Table 1.
Canonical smiles of selected ligands.
| Compound No. | Compound | PubChem CID | Canonical Smiles |
|---|---|---|---|
| 1 | Hexadecanoic acid | 985 | CCCCCCCCCCCCCCCC(=O)O |
| 2 | Cis-Vaccenic acid | 5282761 | CCCCCCC=CCCCCCCCCCC(=O)O |
| 3 | 2,2-Diphenyl-1,3-benzodioxole | 343959 | C1=CC=C(C=C1)C2(OC3=CC=CC=C3O2)C4=CC=CC=C4 |
| 4 | Cyclohexanone,2-(3-chloro-2-butenyl) -2-methyl-6,6-diphenyl | 57116063 | CC(=CCC1(CCCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C)Cl |
| 5 | Palmitoyl chloride | 8206 | CCCCCCCCCCCCCCCC(=O)Cl |
| 6 | Piperazinedione,4-benzoyl-,2-oxime | 135594388 | C1C(=NO)NC(=O)CN1C(=O)C2=CC=CC=C2 |
| 7 | 3-Chloro-N-isochroman-1-ylmethyl-propionamide | 583868 | C1COC(C2=CC=CC=C21)CNC(=O)CCCl |
| 8 | (Z)-1-(1-Ethoxyethoxy)hex-3-ene | 108504 | CCC=CCCOC(C)OCC |
| 9 | Phenacylidene diacetate | 569561 | CC(=O)OC(C(=O)C1=CC=CC=C1)OC(=O)C |
| 10 | L-Galactose, 6-deoxy-2-O-methyl- | 169586 | CC(C(C(C(C=O)O)O)O)O |
| 11 | 3,7,11,15-tetramethylhexadec-2-en-1-ol/phytol | 145386 | CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C |
| 12 | 2-Pyrazoline,1-isopropyl-5-methyl | 573933 | CC1CC=NN1C(C)C |
| 13 | 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl | 119838 | CC1=C(C(=O)C(CO1)O)O |
| 14 | 1,2,3-Cyclopentanetriol | 92530 | C1CC(C(C1O)O)O |