Table 1:

List of the 20 compounds from the NCI library with the best docking scores to the MlaC protein.

ranking	NCI compound number	binding energy (kcal/mol)
1	268251	−13.53
2	354844	−13.50
3	227186	−13.14
4	345647	−13.12
5	37553	−12.90
6	122819	−12.48
7	89821	−12.37
8	91397	−12.08
9	111210	−12.08
10	128606	−12.05
11	84100	−11.96
12	335504	−11.83
13	275266	−11.79
14	309892	−11.75
15	9037	−11.74
16	163443	−11.69
17	80997	−11.69
18	654260	−11.64
19	186200	−11.63
20	156565	−11.61