1	3HO	(3s)-3-hydroxyoctanoic acid	1.000
2	OOA	3-oxooctanoic acid	1.000
3	BKA	3-oxoheptanoic acid	0.909
4	DKO	Octane-1,1-diol	0.909
5	OCA	Octanoic acid (caprylic acid)	0.909
6	OTT	(2e,4e,6e)-octa-2,4,6-trienoic acid	0.909
7	5UF	(3~{S})-3-oxidanyldecanoic acid	0.846
8	02G	(3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid	0.833
9	6FH	(6~{S})-6-methyloctanoic acid	0.833
10	8AC	8-aminooctanoic acid	0.833
11	C9T	(2~{R})-2-methyloctanoic acid	0.833
12	FA7	(2z,4e)-7-methylocta-2,4-dienoic acid	0.833
13	HOC	(2s)-2-hydroxyoctanoic acid	0.833
14	KNA	Nonanoic acid	0.833
15	SH6	8-bromooctanoic acid	0.833
16	UIT	(2r)-2-oxidanyloctanoic acid	0.833
17	XC0	(2s)-2-aminooctanoic acid	0.833
18	3OL	(3r)-oct-1-en-3-ol	0.818
19	3OM	(3s)-1-octen-3-ol	0.818
20	DKL	Heptane-1,1-diol	0.818
21	OC9	Octan-1-ol	0.818
22	OYA	Octanal	0.818
23	R0M	(2e,4e)-hepta-2,4-dienoic acid	0.818
24	SHV	Heptanoic acid	0.818
25	BMT	4-methyl-4-[(E)-2-butenyl]-4,N-methyl-threonine	0.786
26	M8O	4-maleylacetoacetic acid	0.786
27	TMD	(6,7-dihydro)4-[(E)-butenyl]-4,N-dimethyl-threonine	0.786
28	1KC	(3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid	0.769
29	58X	(2e)-3,7-dimethylocta-2,6-dienoic acid	0.769
30	7FI	(2r,3r)-6-methyl-2,3-bis(oxidanyl)heptanoic acid	0.769
31	7I3	(z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid	0.769
32	CWF	(8s)-8-azanylnonanoic acid	0.769
33	DKA	Decanoic acid	0.769
34	HHD	(3s)-3-hydroxyheptanedioic acid	0.769
35	HHK	(2s)-2,8-diaminooctanoic acid	0.769
36	MKD	(2s)-2-amino-2-methyloctanoic acid	0.769
37	OCE	Octanedioic acid	0.769
38	RED	Dihydrolipoic acid	0.769
39	STA	Statine	0.769
40	T09	(2s,4r)-2-amino-4-methyloctanoic acid	0.769
41	T55	8-methylnonanoic acid	0.769
42	W2L	(4~{S},6~{S})-4,6-dimethyloctanoic acid	0.769
43	ZEU	9-hydroxynonanoic acid	0.769
44	011	7-aminoheptanoic acid	0.750
45	2K3	3-oxo-5-methylhexanoic acid	0.750
46	39Y	(2e,5s)-5-methylhept-2-enoic acid	0.750
47	6F5	6-methylheptanoic acid	0.750
48	7F2	(2r)-octane-1,2-diol	0.750
49	AHP	2-amino-heptanoic acid	0.750
50	F09	Nonan-1-ol	0.750
51	HT3	(2r,3s)-heptane-1,2,3-triol	0.750
52	HTH	(2s,3r)-heptane-1,2,3-triol	0.750
53	HTO	Heptane-1,2,3-triol	0.750
54	IC0	Fmoc-(S)-2-(4-pentenyl)-glycine	0.750
55	KMH	(5s)-5-amino-3-oxo-hexanoic acid	0.750
56	ODI	Octane-1,8-diol	0.750
57	RE6	(5r)-5-methylheptanoic acid	0.750
58	3LA	3-oxododecanoic acid	0.733
59	DMT	3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid	0.733
60	XXA	2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-L-xylonic acid	0.733
61	YYA	2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-L-xylonic acid	0.733
62	6NA	Hexanoic acid	0.727
63	DKF	Hexane-1,1-diol	0.727
64	HE4	Heptan-1-ol	0.727
65	HTX	Heptan-2-one	0.727
66	OCT	N-octane	0.727
67	QT8	3-oxidanylidenepentanoic acid	0.727
68	UNL	Unknown ligand	0.727
69	0EH	(2r)-2-amino-2-methylnonanoic acid	0.714
70	0XQ	(2r)-2,8-diamino-2-methyloctanoic acid	0.714
71	11A	Undecanoic acid	0.714
72	1E3	(2s)-2,9-diaminononanoic acid	0.714
73	4WQ	(2s)-2-amino-7,7-dimethyloctanoic acid	0.714
74	9OD	(2z)-9-oxodec-2-enoic acid	0.714
75	9R1	(2s)-2-aminooctanedioic acid	0.714
76	AZ1	Azelaic acid	0.714
77	DNN	7,8-diamino-nonanoic acid	0.714
78	KAP	7-keto-8-aminopelargonic acid	0.714
79	R6E	(2~{R})-2-azanyl-2-ethyl-octanoic acid	0.714
80	UZA	(2s,6e)-2-amino-2-methylnon-6-enoic acid	0.714