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3861101
 
#1

ChemMol: 83603006
eMolecules: 481686
Molport: MolPort-019-937-663
Acros Organics: 16212
AK Scientific: M301...98 total

ref: mol2, SDF, SMILES, flexibase
0.13,1.44,-39.31,0,2,-1, 95.024, 1
3860798
 
#2

ChemMol: 1201693
eMolecules: 477311
Acorn PharmaTech: ACN-S001976
Acros Organics: 42076, 13972, 21886, 43229
AK Scientific: O567...1067 total

ref: mol2, SDF, SMILES, flexibase
0.48,1.58,-34.03,0,2,-1, 113.014, 1
34603825
 
#3

ChemMol: 44012345, 96706043
AK Scientific: 2580AC
AKOS: AKOS015849157
Aldrich CPR: OMC00004|ALDRICH
Anward: ANW-74468...39 total

ref: mol2, SDF, SMILES, flexibase
1.07,2.99,-48.38,3,1,1, 150.192, 1
330815
 
#4

ChemMol: 51500811, 1203198, 96707989, 30109224, 44006460
Acorn PharmaTech: ACN-S003280
Alfa-Aesar: H32949
Angene Building Blocks: AGN-PC-0JWHUG
Anward: ANW-24886...62 total

ref: mol2, SDF, SMILES, flexibase
0.44,0.98,-31.4,3,2,1, 113.115, 0

Similar to: 39050827,
2582568
 
#5

ChemMol: 44021184
eMolecules: 528692
ACB Blocks: C5A-0391
Acros Organics: 45481
Alfa-Aesar: H25852...65 total

ref: mol2, SDF, SMILES, flexibase
1.41,2.82,-37.24,2,1,1, 140.128, 1

Similar to: 34626340, 34626355, 34626356, 34626357, 34626358, ... 6 in total.
2506707
 
#6

ChemMol: 44021184, 44018476
eMolecules: 528692
Molport: MolPort-002-499-110
ACB Blocks: C5A-0391
Acros Organics: 45481...68 total

ref: mol2, SDF, SMILES, flexibase
1.41,2.79,-37.17,2,1,1, 140.128, 1

Similar to: 2582568, 34626340, 34626355, 34626356, 34626357, ... 6 in total.
1845847
 
#7

eMolecules: 888588
Molport: MolPort-001-773-204
AK Scientific: 7677AE
Aldrich CPR: CDS002643|ALDRICH
Alfa-Aesar: L00773...27 total

ref: mol2, SDF, SMILES, flexibase
-0.28,1.85,-99.08,0,4,-2, 152.052, 3
2599027
 
#8

ChemMol: 97802200, 96705670, 51500741, 42307640, 44007850
eMolecules: 8192579
Molport: MolPort-000-003-904
Acorn PharmaTech: ACN-S004240
AK Scientific: V1654...61 total

ref: mol2, SDF, SMILES, flexibase
0.67,2.38,-47.79,0,3,-1, 140.093, 1

Similar to: 34589078,
4899902
 
#9

ChemMol: 44019977, 97300274, 96708443, 2001015, 97603686, 30109332, 44003609, 44022342
AK Scientific: 9051AB, Z5781, S949
Aldrich CPR: CDS010335|ALDRICH
American Custom Chemicals Corp.: CCH0001282, HCH0009268
Anward: ANW-25611...83 total

ref: mol2, SDF, SMILES, flexibase
-1.71,-0.78,-40.72,2,3,0, 133.122, 1

Similar to: 2583796, 2584017, 2583797,
2243193
 
#10

ChemMol: 2000600, 44012976, 1036162, 44027344, 96705616
AK Scientific: W3148
AKOS: AKOS005063363
Alfa-Aesar: L19555
Angene Building Blocks: AGN-PC-0KKMG3...87 total

ref: mol2, SDF, SMILES, flexibase
0.79,2.6,-43.08,2,1,1, 122.138, 0
19230107
 
#11

ChemMol: 44006897
Molport: MolPort-000-006-539
Acros Organics: 11247
AKOS: AKOS000119052
Alfa-Aesar: A14003...221 total

ref: mol2, SDF, SMILES, flexibase
0.10,1.32,-33.62,1,2,1, 113.184, 0
hi: mol2, SDF, SMILES, flexibase
0.10,-1.16,-1.45,0,2,0, 112.176, 0

Similar to: 39284949, 1706737, 5071679,
2584330
 
#12

ChemMol: 44000162, 97806706, 98002822, 1032251, 1033554, 30100134, 1202727, 1033841
Acros Organics: 44258
AK Scientific: L416
AKOS: AKOS005063842
Alfa-Aesar: B23718...67 total

ref: mol2, SDF, SMILES, flexibase
1.81,1.82,-5.33,1,1,0, 148.083, 0
2243367
 
#13

ChemMol: 97300701, 30116440, 44014886
Acros Organics: MAY00240
AK Scientific: W6806
Aldrich CPR: MNO000040|ALDRICH
Angene Building Blocks: AGN-PC-0SFTAA...39 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.77,-10.72,0,1,0, 285.034, 3
16159976
 
#14

ChemMol: 1031417, 44012280, 30110053, 98002948
eMolecules: 13313076
Molport: MolPort-001-778-560
AK Scientific: W4211
Angene Building Blocks: AGN-PC-01ZMQE...50 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.43,-7.37,0,1,0, 135.141, 0
12958690
 
#15

ChemMol: 1202848, 44005561, 30111740
Molport: MolPort-002-461-986
Anward: ANW-54593
APIChem: AC-6873
Ark Pharm Building Blocks: AK135622...41 total

ref: mol2, SDF, SMILES, flexibase
1.80,1.3,-8.96,1,3,0, 221.178, 4
mid: mol2, SDF, SMILES, flexibase
1.80,1.58,-36.65,2,3,1, 222.186, 4

Similar to: 34225198,
14628559
 
#16

Molport: MolPort-002-498-974
AK Scientific: X8006
Alfa-Aesar: H61502
Anward: ANW-16691
Apollo Scientific: PC6702...45 total

ref: mol2, SDF, SMILES, flexibase
0.28,2.1,-10.6,0,3,0, 106.052, 0

Similar to: 38462353, 8698355,
8698355
 
#17

Molport: MolPort-002-498-974
AK Scientific: X8006
Alfa-Aesar: H61502
Anward: ANW-16691
Apollo Scientific: PC6702...45 total

ref: mol2, SDF, SMILES, flexibase
0.28,2.1,-10.6,0,3,0, 106.052, 0

Similar to: 14628559, 38462353,
2527881
 
#18

ChemMol: 98002409
AK Scientific: V3366
Alfa-Aesar: H26105
American Custom Chemicals Corp.: HCH0314924
Angene Building Blocks: AGN-PC-0KL2B0...31 total

ref: mol2, SDF, SMILES, flexibase
2.68,3.23,-6.13,0,3,0, 220.146, 4
2510719
 
#19

ChemMol: 44011751
AK Scientific: X0335
Alfa-Aesar: H25754
Angene Building Blocks: AGN-PC-0KKZCW
Anward: ANW-48076...41 total

ref: mol2, SDF, SMILES, flexibase
2.51,3.4,-6.64,0,2,0, 192.205, 3
35598495
 
#20

AK Scientific: 5824AB, 1870AE
Aldrich CPR: CDS014242|ALDRICH
Alfa-Aesar: L16819
Anward: ANW-54980
Apollo Scientific: PC3851...34 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.47,-2.74,2,1,0, 149.062, 2

Similar to: 2584332,
2578109
 
#21

eMolecules: 911147
Molport: MolPort-001-772-188
AK Scientific: 8205AE
Apollo Scientific: PC1301
Chembo Pharma: KB-187816...25 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.82,-6.83,0,1,0, 123.077, 2
2540462
 
#22

AK Scientific: Z5225
Angene Building Blocks: AGN-PC-05W5D5
Anward: ANW-44976
Apexmol Building Blocks: AM62398
Apollo Scientific: PC2503...25 total

ref: mol2, SDF, SMILES, flexibase
1.51,3.04,-5.4,0,2,0, 158.082, 0
2599070
 
#23

ChemMol: 1201397, 44009016, 51500848
AK Scientific: 2808AC
AKOS: AKOS005063469
Apollo Scientific: PC2502
Ark Pharm Building Blocks: AK113048...25 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.88,-4.17,0,1,0, 115.082, 0
21985250
 
#24

ChemMol: 30104016, 44028974
AK Scientific: X9808
Aldrich CPR: CDS002742|ALDRICH
Alfa-Aesar: H64833
Angene Building Blocks: AGN-PC-002GGP...39 total

ref: mol2, SDF, SMILES, flexibase
2.68,4.35,-4.23,0,1,0, 181.544, 1
1674837
 
#25

ChemMol: 44007316
Acorn PharmaTech: ACN-S004348
AK Scientific: 4268AB
Anward: ANW-28026
Apollo Scientific: PC9352...37 total

ref: mol2, SDF, SMILES, flexibase
1.21,3.98,-5.26,0,2,0, 120.123, 3

Similar to: 2379402, 34349754, 34349755,
2379402
 
#26

ChemMol: 44007316
Acorn PharmaTech: ACN-S004348
AK Scientific: 4268AB
Anward: ANW-28026
Apollo Scientific: PC9352...39 total

ref: mol2, SDF, SMILES, flexibase
1.21,3.97,-5.26,0,2,0, 120.123, 3

Similar to: 34349754, 34349755, 1674837,
34238148
 
#27

ChemMol: 30111364
AK Scientific: 2385AA
AKOS: AKOS005063421
Amadis Chemical: A848782
APIChem: AC-5025...22 total

ref: mol2, SDF, SMILES, flexibase
2.19,8.67,-15.21,0,2,0, 208.232, 4
hi: mol2, SDF, SMILES, flexibase
2.93,7.55,-46.59,0,2,-1, 207.224, 3
14628882
 
#28

AK Scientific: W4625
Alfa-Aesar: H31544
Angene Building Blocks: AGN-PC-0QZ4I1
Anward: ANW-47298
Apollo Scientific: PC6217...22 total

ref: mol2, SDF, SMILES, flexibase
1.90,8.01,-7.32,0,4,0, 252.257, 10

Similar to: 34398950, 34464783, 38420214, 38420215, 38436379, ... 9 in total.
19615901
 
#29

BOC Sciences BB: 121629-14-9
Chembo Pharma: KB-202957
Fluorochem: 403034
Molport BB: MolPort-006-666-488
Shanghai Sinofluoro Scientific: 3S110108...14 total

ref: mol2, SDF, SMILES, flexibase
2.13,5.6,-7.01,0,2,0, 178.178, 2

Similar to: 36374016, 36374017, 38628929, 39281993, ... 4 in total.
34802160
 
#30

ChemMol: 44022420, 30112258, 83603011
Acorn PharmaTech: ACN-S003856
Acros Organics: 30350
AK Scientific: X7299
AKOS: AKOS002528576...85 total

ref: mol2, SDF, SMILES, flexibase
0.04,-0.41,-2.95,2,1,0, 99.055, 1
19616473
 
#31

Apollo Scientific: PC0973
Chembo Pharma: KB-81987, KB-86893
Combi-Blocks: QB-1774
Molport BB: MolPort-001-771-129
Rare Chemicals: ALBW1045...18 total

ref: mol2, SDF, SMILES, flexibase
0.48,0.11,-3.03,2,1,0, 159.961, 1

Similar to: 8698369,
19616256
 
#32

ChemMol: 44014371, 2101307
eMolecules: 528686
AK Scientific: W5149
Alfa-Aesar: H25751
Angene Building Blocks: AGN-PC-0KKMD8...54 total

ref: mol2, SDF, SMILES, flexibase
0.60,-0.79,-3.72,1,1,0, 93.076, 0
34933668
 
#33

ChemMol: 44029516, 44024130
A&J Pharmtech: AJ-02950, AJ-02951
AK Scientific: X0126
Aldrich CPR: CDS019159|ALDRICH
Alinda Building Blocks: ALBB-016753...90 total

ref: mol2, SDF, SMILES, flexibase
0.44,0.26,-2.64,2,1,0, 113.082, 1

Similar to: 34933671, 2540431, 5370658,
31829500
 
#34

ChemMol: 44014087
Apollo Scientific: PC48304
Capot Chemical: 22649
Fluorochem: 035963
Molport BB: MolPort-006-701-464...14 total

ref: mol2, SDF, SMILES, flexibase
3.13,6.32,-3.09,0,2,0, 180.194, 6

Similar to: 34544344, 34544345, 38254234, 39039173, 52232469, ... 5 in total.
38273174
 
#35

ChemMol: 44017737, 30117271
AK Scientific: Z6161
Amadis Chemical: A848609
Anward: ANW-64856
APIChem: AC-24767...21 total

ref: mol2, SDF, SMILES, flexibase
1.36,5.95,-13.69,0,4,0, 258.201, 8
34933671
 
#36

ChemMol: 44029516, 44024130
AK Scientific: X0126
Aldrich CPR: CDS019159|ALDRICH
Alinda Building Blocks: ALBB-016753
American Custom Chemicals Corp.: HCH0101298...89 total

ref: mol2, SDF, SMILES, flexibase
0.44,0.26,-2.58,2,1,0, 113.082, 1

Similar to: 34933668, 2540431, 5370658,
40186599
 
#37

ChemMol: 98002726
AK Scientific: X8215
Angene Building Blocks: AGN-PC-07HB0I
Anward: ANW-52410
Apexmol Building Blocks: AM20050256...30 total

ref: mol2, SDF, SMILES, flexibase
2.98,2.45,-3.1,1,2,0, 271.032, 3

Similar to: 44198475,
40186598
 
#38

ChemMol: 44013158
AK Scientific: W4564
Angene Building Blocks: AGN-PC-01ZZI3
Anward: ANW-24713
Apexmol Building Blocks: AM84209...28 total

ref: mol2, SDF, SMILES, flexibase
3.43,4.72,-3.36,0,2,0, 269.016, 3
40186597
 
#39

Chembo Pharma: KB-239374
Enamine Building Blocks: EN300-199421
Oakwood Chemical: 043256
Shanghai Sinofluoro Scientific: 3S1210011
Fluorochem (Depleted): 043256...11 total

ref: mol2, SDF, SMILES, flexibase
1.00,1.64,-10.09,2,2,0, 163.167, 1

Similar to: 39281995,
40186596
 
#40

Shanghai Sinofluoro Scientific: 3S110547
Alfa Chemistry (Depleted): ACM1000525621
PubChem: 46941493, 51970826
ref: mol2, SDF, SMILES, flexibase
0.37,5.97,-48.18,0,3,-1, 195.116, 4
2569639
 
#41

AK Scientific: 1907AC
AKOS: AKOS002664192
Apollo Scientific: PC6688
Ark Pharm Building Blocks: AK122044
Chembo Pharma: KB-77224...25 total

ref: mol2, SDF, SMILES, flexibase
2.19,2.44,-1.98,0,2,0, 249.982, 3
1568919
 
#42

Acorn PharmaTech: ACN-S002447
AK Scientific: 7370AE
Apollo Scientific: PC1259
FineTech: FT-0610995
Fluorochem: 009631...23 total

ref: mol2, SDF, SMILES, flexibase
2.50,3.25,-3.49,1,1,0, 208.101, 4
159614
 
#43

ChemMol: 1033129
eMolecules: 720852
Acros Organics: CD10452
AK Scientific: Y3206
Aldrich CPR: MNO000011|ALDRICH...43 total

ref: mol2, SDF, SMILES, flexibase
3.00,2.47,-3.48,0,1,0, 195.571, 1
2506659
 
#44

ChemMol: 1031881, 44006226, 96701219, 30108040, 83602106
eMolecules: 482179
AKOS: AKOS000266022
Alfa-Aesar: H61813
Angene Building Blocks: AGN-PC-0KKMSY...72 total

ref: mol2, SDF, SMILES, flexibase
1.82,7.71,-13.1,0,3,0, 210.204, 5

Similar to: 39037847, 39119779,
1995123
 
#45

Apollo Scientific: PC2849C
Aromalake BB: LS41224
BOC Sciences BB: 1885-48-9
Chembo Pharma: KB-49919
Element Store BB: b2star-1885-48-9...20 total

ref: mol2, SDF, SMILES, flexibase
1.78,1.98,-4.11,0,1,0, 150.046, 3

Similar to: 2576918, 34427860, 38292355,
1605023
 
#46

ChemMol: 97300633, 44001889
Acorn PharmaTech: ACN-S004249, ACN-S004250
Acros Organics: 30764
AK Scientific: W7864
Alfa-Aesar: B20766...53 total

ref: mol2, SDF, SMILES, flexibase
1.07,5.34,-8.8,0,4,0, 178.159, 6

Similar to: 34448734, 34448736,
1023366
 
#47

ChemMol: 30111574, 44016756, 97801594
eMolecules: 861131
Acorn PharmaTech: ACN-S003245, ACN-000531
ACT Chemical BB: ACT07695
AK Scientific: X0156...67 total

ref: mol2, SDF, SMILES, flexibase
0.95,2.93,-5.95,2,3,0, 163.102, 1

Similar to: 34449331,
12360665
 
#48

ChemMol: 83600828, 1033411, 44009480, 30113012
eMolecules: 2904270
Molport: MolPort-002-899-783
Acorn PharmaTech: ACN-S003240, ACN-000528
ACT Chemical BB: ACT06640...81 total

ref: mol2, SDF, SMILES, flexibase
1.25,-0.7,-39.55,0,3,-1, 163.078, 1
mid: mol2, SDF, SMILES, flexibase
0.79,0.43,-19.06,1,3,0, 164.086, 1

Similar to: 34454634, 36457141,
389573
 
#49

ChemMol: 1036751, 44003456, 30103631, 98001580, 1202434
eMolecules: 498610
Molport: MolPort-001-777-789
Acros Organics: 37588
ACT Chemical BB: ACT00950...73 total

ref: mol2, SDF, SMILES, flexibase
1.16,1.72,-6.25,2,2,0, 141.145, 1
409350
 
#50

ChemMol: 44005537, 98000951, 1201091, 1036727, 30106780
A&J Pharmtech: AJ-00424
Acorn PharmaTech: ACN-S002024
Acros Organics: 31193
ACT Chemical BB: ACT11472...66 total

ref: mol2, SDF, SMILES, flexibase
2.60,-0.92,-2.86,2,1,0, 237.015, 0
1081128
 
#51

ChemMol: 97300795, 97800015, 44008085, 30113705
Acorn PharmaTech: ACN-S001972, ACN-S004423
Acros Organics: 37479
ACT Chemical BB: ACT09642
AK Scientific: Q072...64 total

ref: mol2, SDF, SMILES, flexibase
7.89,-1.62,-4.56,0,5,0, 357.253, 5
19735230
 
#52

ChemMol: 30111909, 2001045, 44012977, 96708935, 42303657, 44007227
AK Scientific: W3565
AKOS: AKOS005063366
Aldrich CPR: CDS016868|ALDRICH
Alfa-Aesar: L19780...81 total

ref: mol2, SDF, SMILES, flexibase
0.87,0.41,-2.53,1,1,0, 107.103, 0
19615406
 
#53

ChemMol: 44032424
Chembo Pharma: KB-187448
Shanghai Sinofluoro Scientific: 3S106616
Ark Pharm BB (Depleted): AK126233
PubChem: 25134280...6 total

ref: mol2, SDF, SMILES, flexibase
3.92,6.89,-4.63,0,1,0, 301.489, 3
2598987
 
#54

ChemMol: 30106020, 42307163, 51500634, 1201307, 1032649, 44005072
AKOS: AKOS005063473
Alfa-Aesar: H25771
Angene Building Blocks: AGN-PC-0DBERH
Anward: ANW-21342...61 total

ref: mol2, SDF, SMILES, flexibase
1.32,2.74,-7.1,0,1,0, 115.082, 0
2529895
 
#55

ChemMol: 44007899, 30116618, 83602421
Acros Organics: 44269
Alfa-Aesar: L19539
Angene Building Blocks: AGN-PC-0BTPCQ
Anward: ANW-36115...52 total

ref: mol2, SDF, SMILES, flexibase
1.34,2.87,-2.31,0,1,0, 115.082, 0
152766
 
#56

ChemMol: 30203003, 97800567, 1034220, 98000936, 44034803, 30103356, 1201000, 1034291, 44033525, 96707642
eMolecules: 491558
Acorn PharmaTech: ACN-S003406
Acros Organics: BTB04130
ACT Chemical BB: ACT08250...88 total

ref: mol2, SDF, SMILES, flexibase
1.92,3.52,-6.9,1,2,0, 154.14, 1
409199
 
#57

ChemMol: 97800135, 44001710, 1200875, 30101291, 98000453, 1030149
Acorn PharmaTech: ACN-S003476
AK Scientific: N602
Alfa-Aesar: A18336
Angene Building Blocks: AGN-PC-0JLX3Z...61 total

ref: mol2, SDF, SMILES, flexibase
1.51,1.88,-5.83,1,1,0, 144.12, 1

Similar to: 33798754,
2524878
 
#58

ChemMol: 97802072, 44006468, 30109865
A&J Pharmtech: AJ-02741
Acorn PharmaTech: ACN-S003213
AK Scientific: V1683
AKOS: AKOS005063471...51 total

ref: mol2, SDF, SMILES, flexibase
2.79,0.09,-2.52,0,1,0, 210.433, 0
12359165
 
#59

ChemMol: 1200312, 98002517, 1037272, 44008993
Aldrich CPR: CDS001616|ALDRICH
Alfa-Aesar: H26218
Angene Building Blocks: AGN-PC-0JTCN9
Anward: ANW-27982...50 total

ref: mol2, SDF, SMILES, flexibase
1.34,1.48,-11.35,1,2,0, 140.113, 1
2599022
 
#60

ChemMol: 44012321, 97802199, 51500736, 30112234
Acorn PharmaTech: ACN-S003215
AKOS: AKOS005063482
Aldrich CPR: CDS004604|ALDRICH
Alfa-Aesar: H31130...50 total

ref: mol2, SDF, SMILES, flexibase
1.54,2.74,-4.17,0,1,0, 115.082, 0
2539380
 
#61

ChemMol: 1033136, 30100808, 44009423
AK Scientific: Z1860
Alfa-Aesar: A17285
Anward: ANW-22667
Apexmol Building Blocks: AM84610...45 total

ref: mol2, SDF, SMILES, flexibase
2.52,2.83,-0.73,0,1,0, 185.507, 0
2599002
 
#62

ChemMol: 30106121, 44005139, 51500677
AK Scientific: W5656
Alfa-Aesar: H32124
Angene Building Blocks: AGN-PC-0KKP3X
Anward: ANW-28021...42 total

ref: mol2, SDF, SMILES, flexibase
1.32,2.76,-4.18,0,1,0, 115.082, 0
15999733
 
#63

ChemMol: 44012462, 1202098, 1202097
AK Scientific: Z3193, V1100
Alfa-Aesar: B22545
American Custom Chemicals Corp.: HCH0026001
Angene Building Blocks: AGN-PC-0JMOPN...48 total

ref: mol2, SDF, SMILES, flexibase
1.51,2.92,-3.4,2,3,0, 183.129, 4
1589273
 
#64

Acros Organics: 30736
AK Scientific: 8498AD
Alfa-Aesar: L09688, L10285
American Custom Chemicals Corp.: HCH0040748
Anward: ANW-25769...42 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.8,-3.73,0,2,0, 168.114, 4
19616089
 
#65

ChemMol: 44007410, 1032519, 51500746
AK Scientific: R059
AKOS: AKOS005063465
Alfa-Aesar: H30629
Angene Building Blocks: AGN-PC-00DKI8...54 total

ref: mol2, SDF, SMILES, flexibase
1.03,1.39,-7.35,2,2,0, 112.107, 0

Similar to: 2599031,
165075
 
#66

ChemMol: 44003234, 1031384, 30103419
AK Scientific: N623
Alfa-Aesar: H26894
Angene Building Blocks: AGN-PC-0KK7UP
Anward: ANW-23050...48 total

ref: mol2, SDF, SMILES, flexibase
3.19,4.52,-5.19,0,1,0, 205.566, 1
155280
 
#67

ChemMol: 30103427, 44003239, 1031425, 1200445, 98001494
Acorn PharmaTech: ACN-S004533
AK Scientific: I219
Alfa-Aesar: B20485
Angene Building Blocks: AGN-PC-0JS8MR...54 total

ref: mol2, SDF, SMILES, flexibase
2.68,5.43,-5.86,0,1,0, 189.111, 1
2384032
 
#68

ChemMol: 97802042, 44006830, 30110050, 1031207, 1200431, 98002264
eMolecules: 524146
Acros Organics: 39993
AK Scientific: L720
Alfa-Aesar: H26641...64 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.49,-4.37,0,1,0, 135.141, 0
3880143
 
#69

ChemMol: 30112435, 44013180
eMolecules: 887333
Acros Organics: MO07483
AK Scientific: V1092
Alfa-Aesar: H25767...56 total

ref: mol2, SDF, SMILES, flexibase
1.02,3.08,-9.08,0,2,0, 122.102, 0
156389
 
#70

ChemMol: 97801187, 98001757, 30108668, 44008295, 1201210
Acros Organics: 31190
ACT Chemical BB: ACT01896
Alfa-Aesar: L13955
Anward: ANW-49674...61 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.57,-9.68,0,5,0, 315.347, 4
2512248
 
#71

Acros Organics: 29149
Alfa-Aesar: L17003
Apollo Scientific: PC3728K
Chembo Pharma: KB-64054
Fluorochem: 006211...22 total

ref: mol2, SDF, SMILES, flexibase
-5.16,3.36,-103.59,0,2,2, 180.654, 1
154407
 
#72

ChemMol: 97802017, 1203193, 96708618, 42307092, 44010364, 30110824
Acorn PharmaTech: ACN-S003133
ACT Chemical BB: ACT03099
Alfa-Aesar: L20055
Angene Building Blocks: AGN-PC-0KKYBA...57 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.15,-6.65,0,2,0, 172.109, 1
lo: mol2, SDF, SMILES, flexibase
1.42,4.4,-40.41,1,2,1, 173.117, 1
2557016
 
#73

ChemMol: 44003704, 96705461
eMolecules: 206845978
Molport: MolPort-000-892-064
Acros Organics: 43536
AK Scientific: W3737...61 total

ref: mol2, SDF, SMILES, flexibase
0.95,3.55,-4.56,0,2,0, 168.114, 4

Similar to: 8698358,
1036885
 
#74

ChemMol: 30108695, 1202570, 44006638
eMolecules: 489630
Molport: MolPort-001-777-242
AK Scientific: Q086
Alfa-Aesar: L16196...70 total

ref: mol2, SDF, SMILES, flexibase
-0.02,-0.29,-13.92,2,4,0, 180.085, 1
161359
 
#75

ChemMol: 1035665, 44011483
AK Scientific: V6698
Angene Building Blocks: AGN-PC-0SN3WN
Anward: ANW-32644
Apollo Scientific: PC1931G...32 total

ref: mol2, SDF, SMILES, flexibase
3.96,5.43,-28.93,0,2,-1, 246.595, 1
lo: mol2, SDF, SMILES, flexibase
2.66,5.8,-8.47,1,2,0, 247.603, 1

Similar to: 32266684,
1529153
 
#76

ChemMol: 97801798, 42307079, 44008457, 96701130
Alfa-Aesar: H26996
Anward: ANW-54999
Apollo Scientific: PC5453
Ark Pharm Building Blocks: AK-78783...35 total

ref: mol2, SDF, SMILES, flexibase
2.12,2.61,-5.37,0,2,0, 209.554, 2
2526212
 
#77

ChemMol: 1032537, 97806564, 30104315, 44003878, 1201782
Alfa-Aesar: H25822
Angene Building Blocks: AGN-PC-0LO8GQ
Anward: ANW-22752
Apexmol Building Blocks: AM20050886...66 total

ref: mol2, SDF, SMILES, flexibase
2.69,1.59,-5.98,0,1,0, 225.995, 1
lo: mol2, SDF, SMILES, flexibase
2.69,1.7,-36.21,1,1,1, 227.003, 1

Similar to: 39340757, 39340759,
154403
 
#78

ChemMol: 97801799, 44022723
Acorn PharmaTech: ACN-S004039
AK Scientific: V5654
Angene Building Blocks: AGN-PC-0KKYB1
Anward: ANW-44107...45 total

ref: mol2, SDF, SMILES, flexibase
0.49,0.52,-8.59,2,3,0, 190.124, 2

Similar to: 38258747,
2526214
 
#79

ChemMol: 1033177, 2000128, 44003689, 96707870, 30104021
Acros Organics: SPB05802
AK Scientific: V1374
Alfa-Aesar: H25749
Angene Building Blocks: AGN-PC-0KL1YT...57 total

ref: mol2, SDF, SMILES, flexibase
2.81,1.58,-6.38,0,1,0, 225.995, 1
lo: mol2, SDF, SMILES, flexibase
2.81,1.64,-30.1,1,1,1, 227.003, 1

Similar to: 38416407,
12359082
 
#80

ChemMol: 1033159, 96707888, 2000214, 2100785, 51502061
eMolecules: 526973
AK Scientific: V0755
Alfa-Aesar: H25756
Anward: ANW-31085...54 total

ref: mol2, SDF, SMILES, flexibase
1.67,-0.41,-5.46,1,2,0, 163.098, 1
19616079
 
#81

ChemMol: 51502060, 44008435, 96707793, 2100780, 30109860, 97801050, 1032517
Molport: MolPort-020-313-675, MolPort-000-001-280
Acorn PharmaTech: ACN-S003754
Acros Organics: 44264
ACT Chemical BB: ACT01432...83 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.45,-5.2,2,2,0, 162.114, 1
4244987
 
#82

ChemMol: 2000129, 97802382, 96709498, 30110842, 44003670, 1202563
Acorn PharmaTech: ACN-S004396
Acros Organics: 44214, NP44214
AK Scientific: Q966
AKOS: AKOS005063356...72 total

ref: mol2, SDF, SMILES, flexibase
2.64,1.77,-3.85,0,1,0, 225.995, 1
lo: mol2, SDF, SMILES, flexibase
2.64,1.82,-31.24,1,1,1, 227.003, 1
154421
 
#83

ChemMol: 2000026, 30110792, 44001775, 97801802, 1032535, 2100718, 96708268
eMolecules: 526081
Acorn PharmaTech: ACN-S003610
ACT Chemical BB: ACT01371
AK Scientific: R953...72 total

ref: mol2, SDF, SMILES, flexibase
1.32,1.63,-6.58,2,2,0, 162.114, 1
mid: mol2, SDF, SMILES, flexibase
1.32,1.88,-31.06,3,2,1, 163.122, 1
2584286
 
#84

ChemMol: 96707701, 97800793, 30103409, 2100782, 42306985, 1201303, 44003221
eMolecules: 891680
A&J Pharmtech: AJ-00048
Acros Organics: 45479
ACT Chemical BB: ACT10096...64 total

ref: mol2, SDF, SMILES, flexibase
2.56,2.3,-3.8,0,1,0, 181.544, 1
154429
 
#85

ChemMol: 96708272, 2000025, 30110822, 44008441, 1032523, 97801804
Molport: MolPort-000-002-880
Acorn PharmaTech: ACN-S003607
AK Scientific: X9210
AKOS: AKOS005063464...59 total

ref: mol2, SDF, SMILES, flexibase
2.12,0.28,-6.91,2,2,0, 196.559, 1
16159704
 
#86

ChemMol: 30116735, 44027212
eMolecules: 14091440
Molport: MolPort-001-777-583
Acros Organics: MAY00192
ACT Chemical BB: ACT06695...45 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.02,-5.34,0,2,0, 177.125, 2
lo: mol2, SDF, SMILES, flexibase
1.89,3.28,-30.83,1,2,1, 178.133, 2
19616126
 
#87

ChemMol: 30116543, 44027045, 2100784
eMolecules: 14091430
Molport: MolPort-003-993-624
Acros Organics: MAY00128
ACT Chemical BB: ACT06711...40 total

ref: mol2, SDF, SMILES, flexibase
2.05,3.66,-4.41,0,1,0, 165.089, 1
8698400
 
#88

ChemMol: 96707887, 1201717, 30108080, 51502062, 97806566
Molport: MolPort-023-220-163
Acorn PharmaTech: ACN-S003318
AKOS: AKOS001434019
Aldrich CPR: CDS012590|ALDRICH...68 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.46,-15.17,1,2,0, 163.098, 1
19616188
 
#89

ChemMol: 2100786
AK Scientific: V1372
Ark Pharm Building Blocks: AK111317
BePharm Building Blocks: B76380
Chembo Pharma: KB-173501...19 total

ref: mol2, SDF, SMILES, flexibase
1.94,2.21,-4.07,0,2,0, 177.125, 2
163228
 
#90

ChemMol: 83602827, 1033140, 96707886, 30104026, 44003694, 2000157, 2100795
eMolecules: 722187
Acros Organics: RF04123
ACT Chemical BB: ACT10403
AK Scientific: V1385...57 total

ref: mol2, SDF, SMILES, flexibase
1.28,3.94,-7.08,0,2,0, 172.109, 1
lo: mol2, SDF, SMILES, flexibase
1.28,4.21,-50.77,1,2,1, 173.117, 1
154405
 
#91

ChemMol: 2101167, 30116565, 83600677, 1202952, 44024812, 97804948
Acorn PharmaTech: ACN-S003062
AK Scientific: W5929
AKOS: AKOS005063357
Alfa-Aesar: H64054...57 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.56,-8.15,0,2,0, 175.109, 2
2168608
 
#92

ChemMol: 96705403, 97800794, 30100726, 1201306, 30203712, 44008050, 1032559
eMolecules: 501249
Acros Organics: 24178
AKOS: AKOS000119135
Alfa-Aesar: L08207...81 total

ref: mol2, SDF, SMILES, flexibase
2.62,2.26,-3.59,0,1,0, 181.544, 1

Similar to: 34558549, 39050701, 39340769,
16158134
 
#93

ChemMol: 44012973, 98002914
ACT Chemical BB: ACT03042
AK Scientific: X3094
Alfa-Aesar: H60426
Angene Building Blocks: AGN-PC-0N6K9M...41 total

ref: mol2, SDF, SMILES, flexibase
1.33,-1.14,-5.81,2,2,0, 128.102, 0
2556420
 
#94

ChemMol: 98001821, 30110386, 44012178, 1202447, 1036803, 1037029
AK Scientific: V1276
Aldrich CPR: CDS004708|ALDRICH
Alfa-Aesar: H26174
Anward: ANW-23534...47 total

ref: mol2, SDF, SMILES, flexibase
2.72,-0.01,-3.74,2,2,0, 256.021, 2
163156
 
#95

ChemMol: 1034142, 30100323, 1202374, 44006736, 98000886
eMolecules: 493049
Alfa-Aesar: A10341
Anward: ANW-26764
Apexmol Building Blocks: AM20060284...61 total

ref: mol2, SDF, SMILES, flexibase
3.56,5.91,-5.99,0,1,0, 256.145, 3

Similar to: 39953664,
2575686
 
#96

ChemMol: 30103426
Alfa-Aesar: H26499
Angene Building Blocks: AGN-PC-0KL1IT
Anward: ANW-15237
Apexmol Building Blocks: AM61275...38 total

ref: mol2, SDF, SMILES, flexibase
3.81,2.71,-2.21,0,1,0, 258.996, 2

Similar to: 34627573,
2525281
 
#97

AK Scientific: 8002AD
Aldrich CPR: CDS004758|ALDRICH
Apollo Scientific: PC5516
Chembo Pharma: KB-54239
Combi-Blocks: QA-7318...22 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.11,-4.74,0,2,0, 156.103, 4
1666908
 
#98

AK Scientific: 1868AE
AKOS: AKOS004904114
Alfa-Aesar: L11150
American Custom Chemicals Corp.: HCH0316240
Angene Building Blocks: AGN-PC-0JK98X...52 total

ref: mol2, SDF, SMILES, flexibase
0.97,-0.02,-4.68,1,1,0, 114.066, 1
2040700
 
#99

AK Scientific: Z2134, 1868AE
AKOS: AKOS004904114
Alfa-Aesar: L11150
American Custom Chemicals Corp.: HCH0009381
Angene Building Blocks: AGN-PC-0JK98X...53 total

ref: mol2, SDF, SMILES, flexibase
0.97,0.02,-3.02,1,1,0, 114.066, 1
4290166
 
#100

ChemMol: 44010885
Acorn PharmaTech: ACN-S003524
AK Scientific: 6346AB
AKOS: AKOS000278596
Alfa-Aesar: B21460...38 total

ref: mol2, SDF, SMILES, flexibase
1.15,0.73,-4.76,1,1,0, 128.093, 3

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 = 280 ) limit 0,100

Smiles were