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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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70670081
 
#1

IBScreen NP: STOCK1N-22445
ref: mol2, SDF, SMILES, flexibase
4.50,13.12,-20.17,3,9,0, 603.76, 9
36368057
 
#2

eMolecules: 4792593
Molport: MolPort-002-513-527
IBScreen NP: STOCK1N-23624
Pharmeks: PHAR025744
ref: mol2, SDF, SMILES, flexibase
1.53,6.79,-48.6,3,8,-1, 366.353, 3
mid: mol2, SDF, SMILES, flexibase
1.53,7.67,-36.52,4,8,0, 367.361, 3
mid: mol2, SDF, SMILES, flexibase
1.53,7.55,-105.5,2,8,-2, 365.345, 3

Similar to: 36368059, 36368054, 36368056, 12659846, 12659848, ... 7 in total.
70670143
 
#3

eMolecules: 4192140
IBScreen NP: STOCK1N-24835
Princeton BioMolecular Research: OSSK_533036
Vitas-M: STK143049
ChemDB: 5701175...7 total

ref: mol2, SDF, SMILES, flexibase
6.23,15.29,-21.18,1,7,0, 554.687, 9

Similar to: 8695629, 8695630, 8695631, 8695632, ... 4 in total.
19318708
 
#4

eMolecules: 206969138, 4793664
Molport: MolPort-002-514-030
ChemDiv: 4817-1498
IBScreen NP: STOCK1N-25476
Pharmeks: PHAR021793...10 total

ref: mol2, SDF, SMILES, flexibase
2.51,6.9,-39.71,1,3,1, 277.432, 1
hi: mol2, SDF, SMILES, flexibase
2.51,4.99,-3.66,0,3,0, 276.424, 1
lo: mol2, SDF, SMILES, flexibase
2.51,6.83,-37.83,1,3,1, 277.432, 1
70670187
 
#5

eMolecules: 17667086
IBScreen NP: STOCK1N-26221
PubChem: 42648564
ref: mol2, SDF, SMILES, flexibase
1.15,7.72,-18.01,1,7,0, 318.329, 6
1671872
 
#6

eMolecules: 731400
IBScreen NP: STOCK1N-26962
ChemDB: 4562486
PubChem: 237066
ref: mol2, SDF, SMILES, flexibase
8.33,14.33,-11.59,0,6,0, 546.704, 9
70670228
 
#7

eMolecules: 4794773
IBScreen NP: STOCK1N-27230
PubChem: 3278884
ref: mol2, SDF, SMILES, flexibase
3.87,12.22,-12.9,0,9,0, 571.674, 9
mid: mol2, SDF, SMILES, flexibase
3.87,14.13,-46.98,1,9,1, 572.682, 9
61878107
 
#8

eMolecules: 25893039
Molport: MolPort-002-514-533
IBScreen NP: STOCK1N-27264
Mcule: MCULE-2468221503
BindingDB.org: 89770...10 total

ref: mol2, SDF, SMILES, flexibase
0.30,6.99,-47.17,1,7,-1, 324.353, 7
mid: mol2, SDF, SMILES, flexibase
0.84,5.52,-124.03,0,7,-2, 323.345, 7
mid: mol2, SDF, SMILES, flexibase
0.25,7.49,-31.56,0,7,0, 324.353, 7

Similar to: 35003042,
36368056
 
#9

eMolecules: 4792593
Molport: MolPort-002-513-527
IBScreen NP: STOCK1N-23624
Pharmeks: PHAR025744
ref: mol2, SDF, SMILES, flexibase
1.53,6.01,-56.19,3,8,-1, 366.353, 3
mid: mol2, SDF, SMILES, flexibase
1.53,7.26,-42.4,4,8,0, 367.361, 3
mid: mol2, SDF, SMILES, flexibase
1.53,6.76,-102.58,2,8,-2, 365.345, 3

Similar to: 36368057, 36368059, 36368054, 12659846, 12659848, ... 7 in total.
70670142
 
#10

eMolecules: 4793135
IBScreen NP: STOCK1N-24780
ref: mol2, SDF, SMILES, flexibase
4.59,8.88,-7.04,0,7,0, 587.055, 3
19319738
 
#11

eMolecules: 206983962
Molport: MolPort-002-514-089
IBScreen NP: STOCK1N-25641
Pharmeks: PHAR032912
ref: mol2, SDF, SMILES, flexibase
2.81,9.18,-39.25,1,4,1, 338.475, 3
mid: mol2, SDF, SMILES, flexibase
2.81,7.43,-5.83,0,4,0, 337.467, 3

Similar to: 39950938, 39951057, 39951173, 39951262, 39951368, ... 5 in total.
13772069
 
#12

IBScreen NP: STOCK1N-26042
ref: mol2, SDF, SMILES, flexibase
2.01,6.59,-55.69,1,10,-1, 489.545, 9
mid: mol2, SDF, SMILES, flexibase
2.01,5.36,-107.16,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
2.01,6.4,-114.39,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
2.01,7.33,-127.86,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
1.09,7.82,-17.83,2,10,0, 490.553, 9
mid: mol2, SDF, SMILES, flexibase
2.01,7.34,-119.98,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
2.01,7.75,-116.72,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
2.01,7.81,-130.34,0,10,-2, 488.537, 9
hi: mol2, SDF, SMILES, flexibase
2.01,6.72,-124.34,0,10,-2, 488.537, 9
hi: mol2, SDF, SMILES, flexibase
2.01,6.39,-24.19,0,10,0, 488.537, 9
70670217
 
#13

eMolecules: 4794695
IBScreen NP: STOCK1N-27159
ref: mol2, SDF, SMILES, flexibase
4.36,13.83,-14.59,1,8,0, 560.654, 6
mid: mol2, SDF, SMILES, flexibase
3.66,11.29,-51.76,0,8,-1, 559.646, 6
lo: mol2, SDF, SMILES, flexibase
4.36,15.36,-49.39,2,8,1, 561.662, 6
70669862
 
#14

eMolecules: 26404536
IBScreen NP: STOCK1N-15264
ChemDB: 4558927
PubChem: 6808457, 6353506
ref: mol2, SDF, SMILES, flexibase
3.64,8.88,-20.95,1,10,0, 544.608, 8
mid: mol2, SDF, SMILES, flexibase
3.64,11.08,-61.3,2,10,1, 545.616, 8
20111334
 
#15

eMolecules: 26404606
Molport: MolPort-002-511-963
IBScreen NP: STOCK1N-15767
SMDC Public: 733978
ref: mol2, SDF, SMILES, flexibase
2.26,11.77,-60.55,1,5,1, 421.561, 4
mid: mol2, SDF, SMILES, flexibase
2.26,11.94,-56.62,1,5,1, 421.561, 4
mid: mol2, SDF, SMILES, flexibase
2.26,9.56,-19.6,0,5,0, 420.553, 4

Similar to: 33916275, 33916276, 33916277, 33916278, ... 4 in total.
20111381
 
#16

eMolecules: 35779702
IBScreen NP: STOCK1N-16198
ChemDB: 4559085
ref: mol2, SDF, SMILES, flexibase
8.26,16.44,-11.68,2,4,0, 440.635, 10
hi: mol2, SDF, SMILES, flexibase
8.26,16.77,-29.47,3,4,1, 441.643, 10
hi: mol2, SDF, SMILES, flexibase
5.26,16.72,-10.66,3,4,0, 440.635, 10

Similar to: 38290941,
12428237
 
#17

eMolecules: 1061784
Molport: MolPort-001-815-917
Scientific Exchange (make on demand): POD_29/0670
Aldrich CPR: S540668|ALDRICH
Chembo Pharma: KB-47158...13 total

ref: mol2, SDF, SMILES, flexibase
-1.40,2.44,-16.25,3,6,0, 151.129, 0
mid: mol2, SDF, SMILES, flexibase
-1.40,2.86,-56.42,4,6,1, 152.137, 0
lo: mol2, SDF, SMILES, flexibase
-1.40,2.66,-46.18,4,6,1, 152.137, 0
lo: mol2, SDF, SMILES, flexibase
-1.40,3.12,-121.35,5,6,2, 153.145, 0

Similar to: 33748054, 49586633, 5163081,
4011509
 
#18

eMolecules: 4789726
IBScreen NP: STOCK1N-16862
ref: mol2, SDF, SMILES, flexibase
8.43,16.91,-19.7,1,4,0, 555.803, 2
70669933
 
#19

IBScreen NP: STOCK1N-17083
ref: mol2, SDF, SMILES, flexibase
8.45,17.6,-9.7,0,4,0, 512.775, 6
70669950
 
#20

eMolecules: 26405036
IBScreen NP: STOCK1N-17433
ChemDB: 4559491
PubChem: 3748712
ref: mol2, SDF, SMILES, flexibase
7.07,15.01,-17.15,2,7,0, 552.756, 16
70669971
 
#21

eMolecules: 4790258
IBScreen NP: STOCK1N-18092
ChemDB: 4559676
ref: mol2, SDF, SMILES, flexibase
2.39,8.83,-35.42,1,11,0, 543.598, 6
hi: mol2, SDF, SMILES, flexibase
2.39,6.83,-42.53,0,11,-1, 542.59, 6
hi: mol2, SDF, SMILES, flexibase
2.39,6.93,-42.58,0,11,-1, 542.59, 6
38201335
 
#22

eMolecules: 4790427
Molport: MolPort-002-512-524
IBScreen NP: STOCK1N-18477
ref: mol2, SDF, SMILES, flexibase
5.79,13.79,-42.48,1,3,1, 390.547, 3
mid: mol2, SDF, SMILES, flexibase
5.79,11.43,-9.1,0,3,0, 389.539, 3

Similar to: 38549946, 38549948, 38549949, 61991224, ... 15 in total.
70670008
 
#23

eMolecules: 26405447
IBScreen NP: STOCK1N-19093
ref: mol2, SDF, SMILES, flexibase
4.84,9.98,-16.39,1,9,0, 499.608, 4

Similar to: 16036446, 16036447,
70670020
 
#24

IBScreen NP: STOCK1N-19417
ref: mol2, SDF, SMILES, flexibase
4.99,15.24,-50.24,0,7,-1, 529.694, 5
12370966
 
#25

eMolecules: 26405755, 26653714
AKOS: AKOS001691102
American Custom Chemicals Corp.: CHM0273486
ChemDiv: 5695-0550
IBScreen NP: STOCK1N-20389...16 total

ref: mol2, SDF, SMILES, flexibase
5.73,7.46,-26.11,2,5,1, 374.416, 4
ref: mol2, SDF, SMILES, flexibase
5.73,7,-26.78,2,5,1, 374.416, 4

Similar to: 16693240, 16693276, 16693281, 16693287, 16693302, ... 5 in total.
70670058
 
#26

IBScreen NP: STOCK1N-21255
ref: mol2, SDF, SMILES, flexibase
7.84,18.65,-47.77,0,6,-1, 583.83, 9
70670070
 
#27

eMolecules: 4791764
IBScreen NP: STOCK1N-21631
ChemDB: 4560663
PubChem: 5134181
ref: mol2, SDF, SMILES, flexibase
3.01,11.45,-40.67,3,8,0, 544.627, 7
mid: mol2, SDF, SMILES, flexibase
3.01,12.81,-68.01,3,8,0, 544.627, 7
hi: mol2, SDF, SMILES, flexibase
3.01,10.47,-54.89,2,8,-1, 543.619, 7
lo: mol2, SDF, SMILES, flexibase
3.01,13.79,-73.45,4,8,1, 545.635, 7
70670072
 
#28

eMolecules: 4791764
IBScreen NP: STOCK1N-21631
ChemDB: 4560663
PubChem: 5134181
ref: mol2, SDF, SMILES, flexibase
3.01,11.83,-37.16,3,8,0, 544.627, 7
mid: mol2, SDF, SMILES, flexibase
3.01,13.18,-78.19,3,8,0, 544.627, 7
hi: mol2, SDF, SMILES, flexibase
3.01,10.84,-54.44,2,8,-1, 543.619, 7
lo: mol2, SDF, SMILES, flexibase
3.01,14.17,-82.42,4,8,1, 545.635, 7
20112047
 
#29

Molport: MolPort-002-513-388
IBScreen NP: STOCK1N-22844
SMDC Public: 734452
ref: mol2, SDF, SMILES, flexibase
3.48,11.96,-44.46,1,6,1, 451.587, 4
mid: mol2, SDF, SMILES, flexibase
3.48,12.06,-47.15,1,6,1, 451.587, 4
mid: mol2, SDF, SMILES, flexibase
3.48,9.74,-10.74,0,6,0, 450.579, 4

Similar to: 33578016, 33578017, 33578018,
2126313
 
#30

eMolecules: 26406560
IBScreen NP: STOCK1N-23990
ChemDB: 4561267
PubChem: 4671533, 1780947
ref: mol2, SDF, SMILES, flexibase
3.14,8.81,-32.66,1,11,0, 564.668, 7
mid: mol2, SDF, SMILES, flexibase
3.60,7.26,-71.62,0,11,-1, 563.66, 7
485574
 
#31

eMolecules: 4793297
IBScreen NP: STOCK1N-25020
ChemDB: 4561624
PubChem: 4358846
ref: mol2, SDF, SMILES, flexibase
0.01,6.5,-24.03,1,7,0, 270.285, 6
70670171
 
#32

eMolecules: 26407163
IBScreen NP: STOCK1N-25778
ref: mol2, SDF, SMILES, flexibase
0.99,-0.78,-14.28,4,7,0, 333.425, 10
70670195
 
#33

eMolecules: 4794341
IBScreen NP: STOCK1N-26399
ChemDB: 4562325
PubChem: 1795402, 3796831
ref: mol2, SDF, SMILES, flexibase
0.14,5.33,-36.75,0,13,-1, 578.352, 2
210083
 
#34

eMolecules: 2569463
ChemBridge: 6046298
IBScreen BuildingBlocks: BB_NC-02626
IBScreen NP: STOCK1N-27265
Mcule: MCULE-5006516462...21 total

ref: mol2, SDF, SMILES, flexibase
2.58,6.09,-8.32,1,2,0, 185.226, 0

Similar to: 34427571, 34427573, 34455359,
53006806
 
#35

eMolecules: 29534026
AK Scientific: O212, X6763
American Custom Chemicals Corp.: API0004215
APIChem: AC-13570
Ark Pharm Building Blocks: AK115166...89 total

70670104
 
#36

eMolecules: 26406347
IBScreen NP: STOCK1N-23179
ref: mol2, SDF, SMILES, flexibase
-1.32,-2.83,-15.39,5,14,0, 546.618, 13
70670158
 
#37

eMolecules: 4793614
IBScreen NP: STOCK1N-25416
ChemDB: 4561830
PubChem: 3737352
ref: mol2, SDF, SMILES, flexibase
4.64,11.67,-55.56,3,10,-1, 554.664, 16
35361477
 
#38

Molport: MolPort-002-514-195
IBScreen NP: STOCK1N-25979
ChEMBL12: CHEMBL1490255
Collaborative Drug Discovery: 1530605
PubChem: 11873984...7 total

ref: mol2, SDF, SMILES, flexibase
3.59,7.02,-11.21,4,4,0, 361.555, 2

Similar to: 33937450, 33937451, 33937452, 4028980, 12478178, ... 5 in total.
70670207
 
#39

IBScreen NP: STOCK1N-26996
ref: mol2, SDF, SMILES, flexibase
6.21,16.49,-15.64,1,6,0, 603.844, 9
19320181
 
#40

eMolecules: 206961629
Molport: MolPort-002-514-011
IBScreen NP: STOCK1N-25427
Pharmeks: PHAR060179
ref: mol2, SDF, SMILES, flexibase
2.28,7.17,-34.71,1,5,1, 354.474, 3
hi: mol2, SDF, SMILES, flexibase
2.28,4.92,-8.76,0,5,0, 353.466, 3
lo: mol2, SDF, SMILES, flexibase
2.28,9.43,-104.07,2,5,2, 355.482, 3
lo: mol2, SDF, SMILES, flexibase
2.28,7.14,-33.65,1,5,1, 354.474, 3
22938912
 
#41

eMolecules: 2340223, 206962417, 48555620
Molport: MolPort-002-138-374, MolPort-008-346-826
ChemBridge: 5232549
Florida Heterocyclic Compounds: 29964
IBScreen: STOCK1S-91274...26 total

ref: mol2, SDF, SMILES, flexibase
1.61,1.84,-5.51,1,4,0, 257.337, 1
lo: mol2, SDF, SMILES, flexibase
1.61,5.8,-120.78,3,4,2, 259.353, 1

Similar to: 39647925,
22457812
 
#42

eMolecules: 2357774
Molport: MolPort-002-153-571
IBScreen NP: STOCK1N-24416
TimTec: ST50909048
Vitas-M: STK395405...9 total

ref: mol2, SDF, SMILES, flexibase
1.90,5.15,-39.16,1,3,1, 257.357, 1
hi: mol2, SDF, SMILES, flexibase
1.90,3.32,-4.26,0,3,0, 256.349, 1

Similar to: 32219407, 32267581, 32271839,
70670132
 
#43

eMolecules: 26406704
IBScreen NP: STOCK1N-24472
ref: mol2, SDF, SMILES, flexibase
3.05,10.68,-14.92,0,9,0, 522.288, 10

Similar to: 8385810, 8385811, 8385812, 8385813, ... 4 in total.
70670133
 
#44

eMolecules: 26406704
IBScreen NP: STOCK1N-24472
ref: mol2, SDF, SMILES, flexibase
3.05,10.42,-12.95,0,9,0, 522.288, 10

Similar to: 8385810, 8385811, 8385812, 8385813, ... 4 in total.
70670181
 
#45

eMolecules: 26407263
IBScreen NP: STOCK1N-26042
PubChem: 5902732
ref: mol2, SDF, SMILES, flexibase
1.09,7.95,-51.37,1,10,-1, 489.545, 9
mid: mol2, SDF, SMILES, flexibase
2.01,6.66,-107.94,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
1.09,7.1,-17.43,2,10,0, 490.553, 9
mid: mol2, SDF, SMILES, flexibase
2.01,6.74,-124.02,0,10,-2, 488.537, 9
mid: mol2, SDF, SMILES, flexibase
2.01,5.66,-114.02,0,10,-2, 488.537, 9
70670204
 
#46

eMolecules: 35779993
IBScreen NP: STOCK1N-26877
PubChem: 42648566
ref: mol2, SDF, SMILES, flexibase
6.10,21.44,-31.67,0,3,1, 450.772, 19
70670095
 
#47

eMolecules: 26406313
IBScreen NP: STOCK1N-23049
ref: mol2, SDF, SMILES, flexibase
-3.44,-6.86,-17.75,5,16,0, 550.562, 13
20112183
 
#48

eMolecules: 26406595
Molport: MolPort-002-513-633
IBScreen NP: STOCK1N-24128
SMDC Public: 734229
ref: mol2, SDF, SMILES, flexibase
5.32,17.01,-42.24,1,4,1, 485.692, 5
mid: mol2, SDF, SMILES, flexibase
5.32,16.74,-38.42,1,4,1, 485.692, 5
mid: mol2, SDF, SMILES, flexibase
5.32,14.9,-9.33,0,4,0, 484.684, 5
1453808
 
#49

eMolecules: 4192580
IBScreen NP: STOCK1N-25787
Princeton BioMolecular Research: OSSK_533037
Vitas-M: STK137581
ChemDB: 5697174...8 total

ref: mol2, SDF, SMILES, flexibase
3.57,13.66,-61.04,1,9,-1, 555.607, 8
lo: mol2, SDF, SMILES, flexibase
3.57,11.69,-21.58,2,9,0, 556.615, 8
19320178
 
#50

eMolecules: 4793508
Molport: MolPort-002-513-958
IBScreen NP: STOCK1N-25271
Pharmeks: PHAR047077
ref: mol2, SDF, SMILES, flexibase
3.30,10.47,-45.67,1,4,1, 366.529, 3
hi: mol2, SDF, SMILES, flexibase
3.30,8.22,-5.67,0,4,0, 365.521, 3

Similar to: 39950938, 39951057, 39951173, 39951262, 39951368, ... 5 in total.
19323157
 
#51

eMolecules: 4794363
Molport: MolPort-002-514-343
IBScreen NP: STOCK1N-26428
Pharmeks: PHAR041693
ref: mol2, SDF, SMILES, flexibase
2.76,7.97,-33.17,1,5,1, 382.528, 3
hi: mol2, SDF, SMILES, flexibase
2.76,5.54,-7.87,0,5,0, 381.52, 3
lo: mol2, SDF, SMILES, flexibase
2.76,10.03,-101.1,2,5,2, 383.536, 3
lo: mol2, SDF, SMILES, flexibase
2.76,7.85,-31.96,1,5,1, 382.528, 3

Similar to: 39950765, 39950947, 39951064, 39951178, 39951267, ... 6 in total.
5163081
 
#52

Molport: MolPort-001-815-917
Scientific Exchange (make on demand): POD_29/0670
IBScreen NP: STOCK1N-16499
Labotest: LT00455077
ref: mol2, SDF, SMILES, flexibase
-2.08,1.32,-36.27,4,6,1, 152.137, 0
mid: mol2, SDF, SMILES, flexibase
-0.01,1.9,-35.49,2,6,-1, 150.121, 0
mid: mol2, SDF, SMILES, flexibase
-2.08,2.37,-18.66,3,6,0, 151.129, 0
lo: mol2, SDF, SMILES, flexibase
-0.01,1.24,-51.97,4,6,1, 152.137, 0

Similar to: 12428237, 39268619, 49586633,
70670091
 
#53

IBScreen NP: STOCK1N-22887
ref: mol2, SDF, SMILES, flexibase
2.98,14.54,-63.26,3,10,-1, 629.778, 10
70670092
 
#54

IBScreen NP: STOCK1N-22887
ref: mol2, SDF, SMILES, flexibase
2.98,14.35,-62.89,3,10,-1, 629.778, 10
20112177
 
#55

eMolecules: 26406588
Molport: MolPort-002-513-626
IBScreen NP: STOCK1N-24104
SMDC Public: 734283
ref: mol2, SDF, SMILES, flexibase
2.86,9.15,-50.19,1,7,1, 469.602, 4
mid: mol2, SDF, SMILES, flexibase
2.86,9.28,-53.48,1,7,1, 469.602, 4
mid: mol2, SDF, SMILES, flexibase
2.86,6.89,-11.45,0,7,0, 468.594, 4

Similar to: 33929532, 33929533, 33929535, 33929537, ... 4 in total.
70670149
 
#56

eMolecules: 4793352
IBScreen NP: STOCK1N-25072
Individual Suppliers: C70670149
ref: mol2, SDF, SMILES, flexibase
4.29,7.61,-53.6,1,11,-1, 590.7, 5
mid: mol2, SDF, SMILES, flexibase
5.22,8.16,-20.19,2,11,0, 591.708, 4
1453811
 
#57

eMolecules: 4192580
IBScreen NP: STOCK1N-25787
Princeton BioMolecular Research: OSSK_533037
Vitas-M: STK137581
ChemDB: 5697174...8 total

ref: mol2, SDF, SMILES, flexibase
3.57,13.65,-61.04,1,9,-1, 555.607, 8
lo: mol2, SDF, SMILES, flexibase
3.57,11.67,-21.57,2,9,0, 556.615, 8
70670198
 
#58

eMolecules: 4794343
IBScreen NP: STOCK1N-26400
ref: mol2, SDF, SMILES, flexibase
8.89,21.32,-13.86,1,5,0, 614.915, 14

Similar to: 16039932, 16039933, 16039934, 16039935, ... 4 in total.
70670231
 
#59

IBScreen NP: STOCK1N-27282
ref: mol2, SDF, SMILES, flexibase
6.96,17.65,-15.01,0,5,0, 525.774, 4
20112058
 
#60

eMolecules: 26406305
Molport: MolPort-002-513-407
IBScreen NP: STOCK1N-22989
ref: mol2, SDF, SMILES, flexibase
2.97,10.49,-44.93,1,5,1, 425.593, 4
mid: mol2, SDF, SMILES, flexibase
2.97,10.62,-44.81,1,5,1, 425.593, 4
mid: mol2, SDF, SMILES, flexibase
2.97,8.23,-7.99,0,5,0, 424.585, 4

Similar to: 33794764, 33794765, 33794766, 33794767, ... 4 in total.
18158028
 
#61

eMolecules: 35779898
IBScreen NP: STOCK1N-24119
Pharmeks: PHAR036004
ref: mol2, SDF, SMILES, flexibase
-0.22,2.87,-52.52,1,5,-1, 195.227, 2
lo: mol2, SDF, SMILES, flexibase
-0.95,3.26,-24.22,2,5,0, 196.235, 2

Similar to: 34819312, 1704408, 1708256, 1562079, ... 4 in total.
19323136
 
#62

eMolecules: 4793490
Molport: MolPort-002-513-952
IBScreen NP: STOCK1N-25252
Pharmeks: PHAR018068
ref: mol2, SDF, SMILES, flexibase
2.39,7.22,-34.99,1,5,1, 368.501, 2
hi: mol2, SDF, SMILES, flexibase
2.39,4.97,-8.01,0,5,0, 367.493, 2
lo: mol2, SDF, SMILES, flexibase
2.39,9.47,-105.15,2,5,2, 369.509, 2
lo: mol2, SDF, SMILES, flexibase
2.39,7.11,-33.3,1,5,1, 368.501, 2
1453810
 
#63

eMolecules: 4192580
IBScreen NP: STOCK1N-25787
Princeton BioMolecular Research: OSSK_533037
Vitas-M: STK137581
ChemDB: 5697174...8 total

ref: mol2, SDF, SMILES, flexibase
3.57,13.65,-61.4,1,9,-1, 555.607, 8
lo: mol2, SDF, SMILES, flexibase
3.57,11.68,-21.61,2,9,0, 556.615, 8
4510409
 
#64

eMolecules: 4794359
IBScreen NP: STOCK1N-26419
ref: mol2, SDF, SMILES, flexibase
1.43,1.78,-55.61,2,13,-1, 567.622, 7
mid: mol2, SDF, SMILES, flexibase
2.36,2.34,-23.74,3,13,0, 568.63, 6
70670233
 
#65

IBScreen NP: STOCK1N-27282
ref: mol2, SDF, SMILES, flexibase
6.96,17.94,-14.89,0,5,0, 525.774, 4
70670093
 
#66

IBScreen NP: STOCK1N-22887
ref: mol2, SDF, SMILES, flexibase
2.98,14.61,-64.2,3,10,-1, 629.778, 10
70670176
 
#67

eMolecules: 26407235
IBScreen NP: STOCK1N-25980
ChemDB: 4562111
PubChem: 3318009
ref: mol2, SDF, SMILES, flexibase
3.68,9.59,-14.04,0,7,0, 358.394, 7
70670174
 
#68

IBScreen NP: STOCK1N-25958
ref: mol2, SDF, SMILES, flexibase
1.08,2.49,-19.07,4,10,0, 624.775, 6
70670175
 
#69

IBScreen NP: STOCK1N-25958
ref: mol2, SDF, SMILES, flexibase
1.08,2.14,-18.87,4,10,0, 624.775, 6
20112295
 
#70

eMolecules: 26407229
Molport: MolPort-002-514-189
IBScreen NP: STOCK1N-25961
ref: mol2, SDF, SMILES, flexibase
2.70,8.35,-55.02,0,8,-1, 509.586, 5
mid: mol2, SDF, SMILES, flexibase
3.25,8.5,-44.03,0,8,-1, 509.586, 5
mid: mol2, SDF, SMILES, flexibase
3.40,10.69,-15.97,1,8,0, 510.594, 5
mid: mol2, SDF, SMILES, flexibase
3.25,9.86,-57.28,1,8,0, 510.594, 5
lo: mol2, SDF, SMILES, flexibase
3.40,12.41,-57.22,2,8,1, 511.602, 5

Similar to: 27840285,
70670199
 
#71

eMolecules: 35779985
IBScreen NP: STOCK1N-26402
ref: mol2, SDF, SMILES, flexibase
0.24,9.61,-41.26,2,4,1, 444.68, 0
392329
 
#72

eMolecules: 1950720, 206905988
Aldrich CPR: S790613|ALDRICH
Alfa-Aesar: H63253
Bachem: C-2820
IBScreen NP: STOCK1N-26411...8 total

ref: mol2, SDF, SMILES, flexibase
3.36,8.44,-17.24,1,8,0, 348.355, 8
392330
 
#73

eMolecules: 206905988
Aldrich CPR: S790613|ALDRICH
Bachem: C-2825
IBScreen NP: STOCK1N-26411
PubChem: 853557...6 total

ref: mol2, SDF, SMILES, flexibase
3.36,8.73,-17.17,1,8,0, 348.355, 8
16030941
 
#74

eMolecules: 26407400
IBScreen NP: STOCK1N-26416
ref: mol2, SDF, SMILES, flexibase
6.96,16.84,-13.35,1,5,0, 539.801, 16

Similar to: 70670200, 16030934, 16030936, 16030938, ... 4 in total.
70670101
 
#75

eMolecules: 26406347
IBScreen NP: STOCK1N-23179
ChemDB: 4561046
PubChem: 3557000
ref: mol2, SDF, SMILES, flexibase
-1.32,-1.7,-15.61,5,14,0, 546.618, 13
70670128
 
#76

eMolecules: 26406613
IBScreen NP: STOCK1N-24184
ref: mol2, SDF, SMILES, flexibase
3.67,11.96,-12.61,0,8,0, 526.707, 9
70670127
 
#77

eMolecules: 26406613
IBScreen NP: STOCK1N-24184
ref: mol2, SDF, SMILES, flexibase
3.67,11.65,-11.24,0,8,0, 526.707, 9
70670156
 
#78

eMolecules: 26407016
IBScreen NP: STOCK1N-25409
ref: mol2, SDF, SMILES, flexibase
5.73,15.29,-26.52,2,10,0, 574.715, 20
4029252
 
#79

IBScreen NP: STOCK1N-27261
PubChem: 11874094
ref: mol2, SDF, SMILES, flexibase
5.21,4.69,-10.42,0,5,0, 400.515, 8

Similar to: 4904078, 12660496, 12660497,
4029251
 
#80

IBScreen NP: STOCK1N-27261
PubChem: 11874093
ref: mol2, SDF, SMILES, flexibase
5.21,5.09,-10.21,0,5,0, 400.515, 8

Similar to: 4029252, 4904078, 12660496, 12660497, ... 7 in total.
4029222
 
#81

IBScreen NP: STOCK1N-27199
PubChem: 7078973
ref: mol2, SDF, SMILES, flexibase
3.81,4.74,-12.79,0,6,0, 402.487, 7

Similar to: 15723287, 15723289, 4029219, 4029220, 4029221, ... 9 in total.
9271779
 
#82

eMolecules: 49241869
IBScreen NP: STOCK1N-26342
Mcule: MCULE-7019416964
Pharmeks: PHAR056871
Mcule Make-on-demand: MCULE-7019416964...5 total

ref: mol2, SDF, SMILES, flexibase
0.76,0.39,-20.22,6,11,0, 385.384, 5
lo: mol2, SDF, SMILES, flexibase
0.94,-10.09,-47.6,7,11,1, 386.392, 4
9316563
 
#83

eMolecules: 49241867
IBScreen NP: STOCK1N-26185
Mcule: MCULE-7346891190
Pharmeks: PHAR047129
Mcule Make-on-demand: MCULE-7346891190...5 total

ref: mol2, SDF, SMILES, flexibase
-0.48,-1.38,-23.17,6,12,0, 386.372, 5
lo: mol2, SDF, SMILES, flexibase
-0.30,-10.82,-48.23,7,12,1, 387.38, 4
lo: mol2, SDF, SMILES, flexibase
-0.30,-10.71,-54.7,7,12,1, 387.38, 4
9113646
 
#84

eMolecules: 46349597
Molport: MolPort-002-932-217
AKOS: AKOS005380045
IBScreen NP: STOCK1N-26148
Mcule: MCULE-4606634676...11 total

ref: mol2, SDF, SMILES, flexibase
1.39,1.09,-21.49,6,11,0, 419.829, 5
mid: mol2, SDF, SMILES, flexibase
1.39,1.41,-51.69,6,11,0, 419.829, 5

Similar to: 10004165, 12660334, 59409937,
9886208
 
#85

eMolecules: 49241865
IBScreen NP: STOCK1N-26065
Mcule: MCULE-5357703194
Pharmeks: PHAR015368
Mcule Make-on-demand: MCULE-5357703194...5 total

ref: mol2, SDF, SMILES, flexibase
1.46,1.21,-21.87,6,12,0, 441.448, 8
mid: mol2, SDF, SMILES, flexibase
1.46,1.44,-55.49,6,12,0, 441.448, 8
lo: mol2, SDF, SMILES, flexibase
1.46,-2.86,-39.26,7,12,1, 442.456, 8
lo: mol2, SDF, SMILES, flexibase
1.46,1.52,-38.35,7,12,1, 442.456, 8

Similar to: 10004230, 38200539, 59409935,
9271721
 
#86

eMolecules: 49241863
IBScreen NP: STOCK1N-26031
Pharmeks: PHAR052564
ref: mol2, SDF, SMILES, flexibase
0.02,-1.62,-22.72,6,12,0, 375.345, 5
lo: mol2, SDF, SMILES, flexibase
0.19,-9.64,-48.1,7,12,1, 376.353, 4
lo: mol2, SDF, SMILES, flexibase
0.19,-9.53,-54.69,7,12,1, 376.353, 4
8836576
 
#87

eMolecules: 49241859
IBScreen NP: STOCK1N-25401
Mcule: MCULE-6666927112
Pharmeks: PHAR012260
Mcule Make-on-demand: MCULE-6666927112...5 total

ref: mol2, SDF, SMILES, flexibase
0.28,-2.45,-22.09,7,12,0, 401.383, 5
lo: mol2, SDF, SMILES, flexibase
0.46,-12,-48.9,8,12,1, 402.391, 4
lo: mol2, SDF, SMILES, flexibase
0.46,-11.89,-55.73,8,12,1, 402.391, 4

Similar to: 1745747,
9008807
 
#88

eMolecules: 49241857
IBScreen NP: STOCK1N-25393
Mcule: MCULE-3804652258
Pharmeks: PHAR024165
Mcule Make-on-demand: MCULE-3804652258...5 total

ref: mol2, SDF, SMILES, flexibase
1.44,0.91,-20.46,6,11,0, 419.829, 5
lo: mol2, SDF, SMILES, flexibase
1.61,-2.55,-45.09,7,11,1, 420.837, 4
8818417
 
#89

eMolecules: 49241855
IBScreen NP: STOCK1N-25366
Mcule: MCULE-5951881278
Pharmeks: PHAR009888
Mcule Make-on-demand: MCULE-5951881278...5 total

ref: mol2, SDF, SMILES, flexibase
1.57,1.02,-20.38,6,11,0, 464.28, 5
lo: mol2, SDF, SMILES, flexibase
1.75,1.86,-41.75,7,11,1, 465.288, 4
lo: mol2, SDF, SMILES, flexibase
1.75,-2.45,-45.15,7,11,1, 465.288, 4

Similar to: 1901765,
4028837
 
#90

IBScreen NP: STOCK1N-25303
Pharmeks: PHAR017021
PubChem: 7078636
ref: mol2, SDF, SMILES, flexibase
2.81,-0.73,-11.12,1,5,0, 315.369, 3

Similar to: 6783867, 6783868, 6783892, 6783893, ... 11 in total.
1280091
 
#91

IBScreen NP: STOCK1N-25303
Pharmeks: PHAR017021
PubChem: 1403236
ref: mol2, SDF, SMILES, flexibase
2.81,-1.07,-8.5,1,5,0, 315.369, 3

Similar to: 4028835, 4028836, 4028837, 6783867, 6783868, ... 11 in total.
8837024
 
#92

eMolecules: 49241853
IBScreen NP: STOCK1N-25212
Mcule: MCULE-8655806916
Pharmeks: PHAR013784
Mcule Make-on-demand: MCULE-8655806916...5 total

ref: mol2, SDF, SMILES, flexibase
0.82,-0.31,-21.95,6,12,0, 415.41, 6
lo: mol2, SDF, SMILES, flexibase
0.99,-10.02,-48.07,7,12,1, 416.418, 5
lo: mol2, SDF, SMILES, flexibase
0.99,-9.91,-54.82,7,12,1, 416.418, 5

Similar to: 4464155,
8837121
 
#93

eMolecules: 49241851
IBScreen NP: STOCK1N-25171
Mcule: MCULE-3573203404
Pharmeks: PHAR014291
Mcule Make-on-demand: MCULE-3573203404...5 total

ref: mol2, SDF, SMILES, flexibase
-0.53,-1.4,-21.75,6,12,0, 386.372, 5
lo: mol2, SDF, SMILES, flexibase
-0.35,-10.82,-49.64,7,12,1, 387.38, 4
8817755
 
#94

eMolecules: 49241849
IBScreen NP: STOCK1N-24988
Mcule: MCULE-4017394950
Pharmeks: PHAR005363
Mcule Make-on-demand: MCULE-4017394950...5 total

ref: mol2, SDF, SMILES, flexibase
0.66,-0.6,-21.07,6,11,0, 391.413, 5
lo: mol2, SDF, SMILES, flexibase
0.84,-10.89,-46.92,7,11,1, 392.421, 4
lo: mol2, SDF, SMILES, flexibase
0.84,-10.79,-53.59,7,11,1, 392.421, 4
4028710
 
#95

AK Scientific: W0476
ChemBridge: 5222726
IBScreen NP: STOCK1N-24747
Sequoia Research Products: 25696-57-5
PubChem: 54118010...10 total

ref: mol2, SDF, SMILES, flexibase
1.64,-10.1,-9.7,4,6,0, 385.21, 3

Similar to: 2149682, 2387021, 642953, 1081241, 2126592, ... 9 in total.
3606262
 
#96

BioSynth: W-202726
IBScreen NP: STOCK1N-24594
J&K Chemical: A01151938
Tetrahedron Building Blocks: TS14520
Acros Organics (Depleted): 25796...25 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-11.45,-8.78,5,6,0, 180.156, 1

Similar to: 1529206, 1532520, 1532549, 1532557, 1532676, ... 8 in total.
4028659
 
#97

IBScreen NP: STOCK1N-24519
PubChem: 18397823, 7078469
ref: mol2, SDF, SMILES, flexibase
0.33,-9.33,-8.95,4,6,0, 290.699, 3

Similar to: 219266, 485475, 485476, 485477, 485478, ... 9 in total.
4028626
 
#98

eMolecules: 26406654
IBScreen NP: STOCK1N-24337
PubChem: 7078431, 18397822
ref: mol2, SDF, SMILES, flexibase
0.52,-1.38,-11.48,3,5,0, 240.255, 2

Similar to: 12659982, 16039765, 4028625,
4028609
 
#99

eMolecules: 26406621
IBScreen NP: STOCK1N-24223
PubChem: 7078408, 18397821
ref: mol2, SDF, SMILES, flexibase
0.91,-7.64,-10.47,3,5,0, 305.124, 2

Similar to: 4984451, 4984458, 12659951, 16039725, ... 7 in total.
3833800
 
#100

TCM Database @ Taiwan: 26445
Acros Organics: 41095, 15061
Ark Pharm Building Blocks: AK114505
BePharm Building Blocks: B115243
BioSynth: W-202206...316 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-10.7,-6.85,5,6,0, 180.156, 1

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 = 505 ) limit 0,100

Smiles were