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332779
 
#1

Chembo Pharma: KB-00317
Enamine Building Blocks: EN300-134699
Molport BB: MolPort-003-801-651
Ryan Scientific BB: 073-51471
Specs Building Blocks: AE-848/32936042...13 total

ref: mol2, SDF, SMILES, flexibase
0.95,2.35,-7.74,2,3,0, 174.203, 2
mid: mol2, SDF, SMILES, flexibase
0.95,2.82,-32.74,3,3,1, 175.211, 2

Similar to: 34474930, 34474931,
310640
 
#2

eMolecules: 829057
AKOS: AKOS000268220
ChemBridge: 6994011
IBScreen: STOCK3S-42280
Innovapharm: STT-00011664...22 total

ref: mol2, SDF, SMILES, flexibase
3.97,7.41,-12.28,0,4,0, 292.433, 4

Similar to: 25493056,
13305653
 
#3

eMolecules: 26303363
Molport: MolPort-002-353-333, MolPort-019-723-959
AKOS: AKOS000267939, AKOS003590897
ChemDiv: 3343-3619
IBScreen: STOCK3S-37451...29 total

ref: mol2, SDF, SMILES, flexibase
1.66,5.88,-11.07,3,4,0, 248.355, 3
ref: mol2, SDF, SMILES, flexibase
1.66,6.06,-10.51,3,4,0, 248.355, 3
lo: mol2, SDF, SMILES, flexibase
1.66,6.16,-46.25,4,4,1, 249.363, 3
13305656
 
#4

eMolecules: 26303363
Molport: MolPort-002-353-333, MolPort-019-723-959
AKOS: AKOS000267939, AKOS003590897
ChemDiv: 3343-3619
IBScreen: STOCK3S-37451...29 total

ref: mol2, SDF, SMILES, flexibase
1.66,5.89,-10.91,3,4,0, 248.355, 3
ref: mol2, SDF, SMILES, flexibase
1.66,6.11,-10.52,3,4,0, 248.355, 3
lo: mol2, SDF, SMILES, flexibase
1.66,6.18,-46.25,4,4,1, 249.363, 3
19862807
 
#5

ChemMol: 51501166
eMolecules: 830442
AKOS: AKOS000267422
Chembo Pharma: KB-215227
Fluorochem: 024646...46 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.23,-4.87,1,2,0, 210.28, 1
mid: mol2, SDF, SMILES, flexibase
1.98,5.66,-35.98,2,2,1, 211.288, 1

Similar to: 34679603, 34679604, 19862805, 64877, 64879, ... 5 in total.
19862805
 
#6

ChemMol: 51501166
eMolecules: 830442
AKOS: AKOS000267422
Chembo Pharma: KB-215227
Fluorochem: 024646...45 total

ref: mol2, SDF, SMILES, flexibase
1.98,5.07,-4.59,1,2,0, 210.28, 1

Similar to: 19862807, 34679603, 34679604,
332849
 
#7

Aldrich CPR: CDS013460|ALDRICH
Chembo Pharma: KB-220563
Molport BB: MolPort-000-873-565
NCI Plated 2007: 38487
Ryan Scientific BB: 073-54220...13 total

ref: mol2, SDF, SMILES, flexibase
-0.05,0.61,-12.58,2,3,0, 170.237, 2
332848
 
#8

AK Scientific: W6109
AKOS: AKOS002663118
Anward: ANW-47205
Ark Pharm Building Blocks: AK-49767
BePharm Building Blocks: B164179...20 total

ref: mol2, SDF, SMILES, flexibase
1.46,5.49,-9.02,0,3,0, 199.275, 4

Similar to: 36221034,
64998
 
#9

eMolecules: 828983
Scientific Exchange (make on demand): F-351800
AK Scientific: V7426
AKOS: AKOS000268313
Aldrich CPR: CDS006021|ALDRICH...63 total

ref: mol2, SDF, SMILES, flexibase
1.30,5.53,-10.66,0,4,0, 180.598, 1
mid: mol2, SDF, SMILES, flexibase
1.30,6.04,-43.47,1,4,1, 181.606, 1
332846
 
#10

Molport BB: MolPort-000-873-436
Ryan Scientific BB: 073-47442
Specs Building Blocks: AF-399/25051013
Innovapharm BB Make on Demand: BBV-00000823
ChemDB: 6177347...10 total

ref: mol2, SDF, SMILES, flexibase
2.12,-3.18,-7.01,2,5,0, 231.255, 3
1671163
 
#11

Molport: MolPort-000-873-331
AK Scientific: 4708AE
AKOS: AKOS002662834
Alinda Building Blocks: ALBB-018574
ChemDiv BuildingBlocks: BB57-2399...19 total

ref: mol2, SDF, SMILES, flexibase
0.02,-0.74,-12.19,2,3,0, 142.183, 2
17108599
 
#12

eMolecules: 828556, 5473712
Molport: MolPort-000-874-658
AKOS: AKOS000267894, AKOS001663241
IBScreen: STOCK3S-43517
Innovapharm: STT-00011409...37 total

ref: mol2, SDF, SMILES, flexibase
0.13,3.1,-16.29,2,5,0, 201.251, 4
mid: mol2, SDF, SMILES, flexibase
0.13,3.26,-33.59,3,5,1, 202.259, 4
332842
 
#13

AKOS: AKOS000268213
Florida Heterocyclic Compounds: 21430
Innovapharm: STT-00137903
Innovapharm Building Blocks: BBS-00000423
Molport BB: MolPort-000-478-275...13 total

ref: mol2, SDF, SMILES, flexibase
2.74,-0.55,-6.97,0,2,0, 188.683, 2

Similar to: 25493056,
1529072
 
#14

ChemMol: 44001896, 83602525, 96700456, 30101430, 1033326
eMolecules: 831374
Molport: MolPort-000-002-938
Acros Organics: 44255
AKOS: AKOS000111361...92 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.57,-6.8,0,2,0, 142.589, 0

Similar to: 32192456, 39238537,
1466077
 
#15

ChemMol: 51501160
eMolecules: 829496
Molport: MolPort-000-869-424
Scientific Exchange (make on demand): F-139307, M-982096
AKOS: AKOS000266790...51 total

ref: mol2, SDF, SMILES, flexibase
1.11,4.45,-15.12,1,2,0, 162.217, 0
19735578
 
#16

ChemMol: 96700907
eMolecules: 1358847, 15208073
Molport: MolPort-002-500-641
Scientific Exchange (make on demand): K-004107
AK Scientific: V5927...70 total

ref: mol2, SDF, SMILES, flexibase
0.16,1.85,-8.87,0,3,0, 176.647, 1

Similar to: 37833788, 42462917,
91759
 
#17

eMolecules: 684902
AKOS: AKOS001062766
Aldrich CPR: R855626|ALDRICH
ChemBridge: 7141895
Mcule: MCULE-4724622130...17 total

ref: mol2, SDF, SMILES, flexibase
4.88,-0.23,-11.25,0,4,0, 332.384, 4

Similar to: 7980497,
2024697
 
#18

Mcule: MCULE-9207954986
Specs Building Blocks: AF-399/15394019
UORSY: PB56962320
Innovapharm Make-on-Demand: VT-00043300
ChemDB: 6430854...8 total

ref: mol2, SDF, SMILES, flexibase
4.58,3.07,-12.92,1,4,0, 329.783, 5

Similar to: 4226091,
19798196
 
#19

eMolecules: 2720327
Molport: MolPort-002-702-143
AKOS: AKOS003653892
BioBlocks: A1786/0075647
BioBlocks BB: ZERO/003075...20 total

ref: mol2, SDF, SMILES, flexibase
-0.30,0.17,-8.02,2,11,0, 309.286, 5

Similar to: 1238597,
4087538
 
#20

eMolecules: 2753897
Molport: MolPort-000-909-335
Scientific Exchange (make on demand): R-013131
AKOS: AKOS003258147
BioBlocks: A1919/0080688...19 total

ref: mol2, SDF, SMILES, flexibase
3.01,-1.27,-10.57,2,6,0, 338.791, 7

Similar to: 4087536,
4087536
 
#21

eMolecules: 2753897
Molport: MolPort-000-909-335
Scientific Exchange (make on demand): R-013131
AKOS: AKOS003258147
BioBlocks: A1919/0080688...19 total

ref: mol2, SDF, SMILES, flexibase
3.01,-1.1,-8.62,2,6,0, 338.791, 7

Similar to: 4087538,
67626
 
#22

eMolecules: 846457
Molport: MolPort-000-889-143
Scientific Exchange (make on demand): R-030896
AKOS: AKOS000307654
BioBlocks: A1734/0073689...20 total

ref: mol2, SDF, SMILES, flexibase
4.66,1.97,-10.01,0,3,0, 331.202, 4
4491525
 
#23

eMolecules: 8606516
Molport: MolPort-001-023-104
Scientific Exchange (make on demand): Z-074357
AKOS: AKOS000342793
Mcule: MCULE-7121039565...15 total

ref: mol2, SDF, SMILES, flexibase
1.87,-2.56,-7.62,2,5,0, 298.77, 7

Similar to: 32130424,
19798189
 
#24

eMolecules: 1343968
Molport: MolPort-001-758-206
AKOS: AKOS000547118
Asinex: BAS01578339
BioBlocks: A1195/0055044...26 total

ref: mol2, SDF, SMILES, flexibase
0.08,1.1,-7.75,2,11,0, 323.313, 6

Similar to: 34925464,
690235
 
#25

eMolecules: 2720157
Molport: MolPort-002-697-797
AKOS: AKOS003654311
BioBlocks: A1251/0057195
BioBlocks BB: ZERO/001924...21 total

ref: mol2, SDF, SMILES, flexibase
1.92,-0.8,-6.04,2,10,0, 355.358, 6

Similar to: 708807,
2024944
 
#26

eMolecules: 1344040
Molport: MolPort-001-965-754
AKOS: AKOS000547017
Asinex: BAS01578585
BioBlocks: A1573/0068547...21 total

ref: mol2, SDF, SMILES, flexibase
0.68,2.21,-5.45,2,9,0, 250.218, 5

Similar to: 8548575, 32213683,
268088
 
#27

Specs Building Blocks: AG-205/11236628
ChemDB: 6733667
PubChem: 4056979, 40516945
ref: mol2, SDF, SMILES, flexibase
2.52,-0.54,-17.02,2,4,0, 288.734, 4

Similar to: 7386599, 7386602,
268086
 
#28

Specs Building Blocks: AG-205/11236628
ChemDB: 6733667
PubChem: 4056979, 40516944
ref: mol2, SDF, SMILES, flexibase
2.52,-0.95,-9.86,2,4,0, 288.734, 4
2024939
 
#29

eMolecules: 13734637
Molport: MolPort-003-801-740
AKOS: AKOS001721590
ChemDiv: 8006-8031
Mcule: MCULE-7920996736...11 total

ref: mol2, SDF, SMILES, flexibase
4.91,1.6,-14.74,2,4,0, 328.456, 9

Similar to: 34622073,
1079250
 
#30

eMolecules: 2720301
Molport: MolPort-002-697-183
AKOS: AKOS001710760
BioBlocks: A1177/0054604
Chemical Block: A1177/0054604...17 total

ref: mol2, SDF, SMILES, flexibase
0.13,-0.7,-6.54,3,8,0, 210.197, 2
2942902
 
#31

Scientific Exchange (make on demand): POD_92/0824
AKOS: AKOS000345854
Specs Building Blocks: AG-205/09359063
TimTec Make-on-Demand: OVS20683870
ChemDB: 4341310...8 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.61,-10.79,3,5,0, 284.315, 5

Similar to: 41962136, 41962139,
2942900
 
#32

Scientific Exchange (make on demand): POD_92/0824
AKOS: AKOS000345854
Specs Building Blocks: AG-205/09359063
TimTec Make-on-Demand: OVS20683870
ChemDB: 4341310...8 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.5,-10.74,3,5,0, 284.315, 5

Similar to: 41962136, 41962139,
226821
 
#33

eMolecules: 1417824
Molport: MolPort-001-988-541
Scientific Exchange Building Blocks: Z-000905
AK Scientific: 8523AB
AKOS: AKOS000104260...44 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.81,-9.25,0,3,0, 213.236, 4

Similar to: 6320019, 8701577, 31679779, 31682372, 31979869, ... 10 in total.
2024932
 
#34

eMolecules: 4482880
Molport: MolPort-019-723-792
Scientific Exchange (make on demand): POD_89/0660
AKOS: AKOS000346580
American Custom Chemicals Corp.: HCH0124889...25 total

ref: mol2, SDF, SMILES, flexibase
3.14,-1.82,-9.03,2,5,0, 325.771, 4

Similar to: 32234558,
2944345
 
#35

eMolecules: 1223169
Molport: MolPort-001-016-473
Scientific Exchange (make on demand): POD_80/0474
AKOS: AKOS000340513
Asinex: BAS00447870...19 total

ref: mol2, SDF, SMILES, flexibase
3.05,-1.25,-7.22,2,4,0, 316.788, 4

Similar to: 16637038, 20807094,
19938704
 
#36

Specs Building Blocks: AG-205/08594045
PubChem: 16740198
ref: mol2, SDF, SMILES, flexibase
3.04,6.74,-18.2,1,6,0, 299.378, 3

Similar to: 4087381, 4199674,
219635
 
#37

eMolecules: 522898
Scientific Exchange (make on demand): R-034768
ACB Blocks: FAL-0018
AKOS: AKOS000108205
Alinda: IVK/6023620...51 total

ref: mol2, SDF, SMILES, flexibase
4.19,2.24,-12.68,0,2,0, 241.073, 2
3658264
 
#38

eMolecules: 6724957
Molport: MolPort-002-684-731
Scientific Exchange (make on demand): Z-085721
AKOS: AKOS001710220
American Custom Chemicals Corp.: HCH0125381...19 total

ref: mol2, SDF, SMILES, flexibase
3.25,-1.08,-9.03,2,5,0, 315.76, 4

Similar to: 4230154, 4259346, 33700519, 33788401, ... 5 in total.
6556327
 
#39

American Custom Chemicals Corp.: HCH0132494
Labotest: LT00144566
Specs Building Blocks: AG-205/07769034
TimTec: ST50995723
ChemDB: 6502504...9 total

ref: mol2, SDF, SMILES, flexibase
3.11,9.42,-17.69,1,4,0, 325.799, 4
333122
 
#40

Molport BB: MolPort-003-801-737
Ryan Scientific BB: 073-46897
Specs Building Blocks: AG-205/07694003
PubChem: 818321, 11835588
SureChEMBL: SCHEMBL15330918...6 total

ref: mol2, SDF, SMILES, flexibase
4.74,2.65,-8.44,0,3,0, 348.833, 3
333125
 
#41

Molport BB: MolPort-003-801-737
Ryan Scientific BB: 073-46897
Specs Building Blocks: AG-205/07694003
PubChem: 818322, 11835588
SureChEMBL: SCHEMBL15330918...6 total

ref: mol2, SDF, SMILES, flexibase
4.74,2.62,-8.63,0,3,0, 348.833, 3
3141342
 
#42

Labotest: LT00087637
Mcule: MCULE-9154425359
Molport BB: MolPort-003-801-735
Specs Building Blocks: AG-205/07677030
TimTec Building Blocks: SBB001143...9 total

ref: mol2, SDF, SMILES, flexibase
0.56,-5.06,-8.95,4,7,0, 281.655, 2
2024904
 
#43

Scientific Exchange (make on demand): POD_89/0335
Aldrich CPR: L270458|ALDRICH
American Custom Chemicals Corp.: HCH0124822
Specs Building Blocks: AG-205/07670023
TimTec: ST4001385...11 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.49,-10.89,2,7,0, 345.742, 4

Similar to: 2379939, 2383771, 33788279,
218307
 
#44

AKOS: AKOS001703860
Alinda Building Blocks: ALBB-027841
KaironKem: K965
Molport BB: MolPort-001-786-993
PBMR Labs Building Blocks: RBK_054934...14 total

ref: mol2, SDF, SMILES, flexibase
1.62,4.82,-33,0,4,0, 236.23, 2

Similar to: 4137196, 38585937,
151794
 
#45

eMolecules: 858204
Scientific Exchange: Z-026438
AKOS: AKOS000273764
Aldrich CPR: OTV000378|ALDRICH
Chembo Pharma: KB-28507...31 total

ref: mol2, SDF, SMILES, flexibase
2.69,-3.5,-7.53,2,3,0, 295.914, 1
250118
 
#46

ChemMol: 44030302
eMolecules: 1189573
Molport: MolPort-005-310-742, MolPort-000-924-010
AK Scientific: V3767
AKOS: AKOS000301777...62 total

ref: mol2, SDF, SMILES, flexibase
2.56,-1.38,-6.62,0,3,0, 197.669, 1

Similar to: 32231154, 32231156, 34422994, 34422995, 34423007, ... 18 in total.
1512442
 
#47

Molport BB: MolPort-003-715-939
Ryan Scientific BB: 073-53931
Specs Building Blocks: AG-205/06527033
ChemDB: 5622912
PubChem: 5013687...6 total

ref: mol2, SDF, SMILES, flexibase
1.53,0.79,-9.42,1,5,0, 249.675, 3
119878
 
#48

ChemMol: 30102930, 44002951
eMolecules: 488188
Scientific Exchange (make on demand): X-047702
Acros Organics: SB01058, 19478
AK Scientific: M313...73 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.88,-6.77,2,5,0, 209.201, 4

Similar to: 32221714, 34455660, 38434114, 39385723, ... 4 in total.
78174
 
#49

eMolecules: 827097
Scientific Exchange: POD_11/0886
ACB Blocks: MIX-0934
AK Scientific: V6202
AKOS: AKOS000115978...63 total

ref: mol2, SDF, SMILES, flexibase
2.08,-2.74,-7.73,2,3,0, 205.286, 0
lo: mol2, SDF, SMILES, flexibase
2.08,-2.6,-34.12,3,3,1, 206.294, 0
lo: mol2, SDF, SMILES, flexibase
2.08,-2.58,-27.64,3,3,1, 206.294, 0

Similar to: 5390721, 5847261, 5850371, 7980751, 31862606, ... 8 in total.
5687386
 
#50

ChemMol: 44007539, 30108789, 96700793
eMolecules: 1156518
Molport: MolPort-001-524-405
Scientific Exchange (make on demand): H-006363
AKOS: AKOS000540866...66 total

ref: mol2, SDF, SMILES, flexibase
2.04,4.53,-11.27,1,3,0, 272.045, 0

Similar to: 6622454,
392734
 
#51

AK Scientific: 9327AE
Aldrich CPR: S261769|ALDRICH
Alinda Building Blocks: ALBB-013686
ChemDiv BuildingBlocks: BB55-7256
Fluorochem: 369776...18 total

ref: mol2, SDF, SMILES, flexibase
3.08,-0.26,-7.68,1,2,0, 264.122, 1

Similar to: 5160617,
246806
 
#52

eMolecules: 2015154
Molport: MolPort-002-114-334
Scientific Exchange (make on demand): M-118062
AKOS: AKOS003435335
American Custom Chemicals Corp.: CCH0007070...32 total

ref: mol2, SDF, SMILES, flexibase
3.33,1.29,-8.69,0,3,0, 251.285, 3

Similar to: 24360340, 25382096, 25382349, 34220367, 34399033, ... 6 in total.
16248586
 
#53

eMolecules: 7414971
Molport: MolPort-019-723-409, MolPort-003-906-340
Scientific Exchange (make on demand): F-183807
AK Scientific: V5460
Alinda: IBS-L0126443...70 total

ref: mol2, SDF, SMILES, flexibase
-1.16,-0.37,-27.1,5,3,1, 106.174, 2
ref: mol2, SDF, SMILES, flexibase
-0.46,-0.32,-26.72,5,3,1, 106.174, 1
ref: mol2, SDF, SMILES, flexibase
-0.46,-0.52,-26.94,5,3,1, 106.174, 1
hi: mol2, SDF, SMILES, flexibase
-1.16,-0.48,-8.86,4,3,0, 105.166, 2
83820
 
#54

ChemMol: 30200850, 30102032, 83601787, 96700076, 44002383, 97800201, 1036398
eMolecules: 537990
Molport: MolPort-001-011-849
Scientific Exchange (make on demand): POD_10/0303
Acros Organics: 11860...93 total

ref: mol2, SDF, SMILES, flexibase
2.61,0.9,-5.94,1,3,0, 189.214, 3

Similar to: 34530599, 38422421, 39241268, 39249133, 39258389, ... 5 in total.
134409
 
#55

eMolecules: 5360995
Scientific Exchange (make on demand): X-074771
AK Scientific: 8720AA
AKOS: AKOS002315053
Aldrich CPR: PH006900|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.04,-11.11,1,4,0, 193.202, 3

Similar to: 5742823, 34937745,
167633
 
#56

ChemMol: 44016823
eMolecules: 1249739
AF ChemPharm: CP/3V-023
AKOS: AKOS000283139
Alfa-Aesar: H60088...39 total

ref: mol2, SDF, SMILES, flexibase
3.09,9.7,-9.29,0,2,0, 208.264, 2
lo: mol2, SDF, SMILES, flexibase
3.09,10.18,-33.73,1,2,1, 209.272, 2

Similar to: 34569697,
4087508
 
#57

ChemMol: 96707935
AKOS: AKOS003621872
Innovapharm: STT-00027855
Innovapharm Building Blocks: BBS-00022493
Molport BB: MolPort-003-801-725...10 total

ref: mol2, SDF, SMILES, flexibase
5.51,1,-4.05,0,1,0, 290.834, 4

Similar to: 36883110, 36883122,
41740
 
#58

Scientific Exchange (make on demand): POD_91/0903
AK Scientific: 5402AB
Angene Building Blocks: AGN-PC-0JUTFB
Ark Pharm Building Blocks: AK-54045
BePharm Building Blocks: B141170...26 total

ref: mol2, SDF, SMILES, flexibase
3.87,5.12,-50.4,0,5,-1, 332.792, 3
1670356
 
#59

Molport: MolPort-003-661-852
AK Scientific: W7470
AKOS: AKOS004907337
Anward: ANW-74975
Ark Pharm Building Blocks: AK-80347...35 total

ref: mol2, SDF, SMILES, flexibase
3.56,1.15,-3.24,0,1,0, 215.09, 1

Similar to: 5863243, 34527856, 35803748, 35898578, 39271329, ... 6 in total.
570547
 
#60

ChemMol: 98002384, 1202436, 44027134, 30104362
AK Scientific: W4097
AKOS: AKOS003198309
Aldrich CPR: CDS000045|ALDRICH
Angene Building Blocks: AGN-PC-0JYLYY...52 total

ref: mol2, SDF, SMILES, flexibase
1.81,-1.53,-4.85,2,2,0, 202.051, 1

Similar to: 39264200, 39590917,
98387
 
#61

ChemMol: 51500218
eMolecules: 973355
Scientific Exchange (make on demand): Z-022448
AKOS: AKOS000672240
Alinda: IBS-L0007985...47 total

ref: mol2, SDF, SMILES, flexibase
1.76,6.06,-12.63,0,5,0, 233.223, 4

Similar to: 11514132, 39023680, 39041968,
333110
 
#62

eMolecules: 874912
Molport: MolPort-000-882-560
Scientific Exchange (make on demand): F-416728
AK Scientific: X7133
AKOS: AKOS000275015...54 total

ref: mol2, SDF, SMILES, flexibase
1.39,5.14,-12.81,0,5,0, 219.196, 3

Similar to: 11514132, 39023680, 39041968,
8614564
 
#63

ChemMol: 96700676
eMolecules: 1883555
Molport: MolPort-001-012-743
Scientific Exchange (make on demand): POD_35/0960
AK Scientific: Y6072...77 total

ref: mol2, SDF, SMILES, flexibase
1.41,-1.47,-8.76,2,4,0, 161.164, 1

Similar to: 34633372, 34633409, 34633410, 34963604, 39269433, ... 6 in total.
901469
 
#64

eMolecules: 3404544
Molport: MolPort-002-496-000
AK Scientific: K323, 1581AB
AKOS: AKOS002346584
Aldrich CPR: T331058|ALDRICH...186 total

ref: mol2, SDF, SMILES, flexibase
-3.25,4.73,-27.22,0,1,1, 94.137, 0
331069
 
#65

ChemMol: 51500091, 44024280
AK Scientific: W6851
AKOS: AKOS005146008
Angene Building Blocks: AGN-PC-0OC10H
Anward: ANW-45693...45 total

ref: mol2, SDF, SMILES, flexibase
0.60,2.51,-25.1,1,3,0, 146.149, 0
hi: mol2, SDF, SMILES, flexibase
1.06,2.1,-40.81,0,3,-1, 145.141, 0
lo: mol2, SDF, SMILES, flexibase
1.06,0.59,-33.52,2,3,1, 147.157, 0
353516
 
#66

Molport BB: MolPort-003-809-309
Ryan Scientific BB: 073-52457
Specs Building Blocks: AF-936/31262044
ChemDB: 6432876
PubChem: 830651...7 total

ref: mol2, SDF, SMILES, flexibase
1.80,-3.76,-15.79,0,5,0, 264.306, 3
331945
 
#67

ChemMol: 44013747, 30114100
eMolecules: 3499732
Molport: MolPort-002-344-055
Scientific Exchange (make on demand): POD_32/0882
AK Scientific: W3282...83 total

ref: mol2, SDF, SMILES, flexibase
1.14,3.53,-8.54,2,3,0, 145.165, 0
lo: mol2, SDF, SMILES, flexibase
1.14,3.82,-28.14,3,3,1, 146.173, 0
lo: mol2, SDF, SMILES, flexibase
1.14,0.15,-30.7,3,3,1, 146.173, 0

Similar to: 5740884, 6257760, 39268352,
4086009
 
#68

Molport: MolPort-019-723-545
Molport BB: MolPort-019-723-545
Ryan Scientific BB: 073-48032
Specs Building Blocks: AF-886/30574011
ChemDB: 6422380...6 total

ref: mol2, SDF, SMILES, flexibase
4.35,4.92,-8.38,3,5,0, 297.749, 3
ref: mol2, SDF, SMILES, flexibase
4.35,6.83,-8.74,3,5,0, 297.749, 3
mid: mol2, SDF, SMILES, flexibase
4.35,6.69,-9.05,3,5,0, 297.749, 3
mid: mol2, SDF, SMILES, flexibase
4.35,4.76,-7.37,3,5,0, 297.749, 3
lo: mol2, SDF, SMILES, flexibase
3.62,6.85,-26.81,4,5,1, 298.757, 3
4086008
 
#69

Molport: MolPort-019-723-544
Molport BB: MolPort-019-723-544
Ryan Scientific BB: 073-48031
Specs Building Blocks: AF-886/30572044
ChemDB: 6422378...6 total

ref: mol2, SDF, SMILES, flexibase
4.22,4.29,-8.97,3,6,0, 307.357, 4
ref: mol2, SDF, SMILES, flexibase
4.22,6.25,-9.97,3,6,0, 307.357, 4
mid: mol2, SDF, SMILES, flexibase
4.22,6.11,-9.03,3,6,0, 307.357, 4
mid: mol2, SDF, SMILES, flexibase
4.22,4.78,-7.97,3,6,0, 307.357, 4
lo: mol2, SDF, SMILES, flexibase
4.22,6.31,-32.88,4,6,1, 308.365, 4
lo: mol2, SDF, SMILES, flexibase
4.22,4.74,-30.76,4,6,1, 308.365, 4
4086006
 
#70

Molport: MolPort-019-723-538
Molport BB: MolPort-019-723-538
Ryan Scientific BB: 073-48009
Specs Building Blocks: AF-886/30569003
ChemDB: 6422376...6 total

ref: mol2, SDF, SMILES, flexibase
5.03,7.35,-7.51,3,5,0, 332.194, 3
ref: mol2, SDF, SMILES, flexibase
5.03,5.49,-7.14,3,5,0, 332.194, 3
mid: mol2, SDF, SMILES, flexibase
5.03,7.22,-8.32,3,5,0, 332.194, 3
mid: mol2, SDF, SMILES, flexibase
5.03,5.28,-7.1,3,5,0, 332.194, 3
lo: mol2, SDF, SMILES, flexibase
4.30,7.87,-27.12,4,5,1, 333.202, 3
4087500
 
#71

Molport: MolPort-019-723-830
Molport BB: MolPort-019-723-830
Ryan Scientific BB: 073-51081
Specs Building Blocks: AF-886/30567027
ChemDB: 6422375...6 total

ref: mol2, SDF, SMILES, flexibase
5.06,11.05,-10.44,2,5,0, 339.402, 4
ref: mol2, SDF, SMILES, flexibase
5.06,9.7,-11.03,2,5,0, 339.402, 4
333098
 
#72

Molport: MolPort-019-724-077
American Custom Chemicals Corp.: HCH0128722
Molport BB: MolPort-019-724-077
Ryan Scientific BB: 073-53182
Specs Building Blocks: AF-886/30565058...8 total

ref: mol2, SDF, SMILES, flexibase
2.57,-4.64,-8.36,4,6,0, 306.54, 3

Similar to: 6453188, 34828507,
333095
 
#73

Molport: MolPort-019-723-883
American Custom Chemicals Corp.: HCH0125865
Molport BB: MolPort-019-723-883
Ryan Scientific BB: 073-50242
Specs Building Blocks: AF-886/30565050...8 total

ref: mol2, SDF, SMILES, flexibase
1.71,-4.38,-10.72,4,6,0, 251.677, 3
333090
 
#74

Molport: MolPort-019-723-535
American Custom Chemicals Corp.: NEW0090645
Molport BB: MolPort-019-723-535
Ryan Scientific BB: 073-48006
Specs Building Blocks: AF-886/30565034...8 total

ref: mol2, SDF, SMILES, flexibase
0.74,0.47,-11.79,4,7,0, 233.231, 4

Similar to: 34577417,
333083
 
#75

American Custom Chemicals Corp.: HCH0126388
Specs Building Blocks: AF-886/30565029
ChemDB: 6422368
PubChem: 5409072, 818308
ref: mol2, SDF, SMILES, flexibase
1.49,-5.73,-10.52,4,6,0, 282.101, 3

Similar to: 5944830,
333079
 
#76

Molport: MolPort-019-749-121
Specs Building Blocks: AF-886/30565027
PubChem: 5409070
ref: mol2, SDF, SMILES, flexibase
1.13,1.85,-10.34,4,6,0, 217.232, 3
333077
 
#77

Specs Building Blocks: AF-886/30565016
PubChem: 5409069
ref: mol2, SDF, SMILES, flexibase
1.34,1.7,-10.33,4,6,0, 237.65, 3
333073
 
#78

Molport: MolPort-019-724-076
American Custom Chemicals Corp.: HCH0125545
Molport BB: MolPort-019-724-076
Ryan Scientific BB: 073-53181
Specs Building Blocks: AF-886/30565010...8 total

ref: mol2, SDF, SMILES, flexibase
1.31,1.73,-11.59,4,6,0, 237.65, 3
18176329
 
#79

eMolecules: 6752012
Molport: MolPort-003-801-700, MolPort-002-701-037, MolPort-001-523-862
American Custom Chemicals Corp.: NEW0067177
BioBlocks: A1689/0072137
ChemDiv: 8008-2137...21 total

ref: mol2, SDF, SMILES, flexibase
-0.28,1.21,-14.54,5,7,0, 232.247, 3
ref: mol2, SDF, SMILES, flexibase
-0.28,1.27,-19.44,5,7,0, 232.247, 3
mid: mol2, SDF, SMILES, flexibase
0.98,1.12,-46.67,4,7,-1, 231.239, 3
mid: mol2, SDF, SMILES, flexibase
1.71,-0.44,-32.04,6,7,1, 233.255, 3
hi: mol2, SDF, SMILES, flexibase
-1.54,1.31,-20.58,5,7,0, 232.247, 3
5027271
 
#80

Molport: MolPort-003-801-696, MolPort-001-990-106
AKOS: AKOS000505974
Asinex: BAS03242150
Specs Building Blocks: AF-886/30564018
TimTec: ST50271129...8 total

ref: mol2, SDF, SMILES, flexibase
0.29,2.52,-14.26,5,6,0, 236.666, 2
mid: mol2, SDF, SMILES, flexibase
2.28,2.13,-34.13,6,6,1, 237.674, 2
mid: mol2, SDF, SMILES, flexibase
1.55,2.36,-43.75,4,6,-1, 235.658, 2
hi: mol2, SDF, SMILES, flexibase
1.55,2.3,-46,4,6,-1, 235.658, 2
hi: mol2, SDF, SMILES, flexibase
-0.96,2.4,-21.85,5,6,0, 236.666, 2
17312777
 
#81

ChemMol: 51501658
eMolecules: 26811977
Molport: MolPort-002-684-988, MolPort-000-920-543
American Custom Chemicals Corp.: NEW0072379
BioBlocks: A0313/0014315...33 total

ref: mol2, SDF, SMILES, flexibase
0.92,1.95,-20.7,5,6,0, 202.221, 2
ref: mol2, SDF, SMILES, flexibase
1.65,1.53,-10.09,5,6,0, 202.221, 2
ref: mol2, SDF, SMILES, flexibase
-0.34,1.97,-17.87,5,6,0, 202.221, 2
mid: mol2, SDF, SMILES, flexibase
1.65,1.57,-33.93,6,6,1, 203.229, 2
mid: mol2, SDF, SMILES, flexibase
0.92,1.82,-46.05,4,6,-1, 201.213, 2
mid: mol2, SDF, SMILES, flexibase
1.65,0.22,-31.16,6,6,1, 203.229, 2
hi: mol2, SDF, SMILES, flexibase
-1.59,1.96,-18.65,5,6,0, 202.221, 2

Similar to: 38441637,
3848454
 
#82

eMolecules: 886938
Molport: MolPort-001-757-009
Scientific Exchange (make on demand): T-060958
AK Scientific: 6608AE
AKOS: AKOS003261393...56 total

ref: mol2, SDF, SMILES, flexibase
0.01,-0.71,-7.91,2,3,0, 111.1, 1
333069
 
#83

ChemMol: 30105352, 44004559, 1203177, 83602344, 97800353
eMolecules: 537605
Molport: MolPort-001-760-364
A&J Pharmtech: AJ-02736
Acros Organics: 11372...88 total

ref: mol2, SDF, SMILES, flexibase
2.35,3.61,-5.24,0,1,0, 147.992, 0
84933
 
#84

ChemMol: 44002389, 1201743, 30102042
eMolecules: 503026
Acorn PharmaTech: ACN-S002508, ACN-S001580
Acros Organics: 24702
AKOS: AKOS000120311...73 total

ref: mol2, SDF, SMILES, flexibase
3.17,-0.16,-2.39,0,1,0, 182.437, 0
18115182
 
#85

ChemMol: 96700704, 1201515, 1036017, 44013292, 44008090
eMolecules: 519597, 840029
Acros Organics: 12097
AKOS: AKOS000269651, AKOS015920049
Alfa-Aesar: A18324...153 total

ref: mol2, SDF, SMILES, flexibase
1.04,1.7,-102.18,2,3,2, 134.138, 0
ref: mol2, SDF, SMILES, flexibase
1.07,1.31,-8.15,2,3,0, 134.138, 0
2024821
 
#86

Molport BB: MolPort-003-801-692
Ryan Scientific BB: 073-47756
Specs Building Blocks: AF-833/13843006
ChemDB: 6432763
PubChem: 1712918...7 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.51,-12.46,0,3,0, 222.675, 3

Similar to: 34420648, 34593365,
2024818
 
#87

Molport BB: MolPort-003-801-691
Ryan Scientific BB: 073-52053
Specs Building Blocks: AF-833/12533010
PubChem: 1712917
ref: mol2, SDF, SMILES, flexibase
1.64,0.25,-10.94,0,4,0, 252.701, 3

Similar to: 31952,
19938678
 
#88

Specs Building Blocks: AF-833/12533009
PubChem: 16740196
ref: mol2, SDF, SMILES, flexibase
2.92,8.99,-11.05,0,4,0, 314.772, 4

Similar to: 6582772, 6582773,
333068
 
#89

Molport BB: MolPort-003-801-689
Ryan Scientific BB: 073-51200
Specs Building Blocks: AF-826/30393054
PubChem: 6401339
ref: mol2, SDF, SMILES, flexibase
3.02,-3.26,-15.21,3,7,0, 337.383, 6
163358
 
#90

AK Scientific: 9643AA
Ark Pharm Building Blocks: AK122442
FineTech: FT-0629724
Florida Heterocyclic Compounds: 33726
Fluorochem: 032574...25 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.1,-4.72,0,2,0, 122.171, 1
lo: mol2, SDF, SMILES, flexibase
0.97,3.38,-28.44,1,2,1, 123.179, 1

Similar to: 39051635,
19015182
 
#91

ChemMol: 51500827, 44002454, 1201676, 30102114, 42307670
eMolecules: 717415
Acros Organics: 36062
AKOS: AKOS002664881
Alfa-Aesar: L19521...80 total

ref: mol2, SDF, SMILES, flexibase
1.09,1.28,-3.94,2,2,0, 173.013, 0
5162174
 
#92

ChemMol: 51503047
AK Scientific: 5205AB
Anward: ANW-62643
Ark Pharm Building Blocks: AK101820
BePharm Building Blocks: B233359...21 total

ref: mol2, SDF, SMILES, flexibase
2.08,4.94,-7.11,0,1,0, 147.152, 0
lo: mol2, SDF, SMILES, flexibase
2.08,5.23,-32.78,1,1,1, 148.16, 0

Similar to: 6118035, 34594977, 38207291, 38763034, ... 4 in total.
8581876
 
#93

eMolecules: 1296387
Molport: MolPort-002-120-638
Scientific Exchange (make on demand): F-415756
AK Scientific: Z6582
AKOS: AKOS000618449...59 total

ref: mol2, SDF, SMILES, flexibase
1.88,5.52,-14.48,1,2,0, 238.084, 0
290659
 
#94

AK Scientific: V6456
AKOS: AKOS002683332
Aldrich CPR: BBO000022|ALDRICH
Angene Building Blocks: AGN-PC-0OBV9V
Anward: ANW-31718...40 total

ref: mol2, SDF, SMILES, flexibase
4.08,-0.43,-3.95,0,1,0, 256.53, 0
331138
 
#95

ChemMol: 51501530, 1203600
AK Scientific: X3334
Angene Building Blocks: AGN-PC-0JTPB0
Anward: ANW-56734
Apexmol Building Blocks: AM804253...48 total

ref: mol2, SDF, SMILES, flexibase
3.87,-0.13,-4.4,0,1,0, 198.052, 0

Similar to: 34477957,
4087479
 
#96

Molport: MolPort-001-766-062, MolPort-019-724-202
Scientific Exchange (make on demand): POD_11/0528
AKOS: AKOS003620873
Aldrich CPR: R247650|ALDRICH
American Custom Chemicals Corp.: HCH0005562...37 total

ref: mol2, SDF, SMILES, flexibase
4.62,1.51,-7.39,0,1,0, 287.156, 3

Similar to: 4748002, 5378722, 6095732, 6340721, 38637290, ... 6 in total.
8628503
 
#97

eMolecules: 15963857
AK Scientific: 6554AA, 1910AB
Alinda Building Blocks: ALBB-005502
Anward: ANW-69397
Ark Pharm Building Blocks: AK-28708...42 total

ref: mol2, SDF, SMILES, flexibase
1.32,5.83,-14.09,1,4,0, 217.224, 3
mid: mol2, SDF, SMILES, flexibase
2.62,5.41,-39.47,0,4,-1, 216.216, 3
mid: mol2, SDF, SMILES, flexibase
2.62,3.65,-9.03,1,4,0, 217.224, 3

Similar to: 31067760, 31068450, 31068583, 31068705, 31068762, ... 10 in total.
8649323
 
#98

eMolecules: 5646126
AKOS: AKOS000273771
Chembo Pharma: KB-248986, KB-45634
Innovapharm: STT-00237184
Innovapharm Building Blocks: BBS-00009386...35 total

ref: mol2, SDF, SMILES, flexibase
2.58,7.15,-16.36,1,3,0, 251.285, 2

Similar to: 13111139, 32265411, 38791922,
57165
 
#99

ChemMol: 98000816, 30101134
eMolecules: 592321
Molport: MolPort-001-535-125
Scientific Exchange (make on demand): Q-019269
TCM Database @ Taiwan: 27227...68 total

ref: mol2, SDF, SMILES, flexibase
1.74,4.28,-8.19,0,5,0, 226.228, 5

Similar to: 6483615, 6521563, 34219136, 34220081, 34220082, ... 7 in total.
330978
 
#100

Molport: MolPort-002-487-793
AK Scientific: W5580
AKOS: AKOS008901089
Anward: ANW-53800
Ark Pharm Building Blocks: AK-25809...34 total

ref: mol2, SDF, SMILES, flexibase
3.07,-0.72,-2.2,0,1,0, 264.948, 0
lo: mol2, SDF, SMILES, flexibase
3.07,-0.7,-27.79,1,1,1, 265.956, 0

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 370 ) limit 0,100

Smiles were