Global ID	Molecule number	Isotope number	TIPS file available
1	1	1	yes
2	1	2	yes
3	1	3	yes
4	1	4	yes
5	1	5	yes
6	1	6	yes
7	2	1	yes
8	2	2	yes
9	2	3	yes
10	2	4	yes
11	2	5	yes
12	2	6	yes
13	2	7	yes
14	2	8	yes
15	2	10	yes
16	3	1	yes
17	3	2	yes
18	3	3	yes
19	3	4	yes
20	3	5	yes
21	4	1	yes
22	4	2	yes
23	4	3	yes
24	4	4	yes
25	4	5	yes
26	5	1	yes
27	5	2	yes
28	5	3	yes
29	5	4	yes
30	5	5	yes
31	5	6	yes
32	6	1	yes
33	6	2	yes
34	6	3	yes
35	6	4	yes
36	7	1	yes
37	7	2	yes
38	7	3	yes
39	8	1	yes
40	8	2	yes
41	8	3	yes
42	9	1	yes
43	9	2	yes
44	10	1	yes
45	11	1	yes
46	11	2	yes
47	12	1	yes
48	13	1	yes
49	13	2	yes
50	13	3	yes
51	14	1	yes
52	15	1	yes
53	15	2	yes
54	16	1	yes
55	16	2	yes
56	17	1	yes
57	18	1	yes
58	18	2	yes
59	19	1	yes
60	19	2	yes
61	19	3	yes
62	19	4	yes
63	19	5	yes
64	20	1	yes
65	20	2	yes
66	20	3	yes
67	21	1	yes
68	21	2	yes
69	22	1	yes
70	23	1	yes
71	23	2	yes
72	23	3	yes
73	24	1	yes
74	24	2	yes
75	25	1	yes
76	26	1	yes
77	26	2	yes
78	27	1	yes
79	28	1	yes
80	29	1	yes
81	31	1	yes
82	31	2	yes
83	31	3	yes
84	32	1	yes
85	33	1	yes
86	34	1	no
87	36	1	yes
88	37	1	yes
89	37	2	yes
90	38	1	yes
91	38	2	yes
92	39	1	yes
93	40	1	yes
94	40	2	yes
95	41	1	yes
96	42	1	yes
97	46	1	yes
98	46	2	yes
99	46	3	yes
100	46	4	yes
101			no
102			no
103	45	1	yes
104			no
105	26	3	yes
106	27	2	yes
107	15	3	yes
108	15	4	yes
109	44	1	yes
110	14	2	yes
111	16	3	yes
112	16	4	yes
113	17	2	yes
114	47	1	yes
115	45	2	yes
116	43	1	yes
117	12	2	yes
118	22	2	yes
119	29	2	yes
120	2	11	yes
121	2	9	yes
122	2	12	yes
123	48	1	yes
124	49	1	yes
125	49	2	yes
126	30	1	yes
127	35	1	yes
128	35	2	yes
129	1	7	yes