Ligands	score	ΔG_HB	ΔG_lipo	ΔG_rot	ΔG_bind
S41	99.93	−6.08	−30.33	3.32	−38.57
3S	104.16	−6.27	−31.85	3.27	−40.33
3Se	103.97	−5.23	−31.55	3.31	−38.95
1S	103.09	−3.09	−34.36	3.23	−39.70
3O	101.55	−6.35	−30.88	3.31	−39.40
9O	100.90	−6.22	−28.39	3.40	−36.69
8O	100.78	−6.32	−28.60	3.44	−36.96
4S	100.65	−3.31	−32.28	3.27	−37.74
9Se	100.45	−5.61	−29.33	3.36	−37.06
4O	100.35	−6.45	−30.47	3.31	−39.08
5O	100.14	−4.82	−31.11	3.32	−38.09
1O	100.12	−6.46	−30.90	3.31	−39.53
9S	99.95	−5.13	−30.94	3.32	−38.22
1Se	99.80	−3.23	−32.89	3.27	−38.33
4Se	99.77	−4.10	−30.37	3.31	−36.64
8S	99.39	−6.11	−30.76	3.32	−39.03
10O	98.97	−6.42	−28.92	3.36	−37.47
5Se	98.28	−3.32	−31.74	3.28	−37.26
5S	97.81	−3.32	−34.56	3.20	−40.16
8Se	97.74	−5.50	−29.61	3.36	−37.23
10Se	97.71	−6.15	−28.53	3.36	−36.80
2O	95.98	−6.47	−29.77	4.13	−37.59
10S	95.59	−6.34	−29.89	3.32	−38.39
6S	95.51	−4.76	−29.53	3.35	−36.41
6Se	95.16	−3.98	−28.48	3.40	−34.54
6O	94.72	−6.19	−27.31	3.53	−35.45
7S	93.03	−3.42	−27.87	4.31	−32.46
2S	92.41	−2.86	−33.41	3.78	−37.97
7Se	89.21	−5.10	−27.51	4.47	−33.63
2Se	88.21	−3.30	−30.12	3.90	−35.01
7O	87.61	3.94	−25.81	4.77	−30.45