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66442696
 
#1

eMolecules: 36504171
Molport: MolPort-019-907-426
IBScreen: STOCK7S-21230
IBScreen BuildingBlocks: BB_SC-10315
Mcule: MCULE-1532184606...11 total

ref: mol2, SDF, SMILES, flexibase
0.51,4.18,-53.77,0,7,-1, 235.223, 5
lo: mol2, SDF, SMILES, flexibase
0.51,2.2,-15.7,1,7,0, 236.231, 5
66442694
 
#2

eMolecules: 36504165
Molport: MolPort-019-907-435
Alinda Building Blocks: ALBB-028074
Enamine Building Blocks: EN300-186678
IBScreen: STOCK7S-21242...15 total

ref: mol2, SDF, SMILES, flexibase
2.76,8.34,-54.26,0,4,-1, 235.288, 3
66442693
 
#3

eMolecules: 36504163
Molport: MolPort-019-907-555
ChemDiv BuildingBlocks: BB26-0603
Enamine Building Blocks: EN300-186580
IBScreen: STOCK7S-21407...14 total

ref: mol2, SDF, SMILES, flexibase
3.02,8.77,-53.34,0,4,-1, 249.315, 4
66442692
 
#4

eMolecules: 36504161
Molport: MolPort-019-909-149
IBScreen: STOCK7S-23530
IBScreen BuildingBlocks: BB_SC-10309
Mcule: MCULE-7989943843...13 total

ref: mol2, SDF, SMILES, flexibase
2.77,6.74,-8.51,2,4,0, 262.334, 5
66442690
 
#5

eMolecules: 36504159
Molport: MolPort-019-907-352
Alinda Building Blocks: ALBB-028089
IBScreen: STOCK7S-21143
IBScreen BuildingBlocks: BB_SC-10308...15 total

ref: mol2, SDF, SMILES, flexibase
2.75,5.78,-8.47,2,4,0, 248.307, 4
66442689
 
#6

eMolecules: 36504151
Molport: MolPort-019-908-450
IBScreen: STOCK7S-22579
IBScreen BuildingBlocks: BB_SC-10300
Mcule: MCULE-7416211668...11 total

ref: mol2, SDF, SMILES, flexibase
2.82,9.1,-54.18,0,4,-1, 261.257, 2

Similar to: 44713340,
66442688
 
#7

eMolecules: 36504149
Molport: MolPort-014-382-678
Alinda Building Blocks: ALBB-028621
IBScreen: STOCK7S-23188
IBScreen BuildingBlocks: BB_SC-10299...15 total

ref: mol2, SDF, SMILES, flexibase
0.91,6.02,-51.29,0,6,-1, 261.257, 6
lo: mol2, SDF, SMILES, flexibase
0.91,4.05,-12.55,1,6,0, 262.265, 6
66442686
 
#8

eMolecules: 36504147
Molport: MolPort-014-382-688
Alinda Building Blocks: ALBB-028620
Enamine Building Blocks: EN300-191911
IBScreen: STOCK7S-22134...16 total

ref: mol2, SDF, SMILES, flexibase
-0.10,4.46,-51.46,0,6,-1, 233.203, 4
66442685
 
#9

eMolecules: 46566131
Molport: MolPort-019-908-084
IBScreen: STOCK7S-22125
IBScreen BuildingBlocks: BB_SC-10295
Mcule: MCULE-3599457944...9 total

ref: mol2, SDF, SMILES, flexibase
0.29,3.36,-41.32,1,5,-1, 172.551, 2
mid: mol2, SDF, SMILES, flexibase
0.29,3.2,-93.75,0,5,-2, 171.543, 2
66442684
 
#10

eMolecules: 46566535
Molport: MolPort-019-908-465
BioBlocks: A4590/0196583
BioBlocks BB: ZERO/011057
Chemical Block: A4590/0196583...15 total

ref: mol2, SDF, SMILES, flexibase
0.90,3.22,-33.47,0,5,-1, 186.578, 3
mid: mol2, SDF, SMILES, flexibase
0.90,3.41,-7.06,1,5,0, 187.586, 3
66442679
 
#11

eMolecules: 36504137
Molport: MolPort-019-907-005
IBScreen: STOCK7S-20700
IBScreen BuildingBlocks: BB_SC-10286
Mcule: MCULE-9905575123...11 total

ref: mol2, SDF, SMILES, flexibase
0.30,2.45,-25.74,3,5,1, 247.322, 3
mid: mol2, SDF, SMILES, flexibase
0.30,2.02,-11.29,2,5,0, 246.314, 3

Similar to: 34925714, 34925719,
66442677
 
#12

eMolecules: 36504135
Molport: MolPort-019-908-428
IBScreen: STOCK7S-22549
IBScreen BuildingBlocks: BB_SC-10285
Mcule: MCULE-1616067097...11 total

ref: mol2, SDF, SMILES, flexibase
1.44,5.09,-24.33,3,4,1, 245.35, 2
mid: mol2, SDF, SMILES, flexibase
1.44,6.61,-45.89,3,4,1, 245.35, 2
mid: mol2, SDF, SMILES, flexibase
1.44,4.67,-9.36,2,4,0, 244.342, 2

Similar to: 34925714, 34925718, 34925721, 34925727, ... 4 in total.
66442676
 
#13

eMolecules: 36504133
Molport: MolPort-019-909-097
IBScreen: STOCK7S-23453
IBScreen BuildingBlocks: BB_SC-10284
Mcule: MCULE-9326957434...11 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.93,-23.97,3,4,1, 231.323, 1
mid: mol2, SDF, SMILES, flexibase
0.99,3.51,-9.3,2,4,0, 230.315, 1
lo: mol2, SDF, SMILES, flexibase
0.99,5.67,-42.99,3,4,1, 231.323, 1

Similar to: 34925714, 34925718, 34925719, 34925721, ... 4 in total.
66442675
 
#14

eMolecules: 36504127
Molport: MolPort-023-279-599, MolPort-019-907-566
IBScreen: STOCK7S-21420
IBScreen BuildingBlocks: BB_SC-10280
Mcule: MCULE-2030719418...11 total

ref: mol2, SDF, SMILES, flexibase
2.07,1.34,-12.87,2,4,0, 240.328, 2
66442674
 
#15

eMolecules: 36504119
Molport: MolPort-019-908-395
IBScreen: STOCK7S-22509
IBScreen BuildingBlocks: BB_SC-10274
Mcule: MCULE-5035054821...11 total

ref: mol2, SDF, SMILES, flexibase
1.36,4.14,-10.62,0,4,0, 221.647, 2
lo: mol2, SDF, SMILES, flexibase
1.36,4.55,-32.09,1,4,1, 222.655, 2
66442672
 
#16

eMolecules: 36504096
Molport: MolPort-019-909-604
IBScreen: STOCK7S-25092
IBScreen BuildingBlocks: BB_SC-10249
Mcule: MCULE-4730533134...12 total

ref: mol2, SDF, SMILES, flexibase
0.37,8.06,-61.52,0,7,-1, 287.299, 4
lo: mol2, SDF, SMILES, flexibase
0.37,6.08,-20.55,1,7,0, 288.307, 4
66442671
 
#17

eMolecules: 36504096
Molport: MolPort-019-909-604
IBScreen: STOCK7S-25092
IBScreen BuildingBlocks: BB_SC-10249
Mcule: MCULE-4730533134...12 total

ref: mol2, SDF, SMILES, flexibase
0.37,8.06,-61.51,0,7,-1, 287.299, 4
lo: mol2, SDF, SMILES, flexibase
0.37,6.09,-20.53,1,7,0, 288.307, 4
66442669
 
#18

eMolecules: 36504092
Molport: MolPort-019-907-590
Enamine Building Blocks: EN300-186665
IBScreen: STOCK7S-21455
IBScreen BuildingBlocks: BB_SC-10245...12 total

ref: mol2, SDF, SMILES, flexibase
0.24,3.4,-50.78,0,7,-1, 221.196, 4
66442667
 
#19

eMolecules: 36504088
Molport: MolPort-019-909-572
IBScreen: STOCK7S-24093
IBScreen BuildingBlocks: BB_SC-10243
Mcule: MCULE-3022600646...10 total

ref: mol2, SDF, SMILES, flexibase
0.97,8.24,-38.87,1,5,0, 232.239, 4
mid: mol2, SDF, SMILES, flexibase
0.97,7.78,-44.94,0,5,-1, 231.231, 4
66442666
 
#20

eMolecules: 36504086
Molport: MolPort-019-907-889
IBScreen: STOCK7S-21871
IBScreen BuildingBlocks: BB_SC-10242
Mcule: MCULE-7869333292...10 total

ref: mol2, SDF, SMILES, flexibase
0.71,5.66,-12.17,3,6,0, 240.27, 3
66442664
 
#21

eMolecules: 36504077
Molport: MolPort-018-503-845, MolPort-022-940-141
AKOS: AKOS005159296
BioBlocks: A4580/0196038
BioBlocks BB: ZERO/010971...19 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.76,-50.05,1,5,-1, 251.649, 3
ref: mol2, SDF, SMILES, flexibase
2.15,4.87,-50.69,1,5,-1, 251.649, 3
66442663
 
#22

eMolecules: 36504069
Molport: MolPort-019-908-136
IBScreen: STOCK7S-22188
IBScreen BuildingBlocks: BB_SC-10219
Mcule: MCULE-2082982008...11 total

ref: mol2, SDF, SMILES, flexibase
0.35,4.62,-13.72,3,5,0, 244.298, 3
mid: mol2, SDF, SMILES, flexibase
0.35,5.66,-28.31,4,5,1, 245.306, 3
66442661
 
#23

eMolecules: 36504065
Molport: MolPort-019-909-360
IBScreen: STOCK7S-23805
IBScreen BuildingBlocks: BB_SC-10217
Mcule: MCULE-4192652375...12 total

ref: mol2, SDF, SMILES, flexibase
-0.32,2.97,-14.26,3,5,0, 216.244, 2
mid: mol2, SDF, SMILES, flexibase
-0.32,4.01,-29.01,4,5,1, 217.252, 2
66442660
 
#24

eMolecules: 36504057
Molport: MolPort-019-906-939
IBScreen: STOCK7S-20618
IBScreen BuildingBlocks: BB_SC-10209
Mcule: MCULE-2344872145...12 total

ref: mol2, SDF, SMILES, flexibase
0.36,1.53,-7.26,4,4,0, 205.261, 3
lo: mol2, SDF, SMILES, flexibase
0.36,1.39,-51.88,5,4,1, 206.269, 3
66442659
 
#25

eMolecules: 36504053
Molport: MolPort-019-907-737
IBScreen: STOCK7S-21672
IBScreen BuildingBlocks: BB_SC-10205
Mcule: MCULE-5188501860...13 total

ref: mol2, SDF, SMILES, flexibase
1.05,3.2,-8.37,3,4,0, 219.288, 2
66442657
 
#26

eMolecules: 36504047
Molport: MolPort-019-590-853
AKOS: AKOS005062497
Enamine: Z102767214
Enamine Building Blocks: EN300-100409...15 total

ref: mol2, SDF, SMILES, flexibase
2.18,7.68,-37.45,2,3,1, 245.346, 4
hi: mol2, SDF, SMILES, flexibase
2.18,6.24,-4.95,1,3,0, 244.338, 4
6737397
 
#27

eMolecules: 916773
Molport: MolPort-002-500-470
AK Scientific: V6770, X3300
AKOS: AKOS000272868
Alfa-Aesar: H32831...70 total

ref: mol2, SDF, SMILES, flexibase
1.81,3.62,-6.82,3,3,0, 177.182, 1
ref: mol2, SDF, SMILES, flexibase
1.81,3.65,-5.98,3,3,0, 177.182, 1
lo: mol2, SDF, SMILES, flexibase
1.81,3.81,-36.41,4,3,1, 178.19, 1
66442655
 
#28

eMolecules: 36395655
Molport: MolPort-019-865-648
Scientific Exchange (make on demand): F-443231
IBScreen: STOCK7S-21638
IBScreen BuildingBlocks: BB_SC-10185...18 total

ref: mol2, SDF, SMILES, flexibase
1.71,6.18,-9.37,0,4,0, 237.28, 4
1587338
 
#29

eMolecules: 36504025, 5868515
Molport: MolPort-019-907-819, MolPort-016-579-190, MolPort-003-665-208
AKOS: AKOS001782278, AKOS015838793
Apexmol Building Blocks: AM804286
Ark Pharm Building Blocks: AK146182...49 total

ref: mol2, SDF, SMILES, flexibase
0.36,-1.57,-12,2,5,0, 156.141, 3
ref: mol2, SDF, SMILES, flexibase
-0.10,0.88,-18.27,2,5,0, 156.141, 3
mid: mol2, SDF, SMILES, flexibase
0.36,-0.74,-58.21,1,5,-1, 155.133, 3
66442652
 
#30

eMolecules: 36504021
Molport: MolPort-019-908-507
IBScreen: STOCK7S-22654
IBScreen BuildingBlocks: BB_SC-10163
Innovapharm Building Blocks: BBS-00023212...15 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.75,-41.75,1,7,-1, 212.185, 3
hi: mol2, SDF, SMILES, flexibase
1.96,4.61,-111.94,0,7,-2, 211.177, 3
66442650
 
#31

eMolecules: 36504019
Molport: MolPort-023-280-316, MolPort-019-908-577
IBScreen: STOCK7S-22742
IBScreen BuildingBlocks: BB_SC-10161
Innovapharm Building Blocks: BBS-00023217...14 total

ref: mol2, SDF, SMILES, flexibase
3.09,5.99,-38.69,1,4,-1, 256.068, 2

Similar to: 32222129,
66442649
 
#32

eMolecules: 36504017
Molport: MolPort-019-908-599, MolPort-023-279-961
IBScreen: STOCK7S-22774
IBScreen BuildingBlocks: BB_SC-10158
Innovapharm Building Blocks: BBS-00023216...14 total

ref: mol2, SDF, SMILES, flexibase
2.28,4.5,-40.22,1,4,-1, 201.633, 3
66442645
 
#33

eMolecules: 36504007
Molport: MolPort-019-880-079
ChemBridge: 9288134
IBScreen: STOCK7S-23867
IBScreen BuildingBlocks: BB_SC-10147...12 total

ref: mol2, SDF, SMILES, flexibase
0.77,8.84,-50.08,0,8,-1, 285.287, 4
34364552
 
#34

eMolecules: 36504003
Molport: MolPort-019-907-784
Enamine Building Blocks: EN300-140190
IBScreen: STOCK7S-21736
IBScreen BuildingBlocks: BB_SC-10143...13 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.62,-13.39,1,4,0, 171.587, 1

Similar to: 16124192,
66442643
 
#35

eMolecules: 36504001
Molport: MolPort-019-907-309
IBScreen: STOCK7S-21089
IBScreen BuildingBlocks: BB_SC-10142
Mcule: MCULE-3599664291...15 total

ref: mol2, SDF, SMILES, flexibase
1.65,4.1,-5.71,2,3,0, 190.246, 3
66442641
 
#36

eMolecules: 36503999, 44239083
Molport: MolPort-023-310-475, MolPort-019-908-934
IBScreen: STOCK7S-23223
IBScreen BuildingBlocks: BB_SC-10138
Mcule: MCULE-8877840663...16 total

ref: mol2, SDF, SMILES, flexibase
0.86,2.1,-4.65,0,2,0, 204.067, 0
lo: mol2, SDF, SMILES, flexibase
0.86,4.49,-39.51,1,2,1, 205.075, 0
66442640
 
#37

eMolecules: 36503999, 44239083
Molport: MolPort-023-310-475, MolPort-019-908-934
IBScreen: STOCK7S-23223
IBScreen BuildingBlocks: BB_SC-10138
Mcule: MCULE-8877840663...16 total

ref: mol2, SDF, SMILES, flexibase
0.86,2.1,-4.65,0,2,0, 204.067, 0
lo: mol2, SDF, SMILES, flexibase
0.86,4.49,-39.49,1,2,1, 205.075, 0
66442639
 
#38

eMolecules: 36503996
Molport: MolPort-019-907-396
Aldrich CPR: CDS020249|ALDRICH
IBScreen: STOCK7S-21191
IBScreen BuildingBlocks: BB_SC-10128...10 total

ref: mol2, SDF, SMILES, flexibase
-0.91,3.17,-43.9,3,6,-1, 153.121, 2
lo: mol2, SDF, SMILES, flexibase
-0.91,3.59,-43.46,4,6,0, 154.129, 2
66442637
 
#39

eMolecules: 36503987
Molport: MolPort-018-503-887, MolPort-022-926-318
AKOS: AKOS005159343
IBScreen: STOCK7S-19082
IBScreen BuildingBlocks: BB_SC-10121...14 total

ref: mol2, SDF, SMILES, flexibase
2.69,6.87,-52.55,1,4,-1, 229.259, 2

Similar to: 9189808,
66442636
 
#40

eMolecules: 36503983
Molport: MolPort-019-826-464
AKOS: AKOS015951690
ChemBridge: 9309015
IBScreen: STOCK7S-17741...15 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.87,-7.92,3,4,0, 247.342, 3
6484508
 
#41

eMolecules: 36503977
Molport: MolPort-019-826-410
Apexmol Building Blocks: AM807357
Ark Pharm Building Blocks: AK145550
IBScreen: STOCK7S-17678...14 total

ref: mol2, SDF, SMILES, flexibase
0.95,1.47,-8.27,2,4,0, 192.218, 2

Similar to: 8908698, 1702041, 3183632, 2626794, ... 4 in total.
6484454
 
#42

eMolecules: 36503977
Molport: MolPort-019-826-410
Apexmol Building Blocks: AM807357
Ark Pharm Building Blocks: AK145550
IBScreen: STOCK7S-17678...14 total

ref: mol2, SDF, SMILES, flexibase
0.95,1.59,-8.84,2,4,0, 192.218, 2

Similar to: 8908698, 1702041, 3183632, 2626794, ... 4 in total.
66442633
 
#43

eMolecules: 36503973
Molport: MolPort-019-827-224, MolPort-023-281-339
IBScreen: STOCK7S-18690
IBScreen BuildingBlocks: BB_SC-10100
Mcule: MCULE-3157162233...12 total

ref: mol2, SDF, SMILES, flexibase
-1.72,3.82,-50.21,2,7,0, 244.276, 5
hi: mol2, SDF, SMILES, flexibase
-1.72,1.63,-61.57,1,7,-1, 243.268, 5
66442632
 
#44

eMolecules: 36503967
Molport: MolPort-019-827-362
IBScreen: STOCK7S-18862
IBScreen BuildingBlocks: BB_SC-10095
Mcule: MCULE-4977651348...10 total

ref: mol2, SDF, SMILES, flexibase
2.43,2.85,-9.84,3,4,0, 225.251, 2
19894627
 
#45

eMolecules: 36503959
Molport: MolPort-019-826-177
IBScreen: STOCK7S-17396
IBScreen BuildingBlocks: BB_SC-10088
Mcule: MCULE-9112924189...11 total

ref: mol2, SDF, SMILES, flexibase
0.46,4.66,-41.44,3,4,1, 205.285, 2
mid: mol2, SDF, SMILES, flexibase
0.46,2.2,-9.4,2,4,0, 204.277, 2
mid: mol2, SDF, SMILES, flexibase
0.46,2.4,-24.49,3,4,1, 205.285, 2
lo: mol2, SDF, SMILES, flexibase
0.46,5.01,-97.85,4,4,2, 206.293, 2

Similar to: 34557160, 6700956, 4911353, 1580596, 19894626, ... 9 in total.
34925695
 
#46

eMolecules: 36503957, 44240747
Molport: MolPort-023-309-951, MolPort-019-826-964
IBScreen: STOCK7S-18359
IBScreen BuildingBlocks: BB_SC-10087
Mcule: MCULE-7720716818...13 total

ref: mol2, SDF, SMILES, flexibase
0.35,4.45,-81.22,4,5,2, 261.373, 2
mid: mol2, SDF, SMILES, flexibase
0.35,3.83,-44.18,3,5,1, 260.365, 2
hi: mol2, SDF, SMILES, flexibase
0.35,1.47,-10.24,2,5,0, 259.357, 2

Similar to: 34925700, 20051282, 23361851, 34925689, 34925692, ... 5 in total.
66442630
 
#47

eMolecules: 36503954
Molport: MolPort-019-825-887
IBScreen: STOCK7S-17039
IBScreen BuildingBlocks: BB_SC-10085
Mcule: MCULE-9535395487...11 total

ref: mol2, SDF, SMILES, flexibase
1.87,7.13,-40.38,3,4,1, 259.377, 2
mid: mol2, SDF, SMILES, flexibase
1.87,5.61,-25.31,3,4,1, 259.377, 2
mid: mol2, SDF, SMILES, flexibase
1.87,5.25,-8.72,2,4,0, 258.369, 2
lo: mol2, SDF, SMILES, flexibase
1.87,7.55,-101.72,4,4,2, 260.385, 2
19894628
 
#48

eMolecules: 36503952
Molport: MolPort-019-827-437
IBScreen: STOCK7S-18948
IBScreen BuildingBlocks: BB_SC-10083
Mcule: MCULE-7453853546...11 total

ref: mol2, SDF, SMILES, flexibase
0.86,5.78,-39.34,3,4,1, 231.323, 2
mid: mol2, SDF, SMILES, flexibase
0.86,3.35,-9.44,2,4,0, 230.315, 2
mid: mol2, SDF, SMILES, flexibase
0.86,3.43,-25.03,3,4,1, 231.323, 2
lo: mol2, SDF, SMILES, flexibase
0.86,5.87,-98.44,4,4,2, 232.331, 2

Similar to: 4911353, 4809802,
66442627
 
#49

eMolecules: 36092760
Molport: MolPort-019-796-070
Scientific Exchange (make on demand): F-452296
AKOS: AKOS015832760
Aldrich CPR: CBR01807|ALDRICH...18 total

ref: mol2, SDF, SMILES, flexibase
1.65,4.97,-5.49,0,2,0, 185.024, 0
66442626
 
#50

eMolecules: 36503946
Molport: MolPort-019-826-153
AKOS: AKOS015951729
IBScreen: STOCK7S-17364
IBScreen BuildingBlocks: BB_SC-10076...16 total

ref: mol2, SDF, SMILES, flexibase
1.65,2.51,-11.89,3,4,0, 242.278, 2
34531340
 
#51

eMolecules: 36503940
Molport: MolPort-019-828-476
IBScreen: STOCK7S-20218
IBScreen BuildingBlocks: BB_SC-10070
Innovapharm: STT-00401815...11 total

ref: mol2, SDF, SMILES, flexibase
0.56,2.22,-7.72,1,7,0, 303.116, 2

Similar to: 39686, 1839590, 39866, 2591003, 12547965, ... 9 in total.
35234449
 
#52

eMolecules: 36503936
Molport: MolPort-011-506-541, MolPort-016-899-271
Enamine Building Blocks: EN300-123454
IBScreen: STOCK7S-18190
IBScreen BuildingBlocks: BB_SC-10064...15 total

ref: mol2, SDF, SMILES, flexibase
2.69,5.72,-7.2,1,4,0, 236.658, 3
66442624
 
#53

eMolecules: 36503932
Molport: MolPort-023-281-264, MolPort-019-825-771
IBScreen BuildingBlocks: BB_SC-10062
IBScreen NP: STOCK1N-76920
Innovapharm Building Blocks: BBS-00023202...14 total

ref: mol2, SDF, SMILES, flexibase
2.06,5.54,-95.58,1,6,-2, 277.305, 3
lo: mol2, SDF, SMILES, flexibase
1.33,5.92,-41.34,2,6,-1, 278.313, 3
66442623
 
#54

eMolecules: 36503930
Molport: MolPort-019-828-656
IBScreen: STOCK7S-20439
IBScreen BuildingBlocks: BB_SC-10061
Mcule: MCULE-9061815797...10 total

ref: mol2, SDF, SMILES, flexibase
2.67,4.6,-5.05,1,4,0, 261.119, 4
66442621
 
#55

eMolecules: 36503928
Molport: MolPort-019-828-067
IBScreen: STOCK7S-19726
IBScreen BuildingBlocks: BB_SC-10060
Mcule: MCULE-2020260172...11 total

ref: mol2, SDF, SMILES, flexibase
1.62,4.45,-9.82,1,6,0, 313.155, 3
66442618
 
#56

eMolecules: 36503926
Molport: MolPort-019-826-665, MolPort-023-280-186
IBScreen: STOCK7S-17991
IBScreen BuildingBlocks: BB_SC-10059
Mcule: MCULE-6917228993...12 total

ref: mol2, SDF, SMILES, flexibase
1.36,4.39,-43.43,1,6,-1, 298.12, 2
66442617
 
#57

eMolecules: 36503924
Molport: MolPort-019-827-400
ChemBridge BuildingBlocks: 4045491
Fluorochem: 313375
IBScreen: STOCK7S-18906...15 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.08,-6.73,0,4,0, 233.065, 2
41058758
 
#58

eMolecules: 31417502
Molport: MolPort-016-635-598
AKOS: AKOS005141849
Enamine Building Blocks: EN300-65178
IBScreen: STOCK7S-18007...20 total

ref: mol2, SDF, SMILES, flexibase
1.01,4.59,-7.78,3,4,0, 200.245, 2
41058732
 
#59

eMolecules: 31417097
Molport: MolPort-016-635-500
AKOS: AKOS005141871
Enamine Building Blocks: EN300-64666
IBScreen: STOCK7S-17663...20 total

ref: mol2, SDF, SMILES, flexibase
1.04,4.59,-8.32,3,4,0, 200.245, 2
lo: mol2, SDF, SMILES, flexibase
1.04,5,-27.79,4,4,1, 201.253, 2
lo: mol2, SDF, SMILES, flexibase
1.04,5.03,-26.12,4,4,1, 201.253, 2

Similar to: 41671128,
53995169
 
#60

Molport: MolPort-001-898-348
ChemBridge: 5685408
IBScreen: STOCK1S-67241
IBScreen BuildingBlocks: BB_SC-10047
Life Chemicals: F1597-0016...17 total

66442615
 
#61

eMolecules: 36503912
Molport: MolPort-019-827-743
IBScreen: STOCK7S-19326
IBScreen BuildingBlocks: BB_SC-10042
Mcule: MCULE-1855862446...11 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.94,-40.59,0,6,-1, 301.2, 6
66442614
 
#62

eMolecules: 36503909
Molport: MolPort-019-827-994
IBScreen: STOCK7S-19631
IBScreen BuildingBlocks: BB_SC-10036
Mcule: MCULE-8323866465...11 total

ref: mol2, SDF, SMILES, flexibase
2.43,6.87,-9.24,0,5,0, 269.732, 4
66442612
 
#63

eMolecules: 36503903
Molport: MolPort-019-828-551
Alinda Building Blocks: ALBB-028420
IBScreen: STOCK7S-20307
IBScreen BuildingBlocks: BB_SC-10030...15 total

ref: mol2, SDF, SMILES, flexibase
1.19,7.69,-53.16,0,5,-1, 245.258, 2
66442611
 
#64

eMolecules: 36503901
Molport: MolPort-019-826-629
IBScreen: STOCK7S-17944
IBScreen BuildingBlocks: BB_SC-10029
Mcule: MCULE-4520180474...13 total

ref: mol2, SDF, SMILES, flexibase
-0.45,6.32,-49.86,0,5,-1, 235.194, 2
66442609
 
#65

eMolecules: 36503893
Molport: MolPort-019-826-084
Alinda Building Blocks: ALBB-017747
ChemDiv BuildingBlocks: BB57-2000
Fluorochem: 371930...16 total

ref: mol2, SDF, SMILES, flexibase
0.64,0.36,-9.29,2,4,0, 174.587, 3
66324844
 
#66

eMolecules: 36503888, 36028758
Molport: MolPort-019-906-566, MolPort-019-826-137
Aldrich CPR: CBR01726|ALDRICH
Alinda: IBS-B0017646
Alinda Building Blocks: ALBB-017646...30 total

ref: mol2, SDF, SMILES, flexibase
1.52,2,-3.81,1,3,0, 182.408, 0
ref: mol2, SDF, SMILES, flexibase
1.52,2,-3.9,1,3,0, 182.408, 0
66442607
 
#67

eMolecules: 36503886
Molport: MolPort-019-827-315
Alinda Building Blocks: ALBB-017746
ChemDiv BuildingBlocks: BB57-1999
Fluorochem: 371929...16 total

ref: mol2, SDF, SMILES, flexibase
3.38,10.4,-54.01,0,4,-1, 291.33, 4
66442606
 
#68

eMolecules: 49412908, 48557159
Molport: MolPort-030-042-433, MolPort-019-909-601, MolPort-019-909-650
IBScreen BuildingBlocks: BB_SC-10014
IBScreen NP: STOCK1N-77080
Molport BB: MolPort-019-909-601...11 total

ref: mol2, SDF, SMILES, flexibase
2.65,8.08,-13.6,3,2,0, 226.408, 3
mid: mol2, SDF, SMILES, flexibase
2.65,7.22,-0.21,2,2,0, 225.4, 3
mid: mol2, SDF, SMILES, flexibase
2.65,7.71,-30.38,2,2,1, 225.4, 3
24540720
 
#69

eMolecules: 49400352, 48557170
Molport: MolPort-019-909-600, MolPort-019-909-752, MolPort-030-040-888
IBScreen BuildingBlocks: BB_SC-10013
IBScreen NP: STOCK1N-77216
Mcule: MCULE-6268079774...14 total

ref: mol2, SDF, SMILES, flexibase
1.67,5.96,-29.73,2,2,1, 197.346, 1
mid: mol2, SDF, SMILES, flexibase
1.67,6.51,-15.19,3,2,0, 198.354, 1
mid: mol2, SDF, SMILES, flexibase
1.67,5.67,-0.32,2,2,0, 197.346, 1

Similar to: 19723318,
66442604
 
#70

eMolecules: 36503878
Molport: MolPort-019-825-999
IBScreen: STOCK7S-17173
IBScreen BuildingBlocks: BB_SC-10010
Mcule: MCULE-4177802065...10 total

ref: mol2, SDF, SMILES, flexibase
2.33,6.22,-7.92,0,3,0, 232.125, 3
66442602
 
#71

eMolecules: 36503876, 44238518
Molport: MolPort-019-827-559, MolPort-023-308-870
IBScreen: STOCK7S-19099
IBScreen BuildingBlocks: BB_SC-10009
Mcule: MCULE-9781707144...15 total

ref: mol2, SDF, SMILES, flexibase
2.24,6.38,-7.85,0,3,0, 218.098, 3
66442601
 
#72

eMolecules: 36503874
Molport: MolPort-019-826-132
IBScreen: STOCK7S-17338
IBScreen BuildingBlocks: BB_SC-10008
Mcule: MCULE-1628376291...10 total

ref: mol2, SDF, SMILES, flexibase
0.33,3.92,-13.84,0,4,0, 156.576, 1
66442599
 
#73

eMolecules: 36503872
Molport: MolPort-019-828-291
IBScreen: STOCK7S-19992
IBScreen BuildingBlocks: BB_SC-10007
Mcule: MCULE-9717116481...12 total

ref: mol2, SDF, SMILES, flexibase
2.14,7.01,-9.33,0,3,0, 207.664, 2
66442597
 
#74

eMolecules: 36503870
Molport: MolPort-019-826-384
IBScreen: STOCK7S-17649
IBScreen BuildingBlocks: BB_SC-10006
Mcule: MCULE-2039329727...14 total

ref: mol2, SDF, SMILES, flexibase
0.24,4.08,-17.43,0,4,0, 142.549, 1
66442595
 
#75

eMolecules: 36503868
Molport: MolPort-019-828-377
IBScreen: STOCK7S-20096
IBScreen BuildingBlocks: BB_SC-10005
Mcule: MCULE-3350020317...9 total

ref: mol2, SDF, SMILES, flexibase
3.14,5.95,-8.2,1,3,0, 214.055, 1
mid: mol2, SDF, SMILES, flexibase
3.14,5.61,-39.68,0,3,-1, 213.047, 1
66442593
 
#76

eMolecules: 36503866
Molport: MolPort-019-827-646
IBScreen: STOCK7S-19208
IBScreen BuildingBlocks: BB_SC-10004
Mcule: MCULE-3825343096...9 total

ref: mol2, SDF, SMILES, flexibase
3.31,5.61,-5.86,1,3,0, 258.506, 1
mid: mol2, SDF, SMILES, flexibase
3.31,5.48,-34.81,0,3,-1, 257.498, 1
64875214
 
#77

eMolecules: 36503864
Molport: MolPort-019-828-186
IBScreen: STOCK7S-19866
IBScreen BuildingBlocks: BB_SC-10003
Mcule: MCULE-7189463157...10 total

ref: mol2, SDF, SMILES, flexibase
3.18,5.49,-34.49,0,3,-1, 213.047, 1
mid: mol2, SDF, SMILES, flexibase
3.18,5.64,-4.33,1,3,0, 214.055, 1
mid: mol2, SDF, SMILES, flexibase
3.18,5.45,-34.51,0,3,-1, 213.047, 1
66442592
 
#78

eMolecules: 36503861, 44238049
Molport: MolPort-019-828-355, MolPort-023-308-644
IBScreen: STOCK7S-20068
IBScreen BuildingBlocks: BB_SC-10000
Molport BB: MolPort-019-828-355...10 total

ref: mol2, SDF, SMILES, flexibase
2.30,5.48,-48.03,3,4,1, 253.757, 1
3734617
 
#79

ChemMol: 44019712
Molport: MolPort-009-197-217
ACB Blocks: C6A-0067
AK Scientific: P417, X4823
AKOS: AKOS015844296...66 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.16,-31.79,2,1,1, 252.381, 3
hi: mol2, SDF, SMILES, flexibase
2.89,11.57,-52.82,3,8,1, 435.552, 1

Similar to: 32250897, 32250900, 32250904, 33824320, 33824321, ... 8 in total.
2582632
 
#80

ChemMol: 44019712
Molport: MolPort-009-197-217
ACB Blocks: C6A-0067
AK Scientific: P417, X4823
AKOS: AKOS015844296...66 total

ref: mol2, SDF, SMILES, flexibase
4.18,0.38,-36.44,2,1,1, 252.381, 3
hi: mol2, SDF, SMILES, flexibase
-0.82,-1.66,-17.21,4,7,0, 278.312, 4

Similar to: 3734617, 32250897, 32250900, 32250904, 33824320, ... 8 in total.
2572149
 
#81

ChemMol: 1035299, 44015541, 30115014, 1200221, 98001667, 30110785, 97801075, 96707795, 44001149
eMolecules: 911558
Acorn PharmaTech: ACN-S002620
Alfa-Aesar: H26190
Angene Building Blocks: AGN-PC-0CZ0E7...69 total

ref: mol2, SDF, SMILES, flexibase
1.71,5.08,-42.62,0,2,-1, 189.112, 2

Similar to: 2382108,
32500122
 
#82

eMolecules: 36504157
Molport: MolPort-008-423-566
IBScreen: STOCK7S-23754
IBScreen BuildingBlocks: BB_SC-10303
Mcule: MCULE-8326085650...14 total

ref: mol2, SDF, SMILES, flexibase
1.17,4.55,-53.16,3,2,1, 179.218, 2

Similar to: 35882034,
59731333
 
#83

eMolecules: 36504155
Molport: MolPort-019-907-368
IBScreen: STOCK7S-21161
IBScreen BuildingBlocks: BB_SC-10302
Mcule: MCULE-2057614846...11 total

ref: mol2, SDF, SMILES, flexibase
2.66,7.8,-56.65,3,3,1, 267.352, 5
hi: mol2, SDF, SMILES, flexibase
2.66,7.41,-7.68,2,3,0, 266.344, 5

Similar to: 38230783,
2525851
 
#84

eMolecules: 36504153
Molport: MolPort-019-908-633
IBScreen: STOCK7S-22816
IBScreen BuildingBlocks: BB_SC-10301
Mcule: MCULE-1596443574...11 total

ref: mol2, SDF, SMILES, flexibase
2.66,7.81,-50.95,3,3,1, 267.352, 5
hi: mol2, SDF, SMILES, flexibase
2.66,7.41,-7.56,2,3,0, 266.344, 5
2534069
 
#85

eMolecules: 704329
ACB Blocks: MIX-0013
AKOS: AKOS001476258
Aldrich CPR: CDS009598|ALDRICH
BioBlocks: A4499/0192371...30 total

ref: mol2, SDF, SMILES, flexibase
2.34,0.1,-51.05,1,4,-1, 222.607, 2

Similar to: 530438,
4384367
 
#86

eMolecules: 27332730
Molport: MolPort-006-067-207, MolPort-022-257-609
AKOS: AKOS000506102, AKOS004123400
Alinda: IBS-B0005455
Alinda Building Blocks: ALBB-005455...31 total

ref: mol2, SDF, SMILES, flexibase
-0.42,-3.08,-52.15,2,5,-1, 141.106, 2

Similar to: 20029292, 39133729,
8024673
 
#87

eMolecules: 31197175
Molport: MolPort-003-760-692
AKOS: AKOS002675257
Alinda Building Blocks: ALBB-017917
ChemDiv BuildingBlocks: BB57-2057...21 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.54,-52.1,1,4,-1, 199.255, 3

Similar to: 8024795, 4575171,
19894620
 
#88

eMolecules: 36504131, 25608026
Molport: MolPort-019-909-045
BioBlocks: A4484/0191828
BioBlocks BB: ZERO/010137
ChemBridge: 9197745...26 total

ref: mol2, SDF, SMILES, flexibase
0.32,2.56,-25.82,3,4,1, 203.269, 0

Similar to: 19894621, 19894622, 19894623, 34925714, 34925718, ... 9 in total.
20269872
 
#89

eMolecules: 36504117
Molport: MolPort-005-261-221
IBScreen: STOCK7S-23907
IBScreen BuildingBlocks: BB_SC-10273
Mcule: MCULE-8327865602...13 total

ref: mol2, SDF, SMILES, flexibase
-0.59,0.56,-43.27,3,5,1, 235.311, 4
hi: mol2, SDF, SMILES, flexibase
-0.59,-0.88,-10.24,2,5,0, 234.303, 4
lo: mol2, SDF, SMILES, flexibase
-0.59,2.75,-117.53,4,5,2, 236.319, 4
lo: mol2, SDF, SMILES, flexibase
-0.59,1.02,-84.15,4,5,2, 236.319, 4

Similar to: 37822237,
20564758
 
#90

eMolecules: 36504115, 37471266
Molport: MolPort-005-185-585, MolPort-019-908-214
AK Scientific: 2387AD
American Custom Chemicals Corp.: CHM0146697
Ark Pharm Building Blocks: AK-66539...23 total

ref: mol2, SDF, SMILES, flexibase
-0.13,1.13,-43.16,3,4,1, 180.231, 4
hi: mol2, SDF, SMILES, flexibase
-0.13,-0.34,-9.51,2,4,0, 179.223, 4
lo: mol2, SDF, SMILES, flexibase
-0.13,1.57,-90.8,4,4,2, 181.239, 4

Similar to: 21814020, 21816656, 36771591, 44646868, 44646870, ... 5 in total.
20247412
 
#91

eMolecules: 18628031
Molport: MolPort-006-016-166, MolPort-005-312-034
Enamine Building Blocks: EN300-57790, EN300-33436
IBScreen: STOCK7S-20777
IBScreen BuildingBlocks: BB_SC-10270...22 total

ref: mol2, SDF, SMILES, flexibase
0.17,1.42,-53.61,3,5,1, 256.351, 4
mid: mol2, SDF, SMILES, flexibase
0.17,0.03,-9.72,2,5,0, 255.343, 4
64875646
 
#92

eMolecules: 36504114, 43435366
Molport: MolPort-023-280-664, MolPort-019-907-755
IBScreen: STOCK7S-21698
IBScreen BuildingBlocks: BB_SC-10269
Mcule: MCULE-5900241710...15 total

ref: mol2, SDF, SMILES, flexibase
1.05,3.93,-50.78,3,4,1, 204.253, 2
mid: mol2, SDF, SMILES, flexibase
1.05,2.49,-8.92,2,4,0, 203.245, 2
hi: mol2, SDF, SMILES, flexibase
1.51,1.33,-48.33,2,4,0, 203.245, 2

Similar to: 15454665,
4227458
 
#93

eMolecules: 2566219, 11008911
Molport: MolPort-002-316-767
Scientific Exchange (make on demand): F-127546
AK Scientific: 8142AC
AKOS: AKOS005111269...53 total

ref: mol2, SDF, SMILES, flexibase
2.59,-1.53,-44.84,3,2,1, 214.288, 4

Similar to: 32101022, 32101039, 32103366, 32110123, 32110125, ... 9 in total.
34741612
 
#94

eMolecules: 2869311
Molport: MolPort-002-470-133
AKOS: AKOS002671081
Asinex: ART10308695
BioBlocks: A4418/0188585...34 total

ref: mol2, SDF, SMILES, flexibase
1.06,4.73,-29.89,3,3,1, 188.254, 2
mid: mol2, SDF, SMILES, flexibase
1.06,5.05,-111.73,4,3,2, 189.262, 2
mid: mol2, SDF, SMILES, flexibase
1.06,4.15,-7.85,2,3,0, 187.246, 2

Similar to: 34685090, 34685020, 34685019, 3888548, 3888549, ... 5 in total.
34741610
 
#95

eMolecules: 2869311
Molport: MolPort-002-470-133
AKOS: AKOS002671081
Asinex: ART10308695
BioBlocks: A4418/0188585...34 total

ref: mol2, SDF, SMILES, flexibase
1.06,4.71,-28.58,3,3,1, 188.254, 2
mid: mol2, SDF, SMILES, flexibase
1.06,5.01,-111.25,4,3,2, 189.262, 2
mid: mol2, SDF, SMILES, flexibase
1.06,4.14,-7.27,2,3,0, 187.246, 2

Similar to: 34685090, 34685020, 34685019, 3888548, 3888549, ... 5 in total.
20270123
 
#96

eMolecules: 9988608
Molport: MolPort-002-744-009
IBScreen: STOCK7S-22989
IBScreen BuildingBlocks: BB_SC-10264
Mcule: MCULE-8794605524...16 total

ref: mol2, SDF, SMILES, flexibase
0.72,1.97,-47.89,3,5,1, 264.349, 5

Similar to: 22154460,
20270085
 
#97

eMolecules: 36504112, 36834404
Molport: MolPort-019-906-905, MolPort-008-438-939
IBScreen: STOCK7S-20567
IBScreen BuildingBlocks: BB_SC-10263
Mcule: MCULE-3515543401...17 total

ref: mol2, SDF, SMILES, flexibase
0.71,2.69,-45.09,3,4,1, 234.323, 4
hi: mol2, SDF, SMILES, flexibase
0.71,1.34,-8.71,2,4,0, 233.315, 4

Similar to: 22152370, 22168129, 22175374,
35126919
 
#98

eMolecules: 36504110
Molport: MolPort-008-438-938
IBScreen: STOCK7S-21649
IBScreen BuildingBlocks: BB_SC-10262
Mcule: MCULE-9193577920...13 total

ref: mol2, SDF, SMILES, flexibase
-2.52,3.31,-33.05,1,6,0, 229.28, 4
mid: mol2, SDF, SMILES, flexibase
-2.52,3.32,-55.73,1,6,0, 229.28, 4
mid: mol2, SDF, SMILES, flexibase
-2.52,1.13,-49.52,0,6,-1, 228.272, 4
315188
 
#99

eMolecules: 815973
Molport: MolPort-000-876-460
Scientific Exchange (make on demand): E-025628, M-200258
AKOS: AKOS001652065
ChemDiv: 4161-2533...25 total

ref: mol2, SDF, SMILES, flexibase
1.47,6.58,-41.51,1,4,1, 210.253, 4

Similar to: 5721929, 5721966, 5723306, 5723315, 33685062, ... 35 in total.
32099437
 
#100

ChemMol: 44014631
eMolecules: 16646234
Molport: MolPort-006-170-914
AK Scientific: 0739AA
Aldrich CPR: BBO000569|ALDRICH...36 total

ref: mol2, SDF, SMILES, flexibase
1.69,2.53,-30.34,3,3,1, 175.211, 1
hi: mol2, SDF, SMILES, flexibase
1.69,2.13,-12,2,3,0, 174.203, 1

Similar to: 34234429, 38579426, 39316080,

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 = 326 ) limit 0,100

Smiles were