 9915706, 9915707, 9915708, ... 13 in total.
9915702
 
#72

BioSynth: C-5015
PubChem: 41274798
ref: mol2, SDF, SMILES, flexibase
2.27,-7.27,-12.78,5,7,0, 399.871, 3

Similar to: 9915705, 9915706, 9915707, 9915708, 9970441, ... 13 in total.
9915703
 
#73

BioSynth: C-5050
PubChem: 41274799
ref: mol2, SDF, SMILES, flexibase
2.15,-5.35,-53.61,4,8,-1, 412.846, 3

Similar to: 9915704,
9915704
 
#74

BioSynth: C-5050
PubChem: 41274801
ref: mol2, SDF, SMILES, flexibase
2.15,-4.96,-48.3,4,8,-1, 412.846, 3

Similar to: 9915703,
9915705
 
#75

BioSynth: C-5020
PubChem: 41274803
ref: mol2, SDF, SMILES, flexibase
2.27,-7.19,-8.82,5,7,0, 399.871, 3

Similar to: 9915706, 9915707, 9915708, 9970441, 9970442, ... 13 in total.
9915706
 
#76

BioSynth: C-5020
PubChem: 41274804
ref: mol2, SDF, SMILES, flexibase
2.27,-7.47,-10.45,5,7,0, 399.871, 3

Similar to: 9915707, 9915708, 9970441, 9970442, 43509394, ... 13 in total.
9915707
 
#77

BioSynth: C-5070
PubChem: 41274805
ref: mol2, SDF, SMILES, flexibase
2.27,-6.64,-10.05,5,7,0, 399.871, 3

Similar to: 9915708, 9970441, 9970442, 43509394, 43509396, ... 13 in total.
9915708
 
#78

BioSynth: C-5070
PubChem: 41274806
ref: mol2, SDF, SMILES, flexibase
2.27,-7.21,-9.88,5,7,0, 399.871, 3

Similar to: 9915694, 9915695, 9915696, 9915697, 9915701, ... 9 in total.
2539050
 
#79

Molport: MolPort-016-581-701
AK Scientific: 1027AC
Ark Pharm Building Blocks: AK112665
BePharm Building Blocks: B103528
BioSynth: C-5161...18 total

ref: mol2, SDF, SMILES, flexibase
3.19,0.36,-4.92,1,1,0, 165.623, 0

Similar to: 32205111, 34545722, 44700169,
2583775
 
#80

ChemMol: 44017915
Molport: MolPort-002-497-875
Anward: ANW-63640
Ark Pharm Building Blocks: AK-78956, AK128203
BePharm Building Blocks: B110614...27 total

ref: mol2, SDF, SMILES, flexibase
1.19,3.43,-49.75,4,2,1, 179.218, 2

Similar to: 34593619,
57329
 
#81

ChemMol: 42301131
AK Scientific: 1943AA
American Custom Chemicals Corp.: AAA0002096
Apollo Scientific: PC9228
Ark Pharm Building Blocks: AK110083...28 total

ref: mol2, SDF, SMILES, flexibase
-0.96,3.16,-48.71,4,4,0, 222.219, 3
9915709
 
#82

BioSynth: D-0290
PubChem: 41274807
ref: mol2, SDF, SMILES, flexibase
0.24,-10.99,-14.05,7,11,0, 510.621, 6

Similar to: 9915710, 9915711, 9915712, 9915713, 9915714, ... 36 in total.
9915710
 
#83

BioSynth: D-0290
PubChem: 41274808
ref: mol2, SDF, SMILES, flexibase
0.24,-9.88,-11.87,7,11,0, 510.621, 6

Similar to: 9915711, 9915712, 9915713, 9915714, 9915715, ... 36 in total.
9915711
 
#84

BioSynth: D-0290
PubChem: 41274809
ref: mol2, SDF, SMILES, flexibase
0.24,-5.77,-12.5,7,11,0, 510.621, 6

Similar to: 9915712, 9915713, 9915714, 9915715, 9915783, ... 36 in total.
9915712
 
#85

BioSynth: C-2600
PubChem: 41274810
ref: mol2, SDF, SMILES, flexibase
-1.20,-13.89,-10.28,8,11,0, 468.54, 4

Similar to: 9915713, 9915714, 9915715, 9915783, 9915784, ... 37 in total.
9915713
 
#86

BioSynth: C-2600
PubChem: 41274811
ref: mol2, SDF, SMILES, flexibase
-1.20,-14.85,-12.81,8,11,0, 468.54, 4

Similar to: 9915714, 9915715, 9915783, 9915784, 9970276, ... 37 in total.
9915714
 
#87

BioSynth: C-2600
PubChem: 41274812
ref: mol2, SDF, SMILES, flexibase
-1.20,-11.43,-11.36,8,11,0, 468.54, 4

Similar to: 9915715, 9915783, 9915784, 9970276, 9970277, ... 39 in total.
9915715
 
#88

BioSynth: C-2600
PubChem: 41274813
ref: mol2, SDF, SMILES, flexibase
-1.20,-12.12,-14.67,8,11,0, 468.54, 4

Similar to: 9915783, 9915784, 9970276, 9970277, 9970278, ... 42 in total.
2508158
 
#89

ChemMol: 1202855
Anward: ANW-56550
Apexmol Building Blocks: AM20080933
Ark Pharm Building Blocks: AK-30131
Aromalake BB: LS20080...22 total

ref: mol2, SDF, SMILES, flexibase
3.05,0.66,-4.93,1,1,0, 145.205, 1

Similar to: 2580729, 34525948, 34611777, 39017380, 39253841, ... 6 in total.
2581993
 
#90

BioSynth: E-7900
Bosche Scientific: E14796
Chembo Pharma: KB-43125
FineTech: FT-0620381
ChEMBL12: CHEMBL397348...11 total

ref: mol2, SDF, SMILES, flexibase
2.40,0.47,-53.48,1,3,-1, 202.233, 3

Similar to: 34451164, 39119670, 39119673, 39224574, ... 5 in total.
9915716
 
#91

BioSynth: M-5700
PubChem: 41274814
ref: mol2, SDF, SMILES, flexibase
1.77,-2.46,-54.54,3,9,-1, 421.422, 3

Similar to: 9915717, 12358940, 12358941, 12358942, 12358943, ... 7 in total.
9915717
 
#92

BioSynth: M-5700
PubChem: 41274816
ref: mol2, SDF, SMILES, flexibase
1.77,-2.04,-48.41,3,9,-1, 421.422, 3

Similar to: 12358940, 12358941, 12358942, 12358943, 43509410, ... 7 in total.
9915718
 
#93

BioSynth: N-4400
PubChem: 41274818
ref: mol2, SDF, SMILES, flexibase
1.43,-5.09,-10.95,4,9,0, 371.386, 4

Similar to: 9915719, 9915750, 9915751, 9915826, 9915827, ... 16 in total.
9915719
 
#94

BioSynth: N-4400
PubChem: 41274819
ref: mol2, SDF, SMILES, flexibase
1.43,-5.48,-12.93,4,9,0, 371.386, 4

Similar to: 9915750, 9915751, 9915826, 9915827, 9970246, ... 16 in total.
9915720
 
#95

BioSynth: A-1473
PubChem: 41274820
ref: mol2, SDF, SMILES, flexibase
-1.51,-6.89,-13.06,5,7,0, 277.317, 2

Similar to: 9915721, 17046091, 17046093, 17046095, 17046097, ... 9 in total.
9915721
 
#96

BioSynth: A-1473
PubChem: 41274821
ref: mol2, SDF, SMILES, flexibase
-1.51,-8.03,-13.26,5,7,0, 277.317, 2

Similar to: 17046091, 17046093, 17046095, 17046097, ... 9 in total.
9915722
 
#97

BioSynth: A-1600
PubChem: 41274822
ref: mol2, SDF, SMILES, flexibase
-2.13,-7.87,-49.12,6,10,-1, 378.398, 5

Similar to: 9915723, 9915724, 9915725, 35570731, 35570734, ... 7 in total.
9915723
 
#98

BioSynth: A-1600
PubChem: 41274824
ref: mol2, SDF, SMILES, flexibase
-2.13,-5.68,-49.7,6,10,-1, 378.398, 5

Similar to: 9915724, 9915725, 35570731, 35570734, 35570737, ... 7 in total.
9915724
 
#99

BioSynth: A-1600
PubChem: 41274826
ref: mol2, SDF, SMILES, flexibase
-2.13,-8.18,-53.05,6,10,-1, 378.398, 5

Similar to: 9915725, 35570731, 35570734, 35570737, 44185610, ... 7 in total.
9915725
 
#100

BioSynth: A-1600
PubChem: 41274828
ref: mol2, SDF, SMILES, flexibase
-2.13,-6.5,-48.45,6,10,-1, 378.398, 5

Similar to: 35570731, 35570734, 35570737, 44185610, ... 7 in total.

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 211 ) limit 0,100

Smiles were