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2572875
 
#1

ChemMol: 44014816, 30116232
AK Scientific: X2735
Aldrich CPR: CDS013813|ALDRICH
Alfa-Aesar: H26098
Angene Building Blocks: AGN-PC-0LW9H7...35 total

ref: mol2, SDF, SMILES, flexibase
2.54,1.9,-10.74,1,2,0, 190.12, 2

Similar to: 34573412,
2569925
 
#2

ChemMol: 1037470, 83601469, 44028641
TCM Database @ Taiwan: tcm03_005839
Acros Organics: 43314
AK Scientific: X2734
AKOS: AKOS000112538...54 total

ref: mol2, SDF, SMILES, flexibase
2.09,0.76,-8.41,1,2,0, 136.15, 1

Similar to: 34578645, 38220408,
2390003
 
#3

ChemMol: 1201771, 98001288, 44013261
eMolecules: 508762
Molport: MolPort-001-769-410
Acros Organics: 39854
ACT Chemical BB: ACT02943...53 total

ref: mol2, SDF, SMILES, flexibase
1.86,2.2,-6.82,1,2,0, 136.15, 1
4262424
 
#4

ChemMol: 44004817, 1037291, 30110203, 98001534, 1037422, 1200334
AK Scientific: X2732
Alfa-Aesar: B20621
Angene Building Blocks: AGN-PC-0JSAWF
Anward: ANW-39446...52 total

ref: mol2, SDF, SMILES, flexibase
2.72,4.3,-10.09,0,1,0, 192.111, 2
4264774
 
#5

ChemMol: 1200337, 98001476, 1037526, 83600557
Acros Organics: 44227
AK Scientific: X2731
Alfa-Aesar: B20659
Anward: ANW-74325...44 total

ref: mol2, SDF, SMILES, flexibase
2.69,4.26,-8.06,0,1,0, 192.111, 2
2529890
 
#6

ChemMol: 98002317, 2100163, 1202151
eMolecules: 848262
AK Scientific: X2729
AKOS: AKOS000111485
Alfa-Aesar: H32849...64 total

ref: mol2, SDF, SMILES, flexibase
1.93,3.73,-10.77,0,3,0, 202.156, 4
2539346
 
#7

ChemMol: 1037267, 98000880, 30103607, 1200325, 44003339
eMolecules: 493227
Acros Organics: 30352
AK Scientific: X2727
Alfa-Aesar: L08504...66 total

ref: mol2, SDF, SMILES, flexibase
1.98,4.36,-7.96,0,1,0, 142.104, 1
2530981
 
#8

ChemMol: 44026279, 1037364, 1200291, 98001773
Acros Organics: 39315
AK Scientific: X2726
Alfa-Aesar: B25495
Angene Building Blocks: AGN-PC-0JTY60...50 total

ref: mol2, SDF, SMILES, flexibase
3.27,0.09,-5.5,0,1,0, 263.916, 1

Similar to: 39269216,
44830758
 
#9

ChemMol: 44027263, 98002554
AK Scientific: X2725
Aldrich CPR: CDS003679|ALDRICH
Angene Building Blocks: AGN-PC-0QYHYZ
Anward: ANW-70657...28 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.99,-7.09,0,3,0, 161.16, 2
16159787
 
#10

ChemMol: 44012350, 30115981, 98002605
AK Scientific: X2724
Angene Building Blocks: AGN-PC-0KL25A
Anward: ANW-49693
Apexmol Building Blocks: AM20020161...44 total

ref: mol2, SDF, SMILES, flexibase
1.57,4.69,-12.43,0,2,0, 149.124, 1
4253841
 
#11

ChemMol: 44009013, 1037347, 1200261, 98001247
Acros Organics: 42584
AK Scientific: X2723
Alfa-Aesar: B24022
Angene Building Blocks: AGN-PC-0JLLYJ...54 total

ref: mol2, SDF, SMILES, flexibase
3.23,3.54,-9.61,0,1,0, 208.566, 2

Similar to: 34365058, 34365060, 34575097,
16159629
 
#12

ChemMol: 98002507
AK Scientific: X2722
AKOS: AKOS015956701
Anward: ANW-58811
Apollo Scientific: PC8832...26 total

ref: mol2, SDF, SMILES, flexibase
3.21,5.7,-7.55,0,1,0, 208.566, 2

Similar to: 34364938, 34365061,
56837
 
#13

ChemMol: 1037336, 97801180, 30110605, 1200259, 44009012, 98001734
AK Scientific: X2721
AKOS: AKOS005216079
Alfa-Aesar: B22925
Angene Building Blocks: AGN-PC-0JUYKQ...58 total

ref: mol2, SDF, SMILES, flexibase
3.23,3.66,-6.31,0,1,0, 208.566, 2

Similar to: 34365058, 34365060, 34575097,
2569253
 
#14

ChemMol: 30105760, 1037335, 44004814, 98002874, 83600465
Acros Organics: 39843
AK Scientific: X2720
Alfa-Aesar: B24103
Angene Building Blocks: AGN-PC-0KK7ZL...47 total

ref: mol2, SDF, SMILES, flexibase
3.21,3.53,-4.94,0,1,0, 208.566, 2

Similar to: 34365058, 34365060, 34575097,
39212361
 
#15

eMolecules: 25679609
Molport: MolPort-007-981-927
AK Scientific: X2719
AKOS: AKOS000276580
Anward: ANW-69251...27 total

ref: mol2, SDF, SMILES, flexibase
2.78,5.28,-7.01,0,1,0, 154.596, 1
34305217
 
#16

Molport: MolPort-016-579-374
AK Scientific: X2718
Ark Pharm Building Blocks: AK156591
Chembo Pharma: KB-68424
Fluorochem: 037515...12 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.24,-4.6,0,1,0, 154.596, 1

Similar to: 38234264,
586297
 
#17

ChemMol: 1037320
eMolecules: 522025
Molport: MolPort-000-894-031
Scientific Exchange (make on demand): Q-034416
Acorn PharmaTech: ACN-S001191...56 total

ref: mol2, SDF, SMILES, flexibase
2.39,1.55,-6.81,0,2,0, 170.595, 2

Similar to: 39370259,
65336757
 
#18

Molport: MolPort-015-142-635
AK Scientific: X2716
Aldrich CPR: CDS018667|ALDRICH
Alinda: IBS-B0016057
Alinda Building Blocks: ALBB-016057...24 total

ref: mol2, SDF, SMILES, flexibase
1.85,1.88,-8.11,1,2,0, 156.568, 1
hi: mol2, SDF, SMILES, flexibase
1.85,2.56,-41.3,0,2,-1, 155.56, 1
732125
 
#19

ChemMol: 1037345, 1200288, 30109288, 44008982, 98002208
Acros Organics: 37475
AK Scientific: X2715
Aldrich CPR: L300993|ALDRICH
Alfa-Aesar: H26485...53 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.2,-5.93,0,1,0, 158.559, 1
2528384
 
#20

ChemMol: 44009866, 1037341, 1037354, 30108406
AK Scientific: X2714
Aldrich CPR: CDS012620|ALDRICH
Alfa-Aesar: H26383
Anward: ANW-60667...32 total

ref: mol2, SDF, SMILES, flexibase
2.59,2.84,-12.39,0,1,0, 176.549, 1
2541332
 
#21

ChemMol: 1037258, 44015080, 98002438, 97805273, 1200257, 1037402, 30109292, 44015424
AK Scientific: X2713
Aldrich CPR: CDS004622|ALDRICH
Alfa-Aesar: H26109
Angene Building Blocks: AGN-PC-0LW7YV...61 total

ref: mol2, SDF, SMILES, flexibase
3.36,3.11,-6.01,0,1,0, 253.017, 2

Similar to: 38410168,
15444605
 
#22

ChemMol: 44024499, 1202152, 97805151, 98002353
Molport: MolPort-002-501-386
AK Scientific: X2712
Alfa-Aesar: H31751
Angene Building Blocks: AGN-PC-0NMPI2...28 total

ref: mol2, SDF, SMILES, flexibase
3.43,5.93,-7.01,0,2,0, 269.016, 3
16158085
 
#23

AK Scientific: X2711
AKOS: AKOS015853141
Apollo Scientific: PC1105
Ark Pharm Building Blocks: AK136542
Chembo Pharma: KB-87561...18 total

ref: mol2, SDF, SMILES, flexibase
3.43,4.7,-7.67,0,2,0, 269.016, 3
34088195
 
#24

ChemMol: 1202146, 98002546
AK Scientific: X2709
Alfa-Aesar: H61314
Amadis Chemical: A846971
Angene Building Blocks: AGN-PC-00N1J1...37 total

ref: mol2, SDF, SMILES, flexibase
2.91,5.38,-5.59,0,1,0, 199.047, 1
12956582
 
#25

ChemMol: 44015632, 98002582
AK Scientific: X2708
Alfa-Aesar: H55545
Angene Building Blocks: AGN-PC-0NF3OL
Anward: ANW-29952...39 total

ref: mol2, SDF, SMILES, flexibase
2.52,4.23,-4.85,0,2,0, 215.046, 2

Similar to: 32224117, 36985301, 37025607,
1410691
 
#26

ChemMol: 44026805, 1037388, 30102893
eMolecules: 516422
Scientific Exchange (make on demand): R-030899
AK Scientific: X2707
AKOS: AKOS000291220...60 total

ref: mol2, SDF, SMILES, flexibase
2.25,-1.02,-6.67,1,2,0, 201.019, 1
78254
 
#27

ChemMol: 97806571, 30109802
eMolecules: 626509
Scientific Exchange (make on demand): R-035326
AK Scientific: X2706
AKOS: AKOS000273765...66 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.65,-7.79,1,3,0, 245.072, 3

Similar to: 34418110, 34580653,
34214305
 
#28

AK Scientific: X2705
AKOS: AKOS015835300
Angene Building Blocks: AGN-PC-00091T
Anward: ANW-17453
Apexmol Building Blocks: AM83161...28 total

ref: mol2, SDF, SMILES, flexibase
3.14,5.29,-8,0,1,0, 219.465, 1
35322935
 
#29

ChemMol: 1203429, 98002520
AK Scientific: X2704
Angene Building Blocks: AGN-PC-01LRKH
Anward: ANW-23415
Apexmol Building Blocks: AM83081...33 total

ref: mol2, SDF, SMILES, flexibase
3.14,5.34,-5.6,0,1,0, 219.465, 1
12359163
 
#30

AK Scientific: X2703
Alfa-Aesar: H26213
Angene Building Blocks: AGN-PC-03KYY6
Anward: ANW-29192
Apollo Scientific: PC7849...24 total

ref: mol2, SDF, SMILES, flexibase
2.72,2.21,-5.99,0,1,0, 221, 1

Similar to: 34433959,
15042189
 
#31

ChemMol: 1203425, 2100164
AK Scientific: X2702
Angene Building Blocks: AGN-PC-001KED
Anward: ANW-44032
Apollo Scientific: PC49211...26 total

ref: mol2, SDF, SMILES, flexibase
2.49,4.01,-13.15,0,3,0, 238.136, 5

Similar to: 3887828,
156999
 
#32

ChemMol: 30105746, 1200139, 98000285
AK Scientific: X2667
Alfa-Aesar: B23267
Angene Building Blocks: AGN-PC-0JLQ12
Anward: ANW-26857...48 total

ref: mol2, SDF, SMILES, flexibase
2.75,4.55,-8.23,0,1,0, 185.148, 2

Similar to: 34448878,
2169762
 
#33

ChemMol: 30112960, 1031312, 98001452, 44003407, 30105749, 1200157
eMolecules: 512080
Acorn PharmaTech: ACN-S004018
Acros Organics: 37939
AK Scientific: X2666...57 total

ref: mol2, SDF, SMILES, flexibase
2.87,4.29,-9.03,0,2,0, 201.147, 3

Similar to: 45626821, 45626822,
156333
 
#34

ChemMol: 98001475, 1200158
AK Scientific: X2665
AKOS: AKOS015853154
Alfa-Aesar: A19088
Anward: ANW-74592...37 total

ref: mol2, SDF, SMILES, flexibase
2.85,4.29,-8.92,0,2,0, 201.147, 3
4290229
 
#35

ChemMol: 1200173, 98001435
AK Scientific: X2664
Apollo Scientific: PC7818J
Ark Pharm Building Blocks: AK135190
Bide Pharmatech BB: BD32835...26 total

ref: mol2, SDF, SMILES, flexibase
2.25,4.93,-12.71,0,1,0, 171.121, 1
2528064
 
#36

ChemMol: 1200127, 98001438
AK Scientific: X2663
AKOS: AKOS009158955
Alfa-Aesar: L15119
Apexmol Building Blocks: AM803978...36 total

ref: mol2, SDF, SMILES, flexibase
2.99,1.93,-8.07,0,1,0, 243.047, 1
157004
 
#37

ChemMol: 1200125, 98001249
AK Scientific: X2662
Alfa-Aesar: L12767
Anward: ANW-61216
Apexmol Building Blocks: AM83168...29 total

ref: mol2, SDF, SMILES, flexibase
2.94,1.95,-6.57,0,1,0, 243.047, 1
2600098
 
#38

ChemMol: 98001502, 44032703, 30115017, 1200116, 1202123, 1031308, 44015540
AK Scientific: X2661
Anward: ANW-48212
Apexmol Building Blocks: AM82826
APIChem: AC-9791...44 total

ref: mol2, SDF, SMILES, flexibase
2.89,5.68,-9.69,0,1,0, 203.138, 2
2382206
 
#39

ChemMol: 98002137, 1200117, 1031306
AK Scientific: X2660
Aldrich CPR: PH011498|ALDRICH
Angene Building Blocks: AGN-PC-0KKWAH
Anward: ANW-72886...34 total

ref: mol2, SDF, SMILES, flexibase
2.44,3.8,-8.16,0,1,0, 149.168, 1
2560141
 
#40

ChemMol: 98001895
Scientific Exchange Building Blocks: F-454087
AK Scientific: X2659
Alfa-Aesar: H50641
Apollo Scientific: PC4809...37 total

ref: mol2, SDF, SMILES, flexibase
2.47,3.85,-10.15,0,2,0, 183.157, 3
156230
 
#41

ChemMol: 98001583
eMolecules: 858959
AK Scientific: X2658
AKOS: AKOS000173231
Aldrich CPR: PH002891|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
2.20,2.49,-17.2,0,2,0, 214.051, 2

Similar to: 2579779,
14989259
 
#42

ChemMol: 44008880, 98002642, 1200166
Molport: MolPort-002-317-195
AK Scientific: X2657
AKOS: AKOS015911942
Anward: ANW-59239...25 total

ref: mol2, SDF, SMILES, flexibase
3.45,6.88,-8.15,0,1,0, 274.943, 1

Similar to: 39350490,
388120
 
#43

ChemMol: 98000291, 1200128
eMolecules: 479349
Molport: MolPort-001-768-804
Acros Organics: 15257
AK Scientific: X2656...53 total

ref: mol2, SDF, SMILES, flexibase
1.61,5.89,-11.07,0,2,0, 142.161, 1
2527773
 
#44

ChemMol: 44015643
AK Scientific: X2655
Angene Building Blocks: AGN-PC-0KZ5P8
Anward: ANW-49968
Apexmol Building Blocks: AM82828...24 total

ref: mol2, SDF, SMILES, flexibase
3.40,7.15,-9.18,0,1,0, 219.593, 2
2382088
 
#45

ChemMol: 44015539, 1200118, 98002131, 1031326, 30115020
AK Scientific: X2654
Anward: ANW-74668
Apexmol Building Blocks: AM61635
APIChem: AC-9786...37 total

ref: mol2, SDF, SMILES, flexibase
2.67,3.32,-7.4,0,1,0, 169.586, 1
2382241
 
#46

ChemMol: 98002146, 1200146
AK Scientific: X2653
Angene Building Blocks: AGN-PC-0KKVN4
Anward: ANW-51456
Apexmol Building Blocks: AM20060014...44 total

ref: mol2, SDF, SMILES, flexibase
2.67,3.34,-10.37,0,1,0, 169.586, 1

Similar to: 36203865,
2003998
 
#47

ChemMol: 1030156
AK Scientific: O299, X2650
Alfa-Aesar: H27900
Anward: ANW-42026
Ark Pharm Building Blocks: AK113198...32 total

ref: mol2, SDF, SMILES, flexibase
3.43,7.22,-2.45,0,0,0, 154.64, 2
2575256
 
#48

AK Scientific: X2648
Aldrich CPR: S808725|ALDRICH
Anward: ANW-74046
Ark Pharm Building Blocks: AK-87181
BePharm Building Blocks: B67711...29 total

ref: mol2, SDF, SMILES, flexibase
2.55,1.35,-5.01,0,2,0, 186.638, 3

Similar to: 25500726, 26516960, 26516962, 34384776, 34592433, ... 9 in total.
2572863
 
#49

ChemMol: 1200069, 98002038
eMolecules: 719660
AK Scientific: X2647
Alfa-Aesar: H26735
Alinda Building Blocks: ALBB-006037...39 total

ref: mol2, SDF, SMILES, flexibase
2.77,5.88,-3.11,0,0,0, 162.566, 1
2529879
 
#50

ChemMol: 98002315
Acros Organics: MAY00255
AK Scientific: X2646
Anward: ANW-68525
Ark Pharm Building Blocks: AK-78301...21 total

ref: mol2, SDF, SMILES, flexibase
4.01,7.19,-4.75,0,0,0, 229.028, 2
2559529
 
#51

ChemMol: 1200056, 44004785, 98002453
AK Scientific: X2645
Apollo Scientific: PC1671
Ark Pharm Building Blocks: AK113566
BePharm Building Blocks: B32150...27 total

ref: mol2, SDF, SMILES, flexibase
3.28,6.34,-4.34,0,0,0, 179.021, 1
13912394
 
#52

AK Scientific: X2642
Bosche Scientific: P6381
Cayman Chemical: 10005440
MedChem Express: HY-B0600
ChEBI: CHEBI:66899...22 total

ref: mol2, SDF, SMILES, flexibase
4.62,9.75,-11.2,2,5,0, 452.538, 13

Similar to: 34038796, 34358212, 34866811, 34866812, 34866813, ... 9 in total.
31773258
 
#53

ChemMol: 44014774
AK Scientific: X2640, SYN1016
Angene Building Blocks: AGN-PC-0SWXVR
Anward: ANW-45526
Apexmol Building Blocks: AM808016...55 total

ref: mol2, SDF, SMILES, flexibase
3.42,6.81,-25.34,3,7,0, 457.687, 6
lo: mol2, SDF, SMILES, flexibase
3.42,7.25,-59.59,4,7,1, 458.695, 6

Similar to: 34444616, 34470919, 34534646, 34587830, 38412841, ... 9 in total.
13684256
 
#54

ChemMol: 44029107, 30111184
AK Scientific: X2635, SYN1134
AKOS: AKOS015920386
APIChem: AC-5252
Ark Pharm Building Blocks: AK-41798...41 total

ref: mol2, SDF, SMILES, flexibase
3.08,5.6,-15.1,2,7,0, 370.384, 5

Similar to: 34845483, 3937940,
22062324
 
#55

ChemMol: 30116005
Molport: MolPort-020-007-839
Acorn PharmaTech: ACN-S002008
AK Scientific: X2633
Anward: ANW-23857...29 total

ref: mol2, SDF, SMILES, flexibase
0.75,2.86,-14.41,1,7,0, 319.361, 6
mid: mol2, SDF, SMILES, flexibase
0.75,5.18,-46.46,2,7,1, 320.369, 6
hi: mol2, SDF, SMILES, flexibase
1.21,1.76,-39.66,0,7,-1, 318.353, 6

Similar to: 34532769, 38275740, 38410929, 38476424, ... 4 in total.
39326127
 
#56

ChemMol: 2100768, 30111711
AK Scientific: X2631
AKOS: AKOS015851220
Angene Building Blocks: AGN-PC-0063JL
Anward: ANW-51156...39 total

ref: mol2, SDF, SMILES, flexibase
1.74,4.7,-9.95,0,6,0, 312.753, 8

Similar to: 36461914, 34321800, 34564696, 34572371, 34598668, ... 15 in total.
22056459
 
#57

ChemMol: 30113849
Molport: MolPort-003-846-423
AK Scientific: X2629
AKOS: AKOS015888617
Angene Building Blocks: AGN-PC-0D0J0J...34 total

ref: mol2, SDF, SMILES, flexibase
3.74,6.47,-15.06,2,5,0, 319.723, 3
hi: mol2, SDF, SMILES, flexibase
3.74,7.41,-42.25,1,5,-1, 318.715, 3
4276728
 
#58

eMolecules: 43540395
Molport: MolPort-001-608-628
AK Scientific: X2626, X2628
AKOS: AKOS000567170
Anward: ANW-23877...39 total

ref: mol2, SDF, SMILES, flexibase
1.14,1.75,-3.9,0,1,0, 133.241, 1
34183872
 
#59

AK Scientific: X2104
Anward: ANW-71834
Ark Pharm Building Blocks: AK-67714
BePharm Building Blocks: B208496
ref: mol2, SDF, SMILES, flexibase
1.11,4.22,-47.58,0,5,-1, 153.117, 1
lo: mol2, SDF, SMILES, flexibase
1.11,3.21,-13.76,1,5,0, 154.125, 1
lo: mol2, SDF, SMILES, flexibase
1.11,4.63,-37.29,1,5,0, 154.125, 1
19168249
 
#60

eMolecules: 12033836
AK Scientific: X2047
Asinex: BAS03320728
Asinex Building Blocks: BAS03320728
ChemBridge: 4003970...23 total

ref: mol2, SDF, SMILES, flexibase
-1.38,-1.95,-53.03,4,4,1, 165.238, 1
mid: mol2, SDF, SMILES, flexibase
-1.38,-2.59,-59.72,4,4,1, 165.238, 1
mid: mol2, SDF, SMILES, flexibase
-1.38,-2.37,-11.96,3,4,0, 164.23, 1
19168389
 
#61

eMolecules: 12033836
AK Scientific: X2047
Asinex: BAS03320728
Asinex Building Blocks: BAS03320728
ChemBridge: 4003970...23 total

ref: mol2, SDF, SMILES, flexibase
-1.38,-1.95,-55.39,4,4,1, 165.238, 1
mid: mol2, SDF, SMILES, flexibase
-1.38,-2.56,-61.68,4,4,1, 165.238, 1
mid: mol2, SDF, SMILES, flexibase
-1.38,-2.38,-11.81,3,4,0, 164.23, 1
71863576
 
#62

Molport: MolPort-023-222-258
AK Scientific: X2035
Angene Building Blocks: AGN-PC-0OD0GM
Molport BB: MolPort-023-222-258
53007741
 
#63

eMolecules: 629388, 1972804
Molport: MolPort-001-832-622
Scientific Exchange (make on demand): F-441661
TCM Database @ Taiwan: 47840
AK Scientific: X1246...59 total

mid: mol2, SDF, SMILES, flexibase
1.59,5.79,-89.07,1,7,-2, 342.303, 2
lo: mol2, SDF, SMILES, flexibase
1.01,4.25,-18.97,2,7,0, 344.319, 2
53127745
 
#64

AK Scientific: K591, X1042
Amadis Chemical: A846430
American Custom Chemicals Corp.: API0006470
APIChem: AC-526
BioSynth: Q-102511...38 total

86040409
 
#65

AK Scientific: X1003
Catsyn: SC10635
Element Store BB: b2star-102525-11-1
Sigma Aldrich (Building Blocks): 566101|ALDRICH, 461822|ALDRICH, 566195|ALDRICH, 685011|ALDRICH
Tetrahedron Building Blocks: TS78604...12 total

54009857
 
#66

eMolecules: 502994, 487717
Molport: MolPort-001-769-208, MolPort-003-931-420
Acros Organics: 18958
ACT Chemical BB: ACT04187
AK Scientific: 2012AC...72 total

54009856
 
#67

eMolecules: 502994, 487717
Molport: MolPort-001-769-208, MolPort-003-931-420
Acros Organics: 18958
ACT Chemical BB: ACT04187
AK Scientific: 4486AA...87 total

4692780
 
#68

eMolecules: 818601, 542753
Acorn PharmaTech: ACN-S003289
Acros Organics: FM00165
AK Scientific: X0233
Aldrich CPR: CDS002826|ALDRICH...55 total

ref: mol2, SDF, SMILES, flexibase
-0.01,3.03,-13.49,0,5,0, 113.076, 1
mid: mol2, SDF, SMILES, flexibase
0.40,2.66,-5.41,1,5,0, 113.076, 1
mid: mol2, SDF, SMILES, flexibase
0.40,2.69,-11.14,1,5,0, 113.076, 1
hi: mol2, SDF, SMILES, flexibase
0.40,2.51,-31.06,0,5,-1, 112.068, 1
hi: mol2, SDF, SMILES, flexibase
0.40,2.52,-30.93,0,5,-1, 112.068, 1

Similar to: 34616958,
19872890
 
#69

Acorn PharmaTech: ACN-S003550
AK Scientific: X0216
Aldrich CPR: L510610|ALDRICH
Anward: ANW-26255
Apexmol Building Blocks: AM61442...21 total

ref: mol2, SDF, SMILES, flexibase
2.41,4.83,-39.11,0,4,-1, 216.998, 1
lo: mol2, SDF, SMILES, flexibase
2.41,3.8,-10.66,1,4,0, 218.006, 1
90225579
 
#70

eMolecules: 815647
ACB Blocks: MIX-0879
AK Scientific: X0161
AKOS: AKOS000104695
Aldrich CPR: CDS009103|ALDRICH...47 total

22002665
 
#71

AK Scientific: X0077
Anward: ANW-53625
APIChem: AC-22718
Ark Pharm Building Blocks: AK-79468
BePharm Building Blocks: B229360...16 total

ref: mol2, SDF, SMILES, flexibase
1.57,2,-49.28,1,4,-1, 317.593, 3
mid: mol2, SDF, SMILES, flexibase
1.57,1.33,-18.54,2,4,0, 318.601, 3
38540390
 
#72

Acorn PharmaTech: ACN-S001810
AK Scientific: W9481
Aldrich CPR: CDS007211|ALDRICH
Alfa-Aesar: H26476
Anward: ANW-52044...20 total

ref: mol2, SDF, SMILES, flexibase
1.03,3.12,-124.12,4,3,2, 194.278, 2
hi: mol2, SDF, SMILES, flexibase
1.03,1.78,-39.23,3,3,1, 193.27, 2
hi: mol2, SDF, SMILES, flexibase
1.03,0.47,-3.77,2,3,0, 192.262, 2
hi: mol2, SDF, SMILES, flexibase
1.03,1.84,-42.21,3,3,1, 193.27, 2

Similar to: 38545464, 38545465, 36788974, 37079950, 37079951, ... 9 in total.
38540388
 
#73

Acorn PharmaTech: ACN-S001810
AK Scientific: W9481
Aldrich CPR: CDS007211|ALDRICH
Alfa-Aesar: H26476
Anward: ANW-52044...20 total

ref: mol2, SDF, SMILES, flexibase
1.03,3.12,-124.08,4,3,2, 194.278, 2
hi: mol2, SDF, SMILES, flexibase
1.03,1.78,-37.62,3,3,1, 193.27, 2
hi: mol2, SDF, SMILES, flexibase
1.03,0.67,-3.42,2,3,0, 192.262, 2
hi: mol2, SDF, SMILES, flexibase
1.03,2.02,-40.77,3,3,1, 193.27, 2

Similar to: 38540390, 38545464, 38545465,
91290470
 
#74

AK Scientific: W9460
Ark Pharm Building Blocks: AK-21739
Chembo Pharma: KB-217557
Combi-Blocks: QA-6762
Fluorochem: 077773...14 total

91290465
 
#75

AK Scientific: W9417
Ark Pharm Building Blocks: AK-16329
Chembo Pharma: KB-220484
Combi-Blocks: QA-8750
Fluorochem: 076594...13 total

91290464
 
#76

AK Scientific: W9417
Ark Pharm Building Blocks: AK-16329
Chembo Pharma: KB-220484
Combi-Blocks: QA-8750
Fluorochem: 076594...13 total

91290463
 
#77

AK Scientific: W9416
Ark Pharm Building Blocks: AK-16328
Chembo Pharma: KB-220581
Combi-Blocks: QA-3398
Fluorochem: 076593...15 total

39934048
 
#78

AK Scientific: W9416
Anward: ANW-52073
Ark Pharm Building Blocks: AK-16328
BePharm Building Blocks: B159442
Chembo Pharma: KB-220581...19 total

ref: mol2, SDF, SMILES, flexibase
2.26,4.8,-119.78,4,2,2, 233.142, 1
hi: mol2, SDF, SMILES, flexibase
2.26,2.44,-2.07,2,2,0, 231.126, 1
hi: mol2, SDF, SMILES, flexibase
2.26,3.81,-37.2,3,2,1, 232.134, 1
39934047
 
#79

AK Scientific: W9415
Aldrich CPR: CDS009478|ALDRICH
Anward: ANW-52032
Ark Pharm Building Blocks: AK-16327
BePharm Building Blocks: B159441...12 total

ref: mol2, SDF, SMILES, flexibase
2.19,5.37,-130.71,4,3,2, 244.338, 2
hi: mol2, SDF, SMILES, flexibase
2.19,2.73,-5.22,2,3,0, 242.322, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.02,-42.32,3,3,1, 243.33, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.08,-45.09,3,3,1, 243.33, 2
39934046
 
#80

AK Scientific: W9415
Aldrich CPR: CDS009478|ALDRICH
Anward: ANW-52032
Ark Pharm Building Blocks: AK-16327
BePharm Building Blocks: B159441...12 total

ref: mol2, SDF, SMILES, flexibase
2.19,5.37,-130.73,4,3,2, 244.338, 2
hi: mol2, SDF, SMILES, flexibase
2.19,2.93,-4.8,2,3,0, 242.322, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.03,-40.56,3,3,1, 243.33, 2
hi: mol2, SDF, SMILES, flexibase
2.19,4.28,-43.72,3,3,1, 243.33, 2
91290469
 
#81

AK Scientific: W9357
Aldrich CPR: CDS009237|ALDRICH
Ark Pharm Building Blocks: AK-21703
Chembo Pharma: KB-25645
Combi-Blocks: SS-9152...19 total

91290468
 
#82

AK Scientific: W9357
Aldrich CPR: CDS009237|ALDRICH
Ark Pharm Building Blocks: AK-21703
Chembo Pharma: KB-25645
Combi-Blocks: SS-9152...19 total

39934043
 
#83

AK Scientific: W9356
Anward: ANW-45594
Ark Pharm Building Blocks: AK-16320
BePharm Building Blocks: B159440
Chembo Pharma: KB-221508...16 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.42,-122.16,4,4,2, 224.304, 3
hi: mol2, SDF, SMILES, flexibase
1.02,-0.23,-4.85,2,4,0, 222.288, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.07,-38.17,3,4,1, 223.296, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.13,-41.89,3,4,1, 223.296, 3
39934042
 
#84

AK Scientific: W9356
Anward: ANW-45594
Ark Pharm Building Blocks: AK-16320
BePharm Building Blocks: B159440
Combi-Blocks: QA-8721...14 total

ref: mol2, SDF, SMILES, flexibase
1.02,2.42,-122.15,4,4,2, 224.304, 3
hi: mol2, SDF, SMILES, flexibase
1.02,-0.03,-4.8,2,4,0, 222.288, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.08,-36.54,3,4,1, 223.296, 3
hi: mol2, SDF, SMILES, flexibase
1.02,1.31,-40.57,3,4,1, 223.296, 3
91290467
 
#85

AK Scientific: W9355
Aldrich CPR: CDS006271|ALDRICH
Ark Pharm Building Blocks: AK-21702
Chembo Pharma: KB-220600
Combi-Blocks: QA-9997...18 total

91290466
 
#86

AK Scientific: W9355
Aldrich CPR: CDS006271|ALDRICH
Ark Pharm Building Blocks: AK-21702
Chembo Pharma: KB-220600
Combi-Blocks: QA-9997...18 total

39934041
 
#87

AK Scientific: W9354
Anward: ANW-52051
Ark Pharm Building Blocks: AK-16314
BePharm Building Blocks: B159439
Chembo Pharma: KB-14879...10 total

ref: mol2, SDF, SMILES, flexibase
1.89,5.26,-120.87,4,2,2, 192.306, 2
hi: mol2, SDF, SMILES, flexibase
1.89,3.92,-36.56,3,2,1, 191.298, 2
hi: mol2, SDF, SMILES, flexibase
1.89,2.61,-2.23,2,2,0, 190.29, 2
hi: mol2, SDF, SMILES, flexibase
1.89,3.97,-39.45,3,2,1, 191.298, 2
39934040
 
#88

AK Scientific: W9354
Anward: ANW-52051
Ark Pharm Building Blocks: AK-16314
BePharm Building Blocks: B159439
Chembo Pharma: KB-14879...10 total

ref: mol2, SDF, SMILES, flexibase
1.89,5.26,-120.82,4,2,2, 192.306, 2
hi: mol2, SDF, SMILES, flexibase
1.89,3.93,-35.05,3,2,1, 191.298, 2
hi: mol2, SDF, SMILES, flexibase
1.89,2.8,-1.98,2,2,0, 190.29, 2
hi: mol2, SDF, SMILES, flexibase
1.89,4.16,-37.98,3,2,1, 191.298, 2
55160916
 
#89

Acorn PharmaTech: ACN-S002998
ACT Chemical BB: ACT10563
AK Scientific: W9350
Anward: ANW-45999
Apexmol Building Blocks: AM20041383...26 total

20230981
 
#90

eMolecules: 721475
AK Scientific: W9333
Anward: ANW-47736
Ark Pharm Building Blocks: AK-28126
BePharm Building Blocks: B127850...16 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.72,-31.08,1,4,1, 187.263, 3
mid: mol2, SDF, SMILES, flexibase
0.46,1.44,-4.82,0,4,0, 186.255, 3
mid: mol2, SDF, SMILES, flexibase
0.46,3.9,-40.62,1,4,1, 187.263, 3

Similar to: 32209176, 32209180, 34401468, 34401469, 34431441, ... 41 in total.
20230979
 
#91

eMolecules: 721475
AK Scientific: W9333
Anward: ANW-47736
Ark Pharm Building Blocks: AK-28126
BePharm Building Blocks: B127850...16 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.72,-31.04,1,4,1, 187.263, 3
mid: mol2, SDF, SMILES, flexibase
0.46,1.44,-4.82,0,4,0, 186.255, 3
mid: mol2, SDF, SMILES, flexibase
0.46,3.9,-40.61,1,4,1, 187.263, 3

Similar to: 32209176, 32209180, 34401468, 34401469, 34431441, ... 41 in total.
39564232
 
#92

eMolecules: 4352406
Molport: MolPort-001-756-542
Acros Organics: MAY00168
AK Scientific: W9319
Alfa-Aesar: H26453...18 total

ref: mol2, SDF, SMILES, flexibase
2.16,6.07,-126.96,4,2,2, 214.312, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.73,-39.69,3,2,1, 213.304, 1
hi: mol2, SDF, SMILES, flexibase
2.16,3.44,-3.76,2,2,0, 212.296, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.79,-42.32,3,2,1, 213.304, 1

Similar to: 21798977, 21798981, 21811014, 37082214, 37082215, ... 12 in total.
39564231
 
#93

eMolecules: 4352406
Molport: MolPort-001-756-542
Acros Organics: MAY00168
AK Scientific: W9319
Alfa-Aesar: H26453...18 total

ref: mol2, SDF, SMILES, flexibase
2.16,6.07,-126.93,4,2,2, 214.312, 1
hi: mol2, SDF, SMILES, flexibase
2.16,3.64,-3.35,2,2,0, 212.296, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.74,-38.06,3,2,1, 213.304, 1
hi: mol2, SDF, SMILES, flexibase
2.16,4.98,-40.85,3,2,1, 213.304, 1

Similar to: 39564232, 21798977, 21798981, 21811014, 37081803, ... 14 in total.
2563692
 
#94

eMolecules: 1522854
Scientific Exchange (make on demand): F-406129
AK Scientific: W9061
Aldrich CPR: CDS006596|ALDRICH
Anward: ANW-51364...25 total

ref: mol2, SDF, SMILES, flexibase
1.15,7.15,-34.47,1,3,1, 187.222, 2
mid: mol2, SDF, SMILES, flexibase
1.15,6.69,-10.73,0,3,0, 186.214, 2

Similar to: 34479817, 39292737, 39292756,
26896657
 
#95

AK Scientific: W9019
Ark Pharm Building Blocks: AK-78940
BePharm Building Blocks: B121754
Bide Pharmatech BB: BD121754
Bosche Scientific: D15646...9 total

ref: mol2, SDF, SMILES, flexibase
2.07,8.84,-46.39,1,5,1, 278.328, 6
mid: mol2, SDF, SMILES, flexibase
2.07,6.34,-10.24,0,5,0, 277.32, 6

Similar to: 38239050, 38239051,
19230033
 
#96

eMolecules: 5849847
Acros Organics: CC50413
AK Scientific: W8995
Aldrich CPR: T313939|ALDRICH
Anward: ANW-45664...20 total

ref: mol2, SDF, SMILES, flexibase
0.68,2.43,-51.09,3,3,1, 178.259, 2
hi: mol2, SDF, SMILES, flexibase
0.68,2.24,-28.39,3,3,1, 178.259, 2
hi: mol2, SDF, SMILES, flexibase
0.68,2.05,-5.43,2,3,0, 177.251, 2

Similar to: 34958025, 36782813, 36786377, 36786378, 36788334, ... 24 in total.
18037976
 
#97

eMolecules: 485950
Molport: MolPort-001-783-877
Acros Organics: 34619
AK Scientific: W8968
Alfa-Aesar: L02753...39 total

ref: mol2, SDF, SMILES, flexibase
1.39,3.44,-39.55,0,2,-1, 139.174, 0
ref: mol2, SDF, SMILES, flexibase
1.39,5,-49.19,0,2,-1, 139.174, 0
mid: mol2, SDF, SMILES, flexibase
0.81,3.41,-7.64,0,2,0, 140.182, 1
mid: mol2, SDF, SMILES, flexibase
1.39,3.34,-16.95,1,2,0, 140.182, 1

Similar to: 34597087, 15977263,
39706459
 
#98

AK Scientific: W8877
Aldrich CPR: CDS006615|ALDRICH
Anward: ANW-51339
Ark Pharm Building Blocks: AK-16326
BePharm Building Blocks: B90815...13 total

ref: mol2, SDF, SMILES, flexibase
0.92,3.79,-123.18,4,4,2, 249.358, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.44,-38.72,3,4,1, 248.35, 2
hi: mol2, SDF, SMILES, flexibase
0.92,1.13,-4.14,2,4,0, 247.342, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.5,-41.46,3,4,1, 248.35, 2

Similar to: 45316876, 48779354, 48779356,
39706458
 
#99

AK Scientific: W8877
Aldrich CPR: CDS006615|ALDRICH
Anward: ANW-51339
Ark Pharm Building Blocks: AK-16326
BePharm Building Blocks: B90815...13 total

ref: mol2, SDF, SMILES, flexibase
0.92,3.79,-123.18,4,4,2, 249.358, 2
hi: mol2, SDF, SMILES, flexibase
0.92,1.33,-3.95,2,4,0, 247.342, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.45,-37.32,3,4,1, 248.35, 2
hi: mol2, SDF, SMILES, flexibase
0.92,2.68,-39.78,3,4,1, 248.35, 2

Similar to: 45316876, 48779354, 48779356,
54965254
 
#100

AK Scientific: W8857
Anward: ANW-71454
APIChem: AC-23647
Ark Pharm Building Blocks: AK-83448
BePharm Building Blocks: B84583...16 total

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 = 696 ) limit 0,100

Smiles were