Table 2.

Two dimensional representations of 20 compounds retrieved from PubChem database and following docking simulations. Among them, 1a, 2d, and 3a were chosen for further evaluations.

Compounds	PubChem IDs	Structures	Binding energies
1a	362562		-9.5
1b	1680		-8.1
1c	3322970		-7.4
1d	454890		-8.8
1e	500224		-7.8
1f	390101		-7.8
2a	5357627		-8.3
2b	375234		-9.3
2c	228560		-8.3
2d	5381483		-9
2e	5382848		-10
2f	54676828		-7.5
2g	54678441		-7.5
3a	5358846		-9.8
3b	403815		-8.8
3c	403814		-9.3
4a	18834		-7.3
4b	135457174		-8.4
4c	312768		-7.2
4d	5298		-8