hfr2scandc4.xlsx

	A	B	C	D	E	F
1	setname	rxnidx	Ecalc	Eref	AE	S
2	AL2X6	1	39.87	38.5	1.37	1.36
3	AL2X6	2	52.4	51.6	0.8	0.14
4	AL2X6	3	32.09	32.5	0.41	0.63
5	AL2X6	4	39.2	38.4	0.8	1.2
6	AL2X6	5	32.74	31.2	1.54	0.82
7	AL2X6	6	25.56	23.1	2.46	0.53
8	ALK8	1	89.78	86.47	3.31	3.93
9	ALK8	2	57.78	53.15	4.63	2.11
10	ALK8	3	132.99	131.13	1.86	0.26
11	ALK8	4	34.63	34.51	0.12	0.17
12	ALK8	5	47.48	47.42	0.06	0.22
13	ALK8	6	67.57	66.28	1.29	1.18
14	ALK8	7	55.24	56.55	1.31	0.14
15	ALK8	8	23.7	25.3	1.6	0.24
16	ALKBDE10	1	143.38	138.7	4.68	2.82
17	ALKBDE10	2	108.78	106.6	2.18	4.49
18	ALKBDE10	3	106.33	96.2	10.13	12.93
19	ALKBDE10	4	137.69	142.1	4.41	1.45
20	ALKBDE10	5	114.55	117.5	2.95	3.13
21	ALKBDE10	6	133.08	139.2	6.12	1.85
22	ALKBDE10	7	81.8	82.5	0.7	1.05
23	ALKBDE10	8	53.79	62.2	8.41	6.54
24	ALKBDE10	9	53.37	56.7	3.33	2.75
25	ALKBDE10	10	61.48	65.2	3.72	1.5
26	BH76RC	1	-60.44	-64.91	4.47	7.45
27	BH76RC	2	-30.38	-26.32	4.06	2.67
28	BH76RC	3	-103.99	-103.28	0.71	4.49
29	BH76RC	4	-50.18	-52.64	2.46	2.3
30	BH76RC	5	-34.37	-32.16	2.21	1.72
31	BH76RC	6	-27.7	-26.12	1.58	3.02
32	BH76RC	7	-20.14	-20.32	0.18	0.42
33	BH76RC	8	-38.07	-36.71	1.36	0.69
34	BH76RC	9	2.17	3.69	1.52	6.22
35	BH76RC	10	-26.02	-19.55	6.47	0.78
36	BH76RC	11	-46.64	-40.02	6.62	1.27
37	BH76RC	12	-28.7	-26.56	2.14	0.07
38	BH76RC	13	-14.33	-15.06	0.73	0
39	BH76RC	14	-1.86	-1.9	0.04	0.99
40	BH76RC	15	-13.58	-16.39	2.81	0.58
41	BH76RC	16	0.59	-3.11	3.7	1.07
42	BH76RC	17	-14.17	-13.28	0.89	0.5
43	BH76RC	18	-10.46	-10.32	0.14	0.11
44	BH76RC	19	-1.27	-5.01	3.74	0.09
45	BH76RC	20	-18.13	-16.84	1.29	0.1
46	BH76RC	21	-30.01	-32.22	2.21	0.94
47	BH76RC	22	-0.77	5.44	6.21	0.72
48	BH76RC	23	-24.15	-21.74	2.41	1.31
49	BH76RC	24	0.18	-2.32	2.5	0.35
50	BH76RC	25	-14.7	-13.26	1.44	1.24
51	BH76RC	26	-2.04	0.42	2.46	0.63
52	BH76RC	27	-8.04	-13.12	5.08	1
53	BH76RC	28	-4.08	-9.56	5.48	0.6
54	BH76RC	29	-7.67	-6.52	1.15	0.21
55	BH76RC	30	-3.71	-2.96	0.75	0.61
56	DC13	1	-2.04	-1	1.04	2.99
57	DC13	2	-9.24	-7.7	1.54	13.23
58	DC13	3	-7.16	-15.2	8.04	4.81
59	DC13	4	-17.2	-18.8	1.6	0.88
60	DC13	5	-23.88	-22.9	0.98	5.87
61	DC13	6	-8.2	-25.7	17.5	1.41
62	DC13	7	-36.66	-38.9	2.24	5.82
63	DC13	8	-119.68	-92	27.68	13.2
64	DC13	9	-81.8	-106	24.2	17.52
65	DC13	10	119.66	109.92	9.74	5.95
66	DC13	11	-67.91	-65.3	2.61	7.27
67	DC13	12	-59.85	-58.7	1.15	19.96
68	DC13	13	157.84	152.6	5.24	0.37
69	DIPCS10	1	523.18	529.2	6.02	0.35
70	DIPCS10	2	662.54	667.1	4.56	1.84
71	DIPCS10	3	653.3	655.8	2.5	3.52
72	DIPCS10	4	628.44	626.9	1.54	0.16
73	DIPCS10	5	779.38	776.5	2.88	0.05
74	DIPCS10	6	747.77	747.6	0.17	2.36
75	DIPCS10	7	738.6	733	5.6	0.35
76	DIPCS10	8	650.14	649.6	0.54	0.9
77	DIPCS10	9	515.49	522.1	6.61	0.03
78	DIPCS10	10	621.77	634.8	13.03	0.23
79	FH51	1	-149.37	-150.81	1.44	0.95
80	FH51	2	-144.89	-144.38	0.51	1.29
81	FH51	3	-89.69	-89.35	0.34	0.43
82	FH51	4	-82.77	-82.55	0.22	0.99
83	FH51	5	-78.33	-78.51	0.18	0.57
84	FH51	6	-63.21	-66.96	3.75	0.36
85	FH51	7	-62.1	-63.89	1.79	0.75
86	FH51	8	-58.04	-58.53	0.49	3.65
87	FH51	9	-57.45	-56.64	0.81	0.6
88	FH51	10	-51.87	-52.85	0.98	3.2
89	FH51	11	-54.36	-52.6	1.76	0.84
90	FH51	12	-48.69	-46.72	1.97	0.51
91	FH51	13	-46.21	-44.82	1.39	0.36
92	FH51	14	-44.94	-43.67	1.27	0.47
93	FH51	15	-46.18	-42.89	3.29	1.96
94	FH51	16	-38.95	-37.08	1.87	0.79
95	FH51	17	-36.71	-34.93	1.78	3.01
96	FH51	18	-32.75	-32.47	0.28	1.26
97	FH51	19	-32.75	-32.1	0.65	0.9
98	FH51	20	-32.47	-31.22	1.25	0.74
99	FH51	21	-31.34	-29.98	1.36	1.91
100	FH51	22	-27.68	-25.84	1.84	0.21