1

2

3

4

5

6

7

8

MLFER_A

minsssN

MDEC-23

C3SP2

C2SP2

LipoaffinityIndex

XLogP

MDEC-22

9

10

11

12

13

…

49

50

SwHBa

minsOH

apol

n6Ring

ATSc4

…

nF8Ring

maxdssC