vgo_62_1_formula

id	C	H	O	N	S	DBE	molecular_weight	mass fraction_wtpct	compound type
1	19	40	0	0	0	0	268.32	0.361489	Saturates
2	20	42	0	0	0	0	282.336	0.604285	Saturates
3	21	44	0	0	0	0	296.352	1.16666	Saturates
4	22	46	0	0	0	0	310.368	1.73017	Saturates
5	23	48	0	0	0	0	324.384	2.81266	Saturates
6	24	50	0	0	0	0	338.4	4.31849	Saturates
7	25	52	0	0	0	0	352.416	6.37384	Saturates
8	26	54	0	0	0	0	366.432	8.26781	Saturates
9	27	56	0	0	0	0	380.448	7.22163	Saturates
10	28	58	0	0	0	0	394.464	3.08933	Saturates
11	29	60	0	0	0	0	408.48	2.42461	Saturates
12	30	62	0	0	0	0	422.496	1.8261	Saturates
13	31	64	0	0	0	0	436.512	1.79505	Saturates
14	32	66	0	0	0	0	450.528	1.71135	Saturates
15	33	68	0	0	0	0	464.544	1.5892	Saturates
16	34	70	0	0	0	0	478.56	1.35502	Saturates
17	35	72	0	0	0	0	492.576	1.2178	Saturates
18	36	74	0	0	0	0	506.592	0.894074	Saturates
19	37	76	0	0	0	0	520.608	0.75174	Saturates
20	38	78	0	0	0	0	534.624	0.607489	Saturates
21	39	80	0	0	0	0	548.64	0.372681	Saturates
22	16	32	0	0	0	1	224.256	0.078147	Saturates
23	17	34	0	0	0	1	238.272	0.146706	Saturates
24	18	36	0	0	0	1	252.288	0.163205	Saturates
25	19	38	0	0	0	1	266.304	0.218373	Saturates
26	20	40	0	0	0	1	280.32	0.328819	Saturates
27	21	42	0	0	0	1	294.336	0.395084	Saturates
28	22	44	0	0	0	1	308.352	0.551142	Saturates
29	23	46	0	0	0	1	322.368	0.705796	Saturates
30	24	48	0	0	0	1	336.384	0.892996	Saturates
31	25	50	0	0	0	1	350.4	1.09607	Saturates
32	26	52	0	0	0	1	364.416	1.2734	Saturates
33	27	54	0	0	0	1	378.432	1.05139	Saturates
34	28	56	0	0	0	1	392.448	0.750576	Saturates
35	29	58	0	0	0	1	406.464	0.545608	Saturates
36	30	60	0	0	0	1	420.48	0.418656	Saturates
37	31	62	0	0	0	1	434.496	0.364847	Saturates
38	32	64	0	0	0	1	448.512	0.347791	Saturates
39	33	66	0	0	0	1	462.528	0.301101	Saturates
40	34	68	0	0	0	1	476.544	0.347042	Saturates
41	35	70	0	0	0	1	490.56	0.301243	Saturates
42	36	72	0	0	0	1	504.576	0.370085	Saturates
43	37	74	0	0	0	1	518.592	0.295093	Saturates
44	38	76	0	0	0	1	532.608	0.2508	Saturates
45	39	78	0	0	0	1	546.624	0.219046	Saturates
46	40	80	0	0	0	1	560.64	0.265278	Saturates
47	19	36	0	0	0	2	264.288	0.227244	Saturates
48	20	38	0	0	0	2	278.304	0.465173	Saturates
49	21	40	0	0	0	2	292.32	0.427731	Saturates
50	22	42	0	0	0	2	306.336	0.622259	Saturates
51	23	44	0	0	0	2	320.352	0.908777	Saturates
52	24	46	0	0	0	2	334.368	1.27962	Saturates
53	25	48	0	0	0	2	348.384	1.65962	Saturates
54	26	50	0	0	0	2	362.4	1.74514	Saturates
55	27	52	0	0	0	2	376.416	1.20172	Saturates
56	28	54	0	0	0	2	390.432	1.08275	Saturates
57	29	56	0	0	0	2	404.448	0.686018	Saturates
58	30	58	0	0	0	2	418.464	0.548105	Saturates
59	31	60	0	0	0	2	432.48	0.365503	Saturates
60	22	40	0	0	0	3	304.32	0.401851	Saturates
61	23	42	0	0	0	3	318.336	0.962406	Saturates
62	24	44	0	0	0	3	332.352	1.10385	Saturates
63	25	46	0	0	0	3	346.368	1.17952	Saturates
64	26	48	0	0	0	3	360.384	1.14575	Saturates
65	27	50	0	0	0	3	374.4	1.02072	Saturates
66	28	52	0	0	0	3	388.416	0.591657	Saturates
67	29	54	0	0	0	3	402.432	0.372285	Saturates
68	23	40	0	0	0	4	316.32	0.280151	Saturates
69	24	42	0	0	0	4	330.336	0.2949	Saturates
70	25	44	0	0	0	4	344.352	0.387612	Saturates
71	26	46	0	0	0	4	358.368	0.456389	Saturates
72	27	48	0	0	0	4	372.384	0.375188	Saturates
73	28	50	0	0	0	4	386.4	0.235565	Saturates
74	21	36	0	0	0	4	288.288	0.161266	Aromatics
75	22	38	0	0	0	4	302.304	0.206753	Aromatics
76	23	40	0	0	0	4	316.32	0.324608	Aromatics
77	24	42	0	0	0	4	330.336	0.407502	Aromatics
78	25	44	0	0	0	4	344.352	0.542902	Aromatics
79	26	46	0	0	0	4	358.368	0.627717	Aromatics
80	27	48	0	0	0	4	372.384	0.469668	Aromatics
81	28	50	0	0	0	4	386.4	0.361881	Aromatics
82	29	52	0	0	0	4	400.416	0.255382	Aromatics
83	30	54	0	0	0	4	414.432	0.201613	Aromatics
84	18	28	0	0	0	5	244.224	0.079972	Aromatics
85	19	30	0	0	0	5	258.24	0.142276	Aromatics
86	20	32	0	0	0	5	272.256	0.135527	Aromatics
87	21	34	0	0	0	5	286.272	0.161576	Aromatics
88	22	36	0	0	0	5	300.288	0.234774	Aromatics
89	23	38	0	0	0	5	314.304	0.276214	Aromatics
90	24	40	0	0	0	5	328.32	0.419752	Aromatics
91	25	42	0	0	0	5	342.336	0.449081	Aromatics
92	26	44	0	0	0	5	356.352	0.500735	Aromatics
93	27	46	0	0	0	5	370.368	0.374348	Aromatics
94	28	48	0	0	0	5	384.384	0.300683	Aromatics
95	29	50	0	0	0	5	398.4	0.179979	Aromatics
96	19	28	0	0	0	6	256.224	0.089205	Aromatics
97	20	30	0	0	0	6	270.24	0.089244	Aromatics
98	21	32	0	0	0	6	284.256	0.185814	Aromatics
99	22	34	0	0	0	6	298.272	0.235097	Aromatics
100	23	36	0	0	0	6	312.288	0.219387	Aromatics
101	24	38	0	0	0	6	326.304	0.283963	Aromatics
102	25	40	0	0	0	6	340.32	0.347952	Aromatics
103	26	42	0	0	0	6	354.336	0.40288	Aromatics
104	27	44	0	0	0	6	368.352	0.259341	Aromatics
105	28	46	0	0	0	6	382.368	0.198607	Aromatics
106	29	48	0	0	0	6	396.384	0.1886	Aromatics
107	16	20	0	0	0	7	212.16	0.084448	Aromatics
108	17	22	0	0	0	7	226.176	0.151677	Aromatics
109	18	24	0	0	0	7	240.192	0.135842	Aromatics
110	19	26	0	0	0	7	254.208	0.125986	Aromatics
111	20	28	0	0	0	7	268.224	0.101172	Aromatics
112	21	30	0	0	0	7	282.24	0.126176	Aromatics
113	22	32	0	0	0	7	296.256	0.18749	Aromatics
114	23	34	0	0	0	7	310.272	0.222373	Aromatics
115	24	36	0	0	0	7	324.288	0.269573	Aromatics
116	25	38	0	0	0	7	338.304	0.259387	Aromatics
117	26	40	0	0	0	7	352.32	0.222599	Aromatics
118	27	42	0	0	0	7	366.336	0.160251	Aromatics
119	28	44	0	0	0	7	380.352	0.09604	Aromatics
120	18	22	0	0	0	8	238.176	0.048432	Aromatics
121	19	24	0	0	0	8	252.192	0.112421	Aromatics
122	20	26	0	0	0	8	266.208	0.163241	Aromatics
123	21	28	0	0	0	8	280.224	0.16582	Aromatics
124	22	30	0	0	0	8	294.24	0.177332	Aromatics
125	23	32	0	0	0	8	308.256	0.169293	Aromatics
126	24	34	0	0	0	8	322.272	0.152118	Aromatics
127	25	36	0	0	0	8	336.288	0.124204	Aromatics
128	26	38	0	0	0	8	350.304	0.102694	Aromatics
129	27	40	0	0	0	8	364.32	0.05655	Aromatics
130	28	42	0	0	0	8	378.336	0.051972	Aromatics
131	18	20	0	0	0	9	236.16	0.039081	Aromatics
132	19	22	0	0	0	9	250.176	0.09234	Aromatics
133	20	24	0	0	0	9	264.192	0.143344	Aromatics
134	21	26	0	0	0	9	278.208	0.16139	Aromatics
135	22	28	0	0	0	9	292.224	0.176087	Aromatics
136	23	30	0	0	0	9	306.24	0.184109	Aromatics
137	24	32	0	0	0	9	320.256	0.181139	Aromatics
138	25	34	0	0	0	9	334.272	0.175702	Aromatics
139	26	36	0	0	0	9	348.288	0.110093	Aromatics
140	18	18	0	0	0	10	234.144	0.083679	Aromatics
141	19	20	0	0	0	10	248.16	0.221702	Aromatics
142	20	22	0	0	0	10	262.176	0.302686	Aromatics
143	21	24	0	0	0	10	276.192	0.288518	Aromatics
144	22	26	0	0	0	10	290.208	0.207244	Aromatics
145	23	28	0	0	0	10	304.224	0.142557	Aromatics
146	24	30	0	0	0	10	318.24	0.093059	Aromatics
147	21	22	0	0	0	11	274.176	0.06141	Aromatics
148	22	24	0	0	0	11	288.192	0.12171	Aromatics
149	23	26	0	0	0	11	302.208	0.106175	Aromatics
150	24	28	0	0	0	11	316.224	0.099836	Aromatics
151	14	25	1	1	0	3	223.21	3e-06	Neutral nitrogen compounds
152	17	31	0	1	0	3	249.258	3e-06	Neutral nitrogen compounds
153	17	31	1	1	0	3	265.258	6e-06	Neutral nitrogen compounds
154	18	33	0	1	0	3	263.274	5e-06	Neutral nitrogen compounds
155	18	33	1	1	0	3	279.274	1.3e-05	Neutral nitrogen compounds
156	19	35	0	1	0	3	277.29	5e-06	Neutral nitrogen compounds
157	19	35	1	1	0	3	293.29	1.8e-05	Neutral nitrogen compounds
158	20	37	0	1	0	3	291.306	7e-06	Neutral nitrogen compounds
159	20	37	1	1	0	3	307.306	1.9e-05	Neutral nitrogen compounds
160	21	39	0	1	0	3	305.322	8e-06	Neutral nitrogen compounds
161	21	39	1	1	0	3	321.322	3e-05	Neutral nitrogen compounds
162	22	41	0	1	0	3	319.338	1.3e-05	Neutral nitrogen compounds
163	22	41	1	1	0	3	335.338	3e-05	Neutral nitrogen compounds
164	23	43	0	1	0	3	333.354	1.3e-05	Neutral nitrogen compounds
165	23	43	1	1	0	3	349.354	2.6e-05	Neutral nitrogen compounds
166	24	45	0	1	0	3	347.37	1.1e-05	Neutral nitrogen compounds
167	24	45	1	1	0	3	363.37	2.6e-05	Neutral nitrogen compounds
168	25	47	0	1	0	3	361.386	1e-05	Neutral nitrogen compounds
169	25	47	1	1	0	3	377.386	1.3e-05	Neutral nitrogen compounds
170	26	49	1	1	0	3	391.402	1.2e-05	Neutral nitrogen compounds
171	27	51	0	1	0	3	389.418	7e-06	Neutral nitrogen compounds
172	27	51	1	1	0	3	405.418	1e-05	Neutral nitrogen compounds
173	28	53	1	1	0	3	419.434	1.1e-05	Neutral nitrogen compounds
174	29	55	1	1	0	3	433.45	1.2e-05	Neutral nitrogen compounds
175	30	57	1	1	0	3	447.466	7e-06	Neutral nitrogen compounds
176	31	59	1	1	0	3	461.482	8e-06	Neutral nitrogen compounds
177	32	61	1	1	0	3	475.498	9e-06	Neutral nitrogen compounds
178	14	23	0	1	0	4	205.194	1e-05	Neutral nitrogen compounds
179	14	23	1	1	0	4	221.194	3e-06	Neutral nitrogen compounds
180	15	25	0	1	0	4	219.21	3.6e-05	Neutral nitrogen compounds
181	15	25	1	1	0	4	235.21	4e-06	Neutral nitrogen compounds
182	16	27	0	1	0	4	233.226	1.9e-05	Neutral nitrogen compounds
183	16	27	1	1	0	4	249.226	6e-06	Neutral nitrogen compounds
184	17	29	0	1	0	4	247.242	3.9e-05	Neutral nitrogen compounds
185	17	29	1	1	0	4	263.242	1.1e-05	Neutral nitrogen compounds
186	18	31	0	1	0	4	261.258	7.9e-05	Neutral nitrogen compounds
187	18	31	1	1	0	4	277.258	2.6e-05	Neutral nitrogen compounds
188	19	33	0	1	0	4	275.274	0.000173	Neutral nitrogen compounds
189	19	33	1	1	0	4	291.274	5.8e-05	Neutral nitrogen compounds
190	20	35	0	1	0	4	289.29	0.000314	Neutral nitrogen compounds
191	20	35	1	1	0	4	305.29	7.7e-05	Neutral nitrogen compounds
192	21	37	0	1	0	4	303.306	0.000479	Neutral nitrogen compounds
193	21	37	1	1	0	4	319.306	0.00014	Neutral nitrogen compounds
194	22	39	0	1	0	4	317.322	0.000761	Neutral nitrogen compounds
195	22	39	1	1	0	4	333.322	0.000105	Neutral nitrogen compounds
196	22	40	0	2	0	4	332.34	5e-06	Neutral nitrogen compounds
197	23	41	0	1	0	4	331.338	0.001599	Neutral nitrogen compounds
198	23	41	1	1	0	4	347.338	9.4e-05	Neutral nitrogen compounds
199	23	42	0	2	0	4	346.356	6e-06	Neutral nitrogen compounds
200	24	43	0	1	0	4	345.354	0.001651	Neutral nitrogen compounds
201	24	43	1	1	0	4	361.354	8.1e-05	Neutral nitrogen compounds
202	24	44	0	2	0	4	360.372	5e-06	Neutral nitrogen compounds
203	25	45	0	1	0	4	359.37	0.001698	Neutral nitrogen compounds
204	25	45	1	1	0	4	375.37	6.1e-05	Neutral nitrogen compounds
205	25	46	0	2	0	4	374.388	7e-06	Neutral nitrogen compounds
206	26	47	0	1	0	4	373.386	0.001477	Neutral nitrogen compounds
207	26	47	1	1	0	4	389.386	4.3e-05	Neutral nitrogen compounds
208	27	49	0	1	0	4	387.402	0.000735	Neutral nitrogen compounds
209	27	49	1	1	0	4	403.402	3.2e-05	Neutral nitrogen compounds
210	28	51	0	1	0	4	401.418	0.000363	Neutral nitrogen compounds
211	28	51	1	1	0	4	417.418	3.1e-05	Neutral nitrogen compounds
212	29	53	0	1	0	4	415.434	0.000219	Neutral nitrogen compounds
213	29	53	1	1	0	4	431.434	2.6e-05	Neutral nitrogen compounds
214	30	55	0	1	0	4	429.45	0.000153	Neutral nitrogen compounds
215	30	55	1	1	0	4	445.45	3.2e-05	Neutral nitrogen compounds
216	31	57	0	1	0	4	443.466	0.00016	Neutral nitrogen compounds
217	31	57	1	1	0	4	459.466	3e-05	Neutral nitrogen compounds
218	32	59	0	1	0	4	457.482	9.4e-05	Neutral nitrogen compounds
219	32	59	1	1	0	4	473.482	1.3e-05	Neutral nitrogen compounds
220	33	61	0	1	0	4	471.498	0.000132	Neutral nitrogen compounds
221	33	61	1	1	0	4	487.498	1.1e-05	Neutral nitrogen compounds
222	34	63	0	1	0	4	485.514	7.1e-05	Neutral nitrogen compounds
223	34	63	1	1	0	4	501.514	1.2e-05	Neutral nitrogen compounds
224	35	65	0	1	0	4	499.53	5.4e-05	Neutral nitrogen compounds
225	36	67	0	1	0	4	513.546	5.7e-05	Neutral nitrogen compounds
226	37	69	0	1	0	4	527.562	2.4e-05	Neutral nitrogen compounds
227	11	15	0	1	0	5	161.13	2e-06	Neutral nitrogen compounds
228	12	17	0	1	0	5	175.146	2e-06	Neutral nitrogen compounds
229	13	19	0	1	0	5	189.162	2e-06	Neutral nitrogen compounds
230	13	19	0	1	1	5	221.222	3e-06	Neutral nitrogen compounds
231	14	21	0	1	0	5	203.178	2.5e-05	Neutral nitrogen compounds
232	14	21	0	1	1	5	235.238	3e-06	Neutral nitrogen compounds
233	15	23	0	1	0	5	217.194	4.7e-05	Neutral nitrogen compounds
234	15	23	1	1	0	5	233.194	4e-06	Neutral nitrogen compounds
235	16	25	0	1	0	5	231.21	0.000143	Neutral nitrogen compounds
236	16	25	1	1	0	5	247.21	8e-06	Neutral nitrogen compounds
237	16	25	0	1	1	5	263.27	6e-06	Neutral nitrogen compounds
238	17	27	0	1	0	5	245.226	0.000254	Neutral nitrogen compounds
239	17	27	1	1	0	5	261.226	1.7e-05	Neutral nitrogen compounds
240	17	27	0	1	1	5	277.286	9e-06	Neutral nitrogen compounds
241	18	29	0	1	0	5	259.242	0.000303	Neutral nitrogen compounds
242	18	29	1	1	0	5	275.242	4.3e-05	Neutral nitrogen compounds
243	18	29	0	1	1	5	291.302	7e-06	Neutral nitrogen compounds
244	18	30	0	2	0	5	274.26	5e-06	Neutral nitrogen compounds
245	19	31	0	1	0	5	273.258	0.000582	Neutral nitrogen compounds
246	19	31	1	1	0	5	289.258	8e-05	Neutral nitrogen compounds
247	19	31	0	1	1	5	305.318	1.2e-05	Neutral nitrogen compounds
248	19	32	0	2	0	5	288.276	4e-06	Neutral nitrogen compounds
249	20	33	0	1	0	5	287.274	0.001007	Neutral nitrogen compounds
250	20	33	1	1	0	5	303.274	0.000128	Neutral nitrogen compounds
251	20	33	0	1	1	5	319.334	2.9e-05	Neutral nitrogen compounds
252	20	34	0	2	0	5	302.292	7e-06	Neutral nitrogen compounds
253	21	35	0	1	0	5	301.29	0.001919	Neutral nitrogen compounds
254	21	35	1	1	0	5	317.29	0.000158	Neutral nitrogen compounds
255	21	35	0	1	1	5	333.35	1e-05	Neutral nitrogen compounds
256	21	36	0	2	0	5	316.308	7e-06	Neutral nitrogen compounds
257	22	37	0	1	0	5	315.306	0.00297	Neutral nitrogen compounds
258	22	37	1	1	0	5	331.306	0.0002	Neutral nitrogen compounds
259	22	37	0	1	1	5	347.366	3e-05	Neutral nitrogen compounds
260	22	38	0	2	0	5	330.324	1e-05	Neutral nitrogen compounds
261	23	39	0	1	0	5	329.322	0.004032	Neutral nitrogen compounds
262	23	39	1	1	0	5	345.322	0.000128	Neutral nitrogen compounds
263	23	39	0	1	1	5	361.382	4.4e-05	Neutral nitrogen compounds
264	23	40	0	2	0	5	344.34	1.1e-05	Neutral nitrogen compounds
265	24	41	0	1	0	5	343.338	0.005336	Neutral nitrogen compounds
266	24	41	1	1	0	5	359.338	0.000102	Neutral nitrogen compounds
267	24	41	0	1	1	5	375.398	3.5e-05	Neutral nitrogen compounds
268	24	42	0	2	0	5	358.356	1.3e-05	Neutral nitrogen compounds
269	25	43	0	1	0	5	357.354	0.004698	Neutral nitrogen compounds
270	25	43	1	1	0	5	373.354	8.2e-05	Neutral nitrogen compounds
271	26	45	0	1	0	5	371.37	0.00266	Neutral nitrogen compounds
272	26	45	1	1	0	5	387.37	5.7e-05	Neutral nitrogen compounds
273	27	47	0	1	0	5	385.386	0.002124	Neutral nitrogen compounds
274	27	47	1	1	0	5	401.386	4.7e-05	Neutral nitrogen compounds
275	28	49	0	1	0	5	399.402	0.001442	Neutral nitrogen compounds
276	28	49	1	1	0	5	415.402	4.3e-05	Neutral nitrogen compounds
277	29	51	0	1	0	5	413.418	0.000851	Neutral nitrogen compounds
278	29	51	1	1	0	5	429.418	4e-05	Neutral nitrogen compounds
279	30	53	0	1	0	5	427.434	0.000637	Neutral nitrogen compounds
280	30	53	1	1	0	5	443.434	3.5e-05	Neutral nitrogen compounds
281	31	55	0	1	0	5	441.45	0.000613	Neutral nitrogen compounds
282	31	55	1	1	0	5	457.45	3.5e-05	Neutral nitrogen compounds
283	32	57	0	1	0	5	455.466	0.000427	Neutral nitrogen compounds
284	32	57	1	1	0	5	471.466	3.1e-05	Neutral nitrogen compounds
285	33	59	0	1	0	5	469.482	0.000587	Neutral nitrogen compounds
286	33	59	1	1	0	5	485.482	2e-05	Neutral nitrogen compounds
287	34	61	0	1	0	5	483.498	0.00025	Neutral nitrogen compounds
288	34	61	1	1	0	5	499.498	1.2e-05	Neutral nitrogen compounds
289	35	63	0	1	0	5	497.514	0.00017	Neutral nitrogen compounds
290	36	65	0	1	0	5	511.53	0.00011	Neutral nitrogen compounds
291	36	65	1	1	0	5	527.53	1.7e-05	Neutral nitrogen compounds
292	37	67	0	1	0	5	525.546	0.000113	Neutral nitrogen compounds
293	38	69	0	1	0	5	539.562	4.4e-05	Neutral nitrogen compounds
294	11	13	0	1	0	6	159.114	2e-06	Neutral nitrogen compounds
295	12	15	0	1	0	6	173.13	2e-06	Neutral nitrogen compounds
296	12	15	0	1	1	6	205.19	4e-06	Neutral nitrogen compounds
297	13	17	0	1	0	6	187.146	5e-06	Neutral nitrogen compounds
298	13	17	0	1	1	6	219.206	4e-06	Neutral nitrogen compounds
299	14	19	0	1	0	6	201.162	1.7e-05	Neutral nitrogen compounds
300	14	19	1	1	0	6	217.162	3e-06	Neutral nitrogen compounds
301	14	19	0	1	1	6	233.222	5e-06	Neutral nitrogen compounds
302	15	21	0	1	0	6	215.178	7.2e-05	Neutral nitrogen compounds
303	15	21	1	1	0	6	231.178	6e-06	Neutral nitrogen compounds
304	15	21	0	1	1	6	247.238	1.6e-05	Neutral nitrogen compounds
305	16	23	0	1	0	6	229.194	0.000172	Neutral nitrogen compounds
306	16	23	1	1	0	6	245.194	1.2e-05	Neutral nitrogen compounds
307	16	23	0	1	1	6	261.254	2.6e-05	Neutral nitrogen compounds
308	17	25	0	1	0	6	243.21	0.000448	Neutral nitrogen compounds
309	17	25	1	1	0	6	259.21	1.2e-05	Neutral nitrogen compounds
310	17	25	0	1	1	6	275.27	4.6e-05	Neutral nitrogen compounds
311	18	27	0	1	0	6	257.226	0.00116	Neutral nitrogen compounds
312	18	27	1	1	0	6	273.226	2.6e-05	Neutral nitrogen compounds
313	18	27	0	1	1	6	289.286	6.5e-05	Neutral nitrogen compounds
314	18	28	0	2	0	6	272.244	5e-06	Neutral nitrogen compounds
315	19	29	0	1	0	6	271.242	0.002284	Neutral nitrogen compounds
316	19	29	1	1	0	6	287.242	4.2e-05	Neutral nitrogen compounds
317	19	29	0	1	1	6	303.302	6.4e-05	Neutral nitrogen compounds
318	19	30	0	2	0	6	286.26	4e-06	Neutral nitrogen compounds
319	20	31	0	1	0	6	285.258	0.005233	Neutral nitrogen compounds
320	20	31	1	1	0	6	301.258	9.9e-05	Neutral nitrogen compounds
321	20	31	0	1	1	6	317.318	6.8e-05	Neutral nitrogen compounds
322	20	32	0	2	0	6	300.276	8e-06	Neutral nitrogen compounds
323	21	33	0	1	0	6	299.274	0.006266	Neutral nitrogen compounds
324	21	33	1	1	0	6	315.274	0.000131	Neutral nitrogen compounds
325	21	33	0	1	1	6	331.334	5e-05	Neutral nitrogen compounds
326	21	34	0	2	0	6	314.292	1.2e-05	Neutral nitrogen compounds
327	22	35	0	1	0	6	313.29	0.011157	Neutral nitrogen compounds
328	22	35	1	1	0	6	329.29	0.000107	Neutral nitrogen compounds
329	22	35	0	1	1	6	345.35	4e-05	Neutral nitrogen compounds
330	22	36	0	2	0	6	328.308	1.2e-05	Neutral nitrogen compounds
331	23	37	0	1	0	6	327.306	0.012862	Neutral nitrogen compounds
332	23	37	1	1	0	6	343.306	9.6e-05	Neutral nitrogen compounds
333	23	37	0	1	1	6	359.366	3e-05	Neutral nitrogen compounds
334	23	38	0	2	0	6	342.324	1.1e-05	Neutral nitrogen compounds
335	24	39	0	1	0	6	341.322	0.011108	Neutral nitrogen compounds
336	24	39	1	1	0	6	357.322	8.6e-05	Neutral nitrogen compounds
337	24	39	0	1	1	6	373.382	2.2e-05	Neutral nitrogen compounds
338	24	40	0	2	0	6	356.34	9e-06	Neutral nitrogen compounds
339	25	41	0	1	0	6	355.338	0.009404	Neutral nitrogen compounds
340	25	41	1	1	0	6	371.338	7.9e-05	Neutral nitrogen compounds
341	25	41	0	1	1	6	387.398	2.1e-05	Neutral nitrogen compounds
342	25	42	0	2	0	6	370.356	7e-06	Neutral nitrogen compounds
343	26	43	0	1	0	6	369.354	0.005297	Neutral nitrogen compounds
344	26	43	1	1	0	6	385.354	6e-05	Neutral nitrogen compounds
345	26	43	0	1	1	6	401.414	2.1e-05	Neutral nitrogen compounds
346	26	44	0	2	0	6	384.372	6e-06	Neutral nitrogen compounds
347	27	45	0	1	0	6	383.37	0.004153	Neutral nitrogen compounds
348	27	45	1	1	0	6	399.37	4.4e-05	Neutral nitrogen compounds
349	27	45	0	1	1	6	415.43	1.7e-05	Neutral nitrogen compounds
350	28	47	0	1	0	6	397.386	0.002824	Neutral nitrogen compounds
351	28	47	1	1	0	6	413.386	3.7e-05	Neutral nitrogen compounds
352	28	47	0	1	1	6	429.446	1.2e-05	Neutral nitrogen compounds
353	29	49	0	1	0	6	411.402	0.001618	Neutral nitrogen compounds
354	29	49	1	1	0	6	427.402	3.4e-05	Neutral nitrogen compounds
355	29	49	0	1	1	6	443.462	2.5e-05	Neutral nitrogen compounds
356	30	51	0	1	0	6	425.418	0.001246	Neutral nitrogen compounds
357	30	51	1	1	0	6	441.418	5.3e-05	Neutral nitrogen compounds
358	30	51	0	1	1	6	457.478	1.1e-05	Neutral nitrogen compounds
359	31	53	0	1	0	6	439.434	0.001033	Neutral nitrogen compounds
360	31	53	1	1	0	6	455.434	3.3e-05	Neutral nitrogen compounds
361	32	55	0	1	0	6	453.45	0.000712	Neutral nitrogen compounds
362	32	55	1	1	0	6	469.45	3e-05	Neutral nitrogen compounds
363	32	55	0	1	1	6	485.51	1.2e-05	Neutral nitrogen compounds
364	33	57	0	1	0	6	467.466	0.000548	Neutral nitrogen compounds
365	33	57	1	1	0	6	483.466	2.1e-05	Neutral nitrogen compounds
366	34	59	0	1	0	6	481.482	0.000398	Neutral nitrogen compounds
367	34	59	1	1	0	6	497.482	1.6e-05	Neutral nitrogen compounds
368	35	61	0	1	0	6	495.498	0.000462	Neutral nitrogen compounds
369	35	61	1	1	0	6	511.498	1.4e-05	Neutral nitrogen compounds
370	36	63	0	1	0	6	509.514	0.000242	Neutral nitrogen compounds
371	37	65	0	1	0	6	523.53	9.1e-05	Neutral nitrogen compounds
372	38	67	0	1	0	6	537.546	9.4e-05	Neutral nitrogen compounds
373	39	69	0	1	0	6	551.562	7.7e-05	Neutral nitrogen compounds
374	11	11	0	1	0	7	157.098	2e-06	Neutral nitrogen compounds
375	12	13	0	1	0	7	171.114	3e-06	Neutral nitrogen compounds
376	12	13	0	1	1	7	203.174	2e-06	Neutral nitrogen compounds
377	13	15	0	1	1	7	217.19	3e-06	Neutral nitrogen compounds
378	14	17	0	1	0	7	199.146	2.4e-05	Neutral nitrogen compounds
379	14	17	1	1	0	7	215.146	5e-06	Neutral nitrogen compounds
380	14	17	0	1	1	7	231.206	8e-06	Neutral nitrogen compounds
381	15	19	0	1	0	7	213.162	7.9e-05	Neutral nitrogen compounds
382	15	19	1	1	0	7	229.162	6e-06	Neutral nitrogen compounds
383	15	19	0	1	1	7	245.222	1.7e-05	Neutral nitrogen compounds
384	16	21	0	1	0	7	227.178	0.000111	Neutral nitrogen compounds
385	16	21	1	1	0	7	243.178	1.1e-05	Neutral nitrogen compounds
386	16	21	0	1	1	7	259.238	3.8e-05	Neutral nitrogen compounds
387	16	22	0	2	0	7	242.196	5e-06	Neutral nitrogen compounds
388	17	23	0	1	0	7	241.194	0.000433	Neutral nitrogen compounds
389	17	23	1	1	0	7	257.194	1.7e-05	Neutral nitrogen compounds
390	17	23	0	1	1	7	273.254	5e-05	Neutral nitrogen compounds
391	17	24	0	2	0	7	256.212	4e-06	Neutral nitrogen compounds
392	18	25	0	1	0	7	255.21	0.000937	Neutral nitrogen compounds
393	18	25	1	1	0	7	271.21	2.8e-05	Neutral nitrogen compounds
394	18	25	0	1	1	7	287.27	9.2e-05	Neutral nitrogen compounds
395	18	26	0	2	0	7	270.228	5e-06	Neutral nitrogen compounds
396	19	27	0	1	0	7	269.226	0.00237	Neutral nitrogen compounds
397	19	27	1	1	0	7	285.226	4.2e-05	Neutral nitrogen compounds
398	19	27	0	1	1	7	301.286	9.5e-05	Neutral nitrogen compounds
399	19	28	0	2	0	7	284.244	1e-05	Neutral nitrogen compounds
400	20	29	0	1	0	7	283.242	0.007121	Neutral nitrogen compounds
401	20	29	1	1	0	7	299.242	5.9e-05	Neutral nitrogen compounds
402	20	29	0	1	1	7	315.302	8.5e-05	Neutral nitrogen compounds
403	20	30	0	2	0	7	298.26	1e-05	Neutral nitrogen compounds
404	21	31	0	1	0	7	297.258	0.008992	Neutral nitrogen compounds
405	21	31	1	1	0	7	313.258	6.3e-05	Neutral nitrogen compounds
406	21	31	0	1	1	7	329.318	5.3e-05	Neutral nitrogen compounds
407	21	32	0	2	0	7	312.276	9e-06	Neutral nitrogen compounds
408	22	33	0	1	0	7	311.274	0.014452	Neutral nitrogen compounds
409	22	33	1	1	0	7	327.274	7.4e-05	Neutral nitrogen compounds
410	22	33	0	1	1	7	343.334	4.4e-05	Neutral nitrogen compounds
411	22	34	0	2	0	7	326.292	9e-06	Neutral nitrogen compounds
412	23	35	0	1	0	7	325.29	0.01651	Neutral nitrogen compounds
413	23	35	1	1	0	7	341.29	6.1e-05	Neutral nitrogen compounds
414	23	35	0	1	1	7	357.35	2.8e-05	Neutral nitrogen compounds
415	23	36	0	2	0	7	340.308	7e-06	Neutral nitrogen compounds
416	24	37	0	1	0	7	339.306	0.01104	Neutral nitrogen compounds
417	24	37	1	1	0	7	355.306	5.7e-05	Neutral nitrogen compounds
418	24	37	0	1	1	7	371.366	2.8e-05	Neutral nitrogen compounds
419	24	38	0	2	0	7	354.324	8e-06	Neutral nitrogen compounds
420	25	39	0	1	0	7	353.322	0.006344	Neutral nitrogen compounds
421	25	39	1	1	0	7	369.322	4.7e-05	Neutral nitrogen compounds
422	25	39	0	1	1	7	385.382	1.9e-05	Neutral nitrogen compounds
423	25	40	0	2	0	7	368.34	6e-06	Neutral nitrogen compounds
424	26	41	0	1	0	7	367.338	0.006237	Neutral nitrogen compounds
425	26	41	1	1	0	7	383.338	5.9e-05	Neutral nitrogen compounds
426	26	41	0	1	1	7	399.398	2.8e-05	Neutral nitrogen compounds
427	27	43	0	1	0	7	381.354	0.004036	Neutral nitrogen compounds
428	27	43	1	1	0	7	397.354	5.2e-05	Neutral nitrogen compounds
429	27	43	0	1	1	7	413.414	1.6e-05	Neutral nitrogen compounds
430	28	45	0	1	0	7	395.37	0.003031	Neutral nitrogen compounds
431	28	45	1	1	0	7	411.37	8e-06	Neutral nitrogen compounds
432	28	45	0	1	1	7	427.43	1.3e-05	Neutral nitrogen compounds
433	29	47	0	1	0	7	409.386	0.000733	Neutral nitrogen compounds
434	29	47	1	1	0	7	425.386	2e-05	Neutral nitrogen compounds
435	29	47	0	1	1	7	441.446	9e-06	Neutral nitrogen compounds
436	30	49	0	1	0	7	423.402	0.001261	Neutral nitrogen compounds
437	30	49	1	1	0	7	439.402	6.4e-05	Neutral nitrogen compounds
438	30	49	0	1	1	7	455.462	1e-05	Neutral nitrogen compounds
439	31	51	0	1	0	7	437.418	0.001003	Neutral nitrogen compounds
440	31	51	1	1	0	7	453.418	4.2e-05	Neutral nitrogen compounds
441	31	51	0	1	1	7	469.478	1.5e-05	Neutral nitrogen compounds
442	32	53	0	1	0	7	451.434	0.000712	Neutral nitrogen compounds
443	32	53	1	1	0	7	467.434	3.1e-05	Neutral nitrogen compounds
444	33	55	0	1	0	7	465.45	0.000535	Neutral nitrogen compounds
445	33	55	1	1	0	7	481.45	3.4e-05	Neutral nitrogen compounds
446	34	57	0	1	0	7	479.466	0.000716	Neutral nitrogen compounds
447	34	57	0	1	1	7	511.526	2.6e-05	Neutral nitrogen compounds
448	35	59	0	1	0	7	493.482	0.000257	Neutral nitrogen compounds
449	36	61	0	1	0	7	507.498	0.000235	Neutral nitrogen compounds
450	37	63	0	1	0	7	521.514	0.000111	Neutral nitrogen compounds
451	38	65	0	1	0	7	535.53	7.9e-05	Neutral nitrogen compounds
452	39	67	0	1	0	7	549.546	3.4e-05	Neutral nitrogen compounds
453	12	11	0	1	0	8	169.098	2e-06	Neutral nitrogen compounds
454	13	13	0	1	0	8	183.114	7e-06	Neutral nitrogen compounds
455	14	15	0	1	0	8	197.13	2.1e-05	Neutral nitrogen compounds
456	14	15	1	1	0	8	213.13	5e-06	Neutral nitrogen compounds
457	15	17	0	1	0	8	211.146	8e-05	Neutral nitrogen compounds
458	15	17	1	1	0	8	227.146	1.1e-05	Neutral nitrogen compounds
459	15	17	0	1	1	8	243.206	4e-06	Neutral nitrogen compounds
460	15	18	0	2	0	8	226.164	3e-06	Neutral nitrogen compounds
461	16	19	0	1	0	8	225.162	0.000329	Neutral nitrogen compounds
462	16	19	1	1	0	8	241.162	5.6e-05	Neutral nitrogen compounds
463	16	19	0	1	1	8	257.222	9e-06	Neutral nitrogen compounds
464	16	20	0	2	0	8	240.18	3e-06	Neutral nitrogen compounds
465	17	21	0	1	0	8	239.178	0.000946	Neutral nitrogen compounds
466	17	21	1	1	0	8	255.178	3.1e-05	Neutral nitrogen compounds
467	17	21	0	1	1	8	271.238	1.7e-05	Neutral nitrogen compounds
468	17	22	0	2	0	8	254.196	5e-06	Neutral nitrogen compounds
469	18	23	0	1	0	8	253.194	0.001531	Neutral nitrogen compounds
470	18	23	1	1	0	8	269.194	3.6e-05	Neutral nitrogen compounds
471	18	23	0	1	1	8	285.254	4.2e-05	Neutral nitrogen compounds
472	18	24	0	2	0	8	268.212	9e-06	Neutral nitrogen compounds
473	19	25	0	1	0	8	267.21	0.001745	Neutral nitrogen compounds
474	19	25	1	1	0	8	283.21	5.7e-05	Neutral nitrogen compounds
475	19	25	0	1	1	8	299.27	4.1e-05	Neutral nitrogen compounds
476	19	26	0	2	0	8	282.228	1.5e-05	Neutral nitrogen compounds
477	20	27	0	1	0	8	281.226	0.00388	Neutral nitrogen compounds
478	20	27	1	1	0	8	297.226	5.2e-05	Neutral nitrogen compounds
479	20	27	0	1	1	8	313.286	3.9e-05	Neutral nitrogen compounds
480	20	28	0	2	0	8	296.244	1.2e-05	Neutral nitrogen compounds
481	21	29	0	1	0	8	295.242	0.004687	Neutral nitrogen compounds
482	21	29	1	1	0	8	311.242	5.2e-05	Neutral nitrogen compounds
483	21	29	0	1	1	8	327.302	3.4e-05	Neutral nitrogen compounds
484	21	30	0	2	0	8	310.26	1.1e-05	Neutral nitrogen compounds
485	22	31	0	1	0	8	309.258	0.008378	Neutral nitrogen compounds
486	22	31	1	1	0	8	325.258	7e-05	Neutral nitrogen compounds
487	22	31	0	1	1	8	341.318	2.8e-05	Neutral nitrogen compounds
488	22	32	0	2	0	8	324.276	1e-05	Neutral nitrogen compounds
489	23	33	0	1	0	8	323.274	0.005349	Neutral nitrogen compounds
490	23	33	1	1	0	8	339.274	3.8e-05	Neutral nitrogen compounds
491	23	33	0	1	1	8	355.334	2.5e-05	Neutral nitrogen compounds
492	23	34	0	2	0	8	338.292	9e-06	Neutral nitrogen compounds
493	24	35	0	1	0	8	337.29	0.005758	Neutral nitrogen compounds
494	24	35	1	1	0	8	353.29	4.6e-05	Neutral nitrogen compounds
495	24	35	0	1	1	8	369.35	2e-05	Neutral nitrogen compounds
496	24	36	0	2	0	8	352.308	1.1e-05	Neutral nitrogen compounds
497	25	37	0	1	0	8	351.306	0.005439	Neutral nitrogen compounds
498	25	37	1	1	0	8	367.306	4.7e-05	Neutral nitrogen compounds
499	25	37	0	1	1	8	383.366	2.1e-05	Neutral nitrogen compounds
500	25	38	0	2	0	8	366.324	6e-06	Neutral nitrogen compounds
501	26	39	0	1	0	8	365.322	0.003299	Neutral nitrogen compounds
502	26	39	1	1	0	8	381.322	4.1e-05	Neutral nitrogen compounds
503	26	39	0	1	1	8	397.382	1.6e-05	Neutral nitrogen compounds
504	26	40	0	2	0	8	380.34	6e-06	Neutral nitrogen compounds
505	27	41	0	1	0	8	379.338	0.002218	Neutral nitrogen compounds
506	27	41	1	1	0	8	395.338	4.3e-05	Neutral nitrogen compounds
507	27	41	0	1	1	8	411.398	1.4e-05	Neutral nitrogen compounds
508	27	42	0	2	0	8	394.356	1e-05	Neutral nitrogen compounds
509	28	43	0	1	0	8	393.354	0.002262	Neutral nitrogen compounds
510	28	43	1	1	0	8	409.354	9e-06	Neutral nitrogen compounds
511	28	43	0	1	1	8	425.414	1.3e-05	Neutral nitrogen compounds
512	29	45	0	1	0	8	407.37	0.000737	Neutral nitrogen compounds
513	29	45	1	1	0	8	423.37	2.4e-05	Neutral nitrogen compounds
514	29	45	0	1	1	8	439.43	1e-05	Neutral nitrogen compounds
515	29	46	0	2	0	8	422.388	7e-06	Neutral nitrogen compounds
516	30	47	0	1	0	8	421.386	0.001122	Neutral nitrogen compounds
517	30	47	1	1	0	8	437.386	4.7e-05	Neutral nitrogen compounds
518	30	47	0	1	1	8	453.446	1.2e-05	Neutral nitrogen compounds
519	30	48	0	2	0	8	436.404	7e-06	Neutral nitrogen compounds
520	31	49	0	1	0	8	435.402	0.000818	Neutral nitrogen compounds
521	31	49	1	1	0	8	451.402	3.7e-05	Neutral nitrogen compounds
522	31	49	0	1	1	8	467.462	9e-06	Neutral nitrogen compounds
523	32	51	0	1	0	8	449.418	0.000598	Neutral nitrogen compounds
524	32	51	1	1	0	8	465.418	3.2e-05	Neutral nitrogen compounds
525	33	53	0	1	0	8	463.434	0.000465	Neutral nitrogen compounds
526	33	53	1	1	0	8	479.434	1.8e-05	Neutral nitrogen compounds
527	33	53	0	1	1	8	495.494	9e-06	Neutral nitrogen compounds
528	34	55	0	1	0	8	477.45	0.000414	Neutral nitrogen compounds
529	34	55	1	1	0	8	493.45	2.7e-05	Neutral nitrogen compounds
530	35	57	0	1	0	8	491.466	0.000238	Neutral nitrogen compounds
531	35	57	0	1	1	8	523.526	1.3e-05	Neutral nitrogen compounds
532	36	59	0	1	0	8	505.482	0.000122	Neutral nitrogen compounds
533	36	59	1	1	0	8	521.482	1.8e-05	Neutral nitrogen compounds
534	37	61	0	1	0	8	519.498	0.000144	Neutral nitrogen compounds
535	37	61	1	1	0	8	535.498	1.6e-05	Neutral nitrogen compounds
536	38	63	0	1	0	8	533.514	4.8e-05	Neutral nitrogen compounds
537	39	65	0	1	0	8	547.53	4.8e-05	Neutral nitrogen compounds
538	40	67	0	1	0	8	561.546	2.3e-05	Neutral nitrogen compounds
539	41	69	0	1	0	8	575.562	8e-06	Neutral nitrogen compounds
540	13	11	0	1	0	9	181.098	4e-06	Neutral nitrogen compounds
541	13	11	0	1	1	9	213.158	1.3e-05	Neutral nitrogen compounds
542	14	13	0	1	0	9	195.114	6e-06	Neutral nitrogen compounds
543	14	13	1	1	0	9	211.114	4e-06	Neutral nitrogen compounds
544	14	13	0	1	1	9	227.174	3.4e-05	Neutral nitrogen compounds
545	15	15	0	1	0	9	209.13	3e-05	Neutral nitrogen compounds
546	15	15	1	1	0	9	225.13	1.3e-05	Neutral nitrogen compounds
547	15	15	0	1	1	9	241.19	7.2e-05	Neutral nitrogen compounds
548	15	16	0	2	0	9	224.148	5e-06	Neutral nitrogen compounds
549	16	17	0	1	0	9	223.146	9.3e-05	Neutral nitrogen compounds
550	16	17	1	1	0	9	239.146	2e-05	Neutral nitrogen compounds
551	16	17	0	1	1	9	255.206	4.7e-05	Neutral nitrogen compounds
552	16	18	0	2	0	9	238.164	5e-06	Neutral nitrogen compounds
553	17	19	0	1	0	9	237.162	0.000294	Neutral nitrogen compounds
554	17	19	1	1	0	9	253.162	3.2e-05	Neutral nitrogen compounds
555	17	19	0	1	1	9	269.222	5e-05	Neutral nitrogen compounds
556	17	20	0	2	0	9	252.18	6e-06	Neutral nitrogen compounds
557	18	21	0	1	0	9	251.178	0.000796	Neutral nitrogen compounds
558	18	21	1	1	0	9	267.178	5.5e-05	Neutral nitrogen compounds
559	18	21	0	1	1	9	283.238	3.8e-05	Neutral nitrogen compounds
560	18	22	0	2	0	9	266.196	8e-06	Neutral nitrogen compounds
561	19	23	0	1	0	9	265.194	0.003456	Neutral nitrogen compounds
562	19	23	1	1	0	9	281.194	8.2e-05	Neutral nitrogen compounds
563	19	23	0	1	1	9	297.254	2.8e-05	Neutral nitrogen compounds
564	19	24	0	2	0	9	280.212	1.8e-05	Neutral nitrogen compounds
565	20	25	0	1	0	9	279.21	0.00345	Neutral nitrogen compounds
566	20	25	1	1	0	9	295.21	9.6e-05	Neutral nitrogen compounds
567	20	25	0	1	1	9	311.27	2.2e-05	Neutral nitrogen compounds
568	20	26	0	2	0	9	294.228	1.5e-05	Neutral nitrogen compounds
569	21	27	0	1	0	9	293.226	0.003871	Neutral nitrogen compounds
570	21	27	1	1	0	9	309.226	8.3e-05	Neutral nitrogen compounds
571	21	27	0	1	1	9	325.286	2.5e-05	Neutral nitrogen compounds
572	21	28	0	2	0	9	308.244	1.4e-05	Neutral nitrogen compounds
573	22	29	0	1	0	9	307.242	0.004575	Neutral nitrogen compounds
574	22	29	1	1	0	9	323.242	6e-05	Neutral nitrogen compounds
575	22	29	0	1	1	9	339.302	2.2e-05	Neutral nitrogen compounds
576	22	30	0	2	0	9	322.26	1.5e-05	Neutral nitrogen compounds
577	23	31	0	1	0	9	321.258	0.003481	Neutral nitrogen compounds
578	23	31	1	1	0	9	337.258	5.1e-05	Neutral nitrogen compounds
579	23	31	0	1	1	9	353.318	2.6e-05	Neutral nitrogen compounds
580	23	32	0	2	0	9	336.276	9e-06	Neutral nitrogen compounds
581	24	33	0	1	0	9	335.274	0.003518	Neutral nitrogen compounds
582	24	33	1	1	0	9	351.274	5.2e-05	Neutral nitrogen compounds
583	24	33	0	1	1	9	367.334	2.6e-05	Neutral nitrogen compounds
584	24	34	0	2	0	9	350.292	1.4e-05	Neutral nitrogen compounds
585	25	35	0	1	0	9	349.29	0.002291	Neutral nitrogen compounds
586	25	35	1	1	0	9	365.29	4.3e-05	Neutral nitrogen compounds
587	25	35	0	1	1	9	381.35	2.2e-05	Neutral nitrogen compounds
588	25	36	0	2	0	9	364.308	9e-06	Neutral nitrogen compounds
589	26	37	0	1	0	9	363.306	0.001767	Neutral nitrogen compounds
590	26	37	1	1	0	9	379.306	4.5e-05	Neutral nitrogen compounds
591	26	37	0	1	1	9	395.366	2.3e-05	Neutral nitrogen compounds
592	26	38	0	2	0	9	378.324	1e-05	Neutral nitrogen compounds
593	27	39	0	1	0	9	377.322	0.00158	Neutral nitrogen compounds
594	27	39	1	1	0	9	393.322	3.7e-05	Neutral nitrogen compounds
595	27	39	0	1	1	9	409.382	1.3e-05	Neutral nitrogen compounds
596	27	40	0	2	0	9	392.34	1e-05	Neutral nitrogen compounds
597	28	41	0	1	0	9	391.338	0.001365	Neutral nitrogen compounds
598	28	41	1	1	0	9	407.338	8e-06	Neutral nitrogen compounds
599	28	41	0	1	1	9	423.398	1.3e-05	Neutral nitrogen compounds
600	28	42	0	2	0	9	406.356	1e-05	Neutral nitrogen compounds
601	29	43	0	1	0	9	405.354	0.000971	Neutral nitrogen compounds
602	29	43	1	1	0	9	421.354	2.2e-05	Neutral nitrogen compounds
603	29	43	0	1	1	9	437.414	9e-06	Neutral nitrogen compounds
604	29	44	0	2	0	9	420.372	8e-06	Neutral nitrogen compounds
605	30	45	0	1	0	9	419.37	0.000885	Neutral nitrogen compounds
606	30	45	1	1	0	9	435.37	3.6e-05	Neutral nitrogen compounds
607	30	45	0	1	1	9	451.43	1.1e-05	Neutral nitrogen compounds
608	30	46	0	2	0	9	434.388	8e-06	Neutral nitrogen compounds
609	31	47	0	1	0	9	433.386	0.000634	Neutral nitrogen compounds
610	31	47	1	1	0	9	449.386	2.6e-05	Neutral nitrogen compounds
611	31	47	0	1	1	9	465.446	1.1e-05	Neutral nitrogen compounds
612	32	49	0	1	0	9	447.402	0.000547	Neutral nitrogen compounds
613	32	49	1	1	0	9	463.402	3.6e-05	Neutral nitrogen compounds
614	32	49	0	1	1	9	479.462	9e-06	Neutral nitrogen compounds
615	33	51	0	1	0	9	461.418	0.000406	Neutral nitrogen compounds
616	33	51	1	1	0	9	477.418	3.2e-05	Neutral nitrogen compounds
617	34	53	0	1	0	9	475.434	0.000279	Neutral nitrogen compounds
618	34	53	1	1	0	9	491.434	1.8e-05	Neutral nitrogen compounds
619	35	55	0	1	0	9	489.45	0.000195	Neutral nitrogen compounds
620	35	55	1	1	0	9	505.45	1e-05	Neutral nitrogen compounds
621	36	57	0	1	0	9	503.466	0.000113	Neutral nitrogen compounds
622	37	59	0	1	0	9	517.482	7.6e-05	Neutral nitrogen compounds
623	38	61	0	1	0	9	531.498	9.5e-05	Neutral nitrogen compounds
624	39	63	0	1	0	9	545.514	3.1e-05	Neutral nitrogen compounds
625	40	65	0	1	0	9	559.53	1.7e-05	Neutral nitrogen compounds
626	41	67	0	1	0	9	573.546	1.9e-05	Neutral nitrogen compounds
627	42	69	0	1	0	9	587.562	9e-06	Neutral nitrogen compounds
628	14	11	0	1	0	10	193.098	5e-06	Neutral nitrogen compounds
629	15	13	0	1	0	10	207.114	0.000221	Neutral nitrogen compounds
630	15	13	1	1	0	10	223.114	4e-06	Neutral nitrogen compounds
631	15	13	0	1	1	10	239.174	3e-06	Neutral nitrogen compounds
632	16	15	0	1	0	10	221.13	0.00115	Neutral nitrogen compounds
633	16	15	1	1	0	10	237.13	7e-06	Neutral nitrogen compounds
634	16	15	0	1	1	10	253.19	6e-06	Neutral nitrogen compounds
635	16	16	0	2	0	10	236.148	4e-06	Neutral nitrogen compounds
636	17	17	0	1	0	10	235.146	0.000948	Neutral nitrogen compounds
637	17	17	1	1	0	10	251.146	8e-06	Neutral nitrogen compounds
638	17	17	0	1	1	10	267.206	1.4e-05	Neutral nitrogen compounds
639	17	18	0	2	0	10	250.164	6e-06	Neutral nitrogen compounds
640	18	19	0	1	0	10	249.162	0.000791	Neutral nitrogen compounds
641	18	19	1	1	0	10	265.162	1.6e-05	Neutral nitrogen compounds
642	18	19	0	1	1	10	281.222	2e-05	Neutral nitrogen compounds
643	18	20	0	2	0	10	264.18	8e-06	Neutral nitrogen compounds
644	19	21	0	1	0	10	263.178	0.000751	Neutral nitrogen compounds
645	19	21	1	1	0	10	279.178	2.5e-05	Neutral nitrogen compounds
646	19	21	0	1	1	10	295.238	2.4e-05	Neutral nitrogen compounds
647	19	22	0	2	0	10	278.196	1e-05	Neutral nitrogen compounds
648	20	23	0	1	0	10	277.194	0.001445	Neutral nitrogen compounds
649	20	23	1	1	0	10	293.194	3.1e-05	Neutral nitrogen compounds
650	20	23	0	1	1	10	309.254	2.1e-05	Neutral nitrogen compounds
651	20	24	0	2	0	10	292.212	6e-06	Neutral nitrogen compounds
652	21	25	0	1	0	10	291.21	0.001287	Neutral nitrogen compounds
653	21	25	1	1	0	10	307.21	4.8e-05	Neutral nitrogen compounds
654	21	25	0	1	1	10	323.27	2e-05	Neutral nitrogen compounds
655	21	26	0	2	0	10	306.228	7e-06	Neutral nitrogen compounds
656	22	27	0	1	0	10	305.226	0.001728	Neutral nitrogen compounds
657	22	27	1	1	0	10	321.226	4.3e-05	Neutral nitrogen compounds
658	22	27	0	1	1	10	337.286	2.5e-05	Neutral nitrogen compounds
659	22	28	0	2	0	10	320.244	8e-06	Neutral nitrogen compounds
660	23	29	0	1	0	10	319.242	0.002695	Neutral nitrogen compounds
661	23	29	1	1	0	10	335.242	4.4e-05	Neutral nitrogen compounds
662	23	29	0	1	1	10	351.302	2.4e-05	Neutral nitrogen compounds
663	23	30	0	2	0	10	334.26	1e-05	Neutral nitrogen compounds
664	24	31	0	1	0	10	333.258	0.001529	Neutral nitrogen compounds
665	24	31	1	1	0	10	349.258	4.8e-05	Neutral nitrogen compounds
666	24	31	0	1	1	10	365.318	2.3e-05	Neutral nitrogen compounds
667	24	32	0	2	0	10	348.276	9e-06	Neutral nitrogen compounds
668	25	33	0	1	0	10	347.274	0.002024	Neutral nitrogen compounds
669	25	33	1	1	0	10	363.274	4e-05	Neutral nitrogen compounds
670	25	33	0	1	1	10	379.334	2.2e-05	Neutral nitrogen compounds
671	25	34	0	2	0	10	362.292	1.1e-05	Neutral nitrogen compounds
672	26	35	0	1	0	10	361.29	0.002023	Neutral nitrogen compounds
673	26	35	1	1	0	10	377.29	3.3e-05	Neutral nitrogen compounds
674	26	35	0	1	1	10	393.35	1.5e-05	Neutral nitrogen compounds
675	26	36	0	2	0	10	376.308	9e-06	Neutral nitrogen compounds
676	27	37	0	1	0	10	375.306	0.001588	Neutral nitrogen compounds
677	27	37	1	1	0	10	391.306	3.4e-05	Neutral nitrogen compounds
678	27	37	0	1	1	10	407.366	1.1e-05	Neutral nitrogen compounds
679	27	38	0	2	0	10	390.324	1e-05	Neutral nitrogen compounds
680	28	39	0	1	0	10	389.322	0.000945	Neutral nitrogen compounds
681	28	39	1	1	0	10	405.322	2.7e-05	Neutral nitrogen compounds
682	28	39	0	1	1	10	421.382	9e-06	Neutral nitrogen compounds
683	28	40	0	2	0	10	404.34	7e-06	Neutral nitrogen compounds
684	29	41	0	1	0	10	403.338	0.000786	Neutral nitrogen compounds
685	29	41	1	1	0	10	419.338	1.9e-05	Neutral nitrogen compounds
686	29	41	0	1	1	10	435.398	9e-06	Neutral nitrogen compounds
687	30	43	0	1	0	10	417.354	0.000634	Neutral nitrogen compounds
688	30	43	1	1	0	10	433.354	2.2e-05	Neutral nitrogen compounds
689	30	43	0	1	1	10	449.414	1.2e-05	Neutral nitrogen compounds
690	30	44	0	2	0	10	432.372	8e-06	Neutral nitrogen compounds
691	31	45	0	1	0	10	431.37	0.000522	Neutral nitrogen compounds
692	31	45	1	1	0	10	447.37	2e-05	Neutral nitrogen compounds
693	31	45	0	1	1	10	463.43	1e-05	Neutral nitrogen compounds
694	32	47	0	1	0	10	445.386	0.000621	Neutral nitrogen compounds
695	32	47	1	1	0	10	461.386	1.8e-05	Neutral nitrogen compounds
696	32	47	0	1	1	10	477.446	9e-06	Neutral nitrogen compounds
697	33	49	0	1	0	10	459.402	0.000472	Neutral nitrogen compounds
698	33	49	1	1	0	10	475.402	1.7e-05	Neutral nitrogen compounds
699	34	51	0	1	0	10	473.418	0.000209	Neutral nitrogen compounds
700	34	51	1	1	0	10	489.418	1.5e-05	Neutral nitrogen compounds
701	35	53	0	1	0	10	487.434	0.000287	Neutral nitrogen compounds
702	36	55	0	1	0	10	501.45	0.00018	Neutral nitrogen compounds
703	37	57	0	1	0	10	515.466	6.1e-05	Neutral nitrogen compounds
704	38	59	0	1	0	10	529.482	2.8e-05	Neutral nitrogen compounds
705	39	61	0	1	0	10	543.498	2.8e-05	Neutral nitrogen compounds
706	40	63	0	1	0	10	557.514	2.1e-05	Neutral nitrogen compounds
707	41	65	0	1	0	10	571.53	1.2e-05	Neutral nitrogen compounds
708	42	67	0	1	0	10	585.546	8e-06	Neutral nitrogen compounds
709	15	11	0	1	0	11	205.098	1.3e-05	Neutral nitrogen compounds
710	16	13	0	1	0	11	219.114	3.3e-05	Neutral nitrogen compounds
711	17	15	0	1	0	11	233.13	0.000155	Neutral nitrogen compounds
712	17	15	1	1	0	11	249.13	3e-06	Neutral nitrogen compounds
713	18	17	0	1	0	11	247.146	0.000383	Neutral nitrogen compounds
714	18	17	1	1	0	11	263.146	6e-06	Neutral nitrogen compounds
715	18	17	0	1	1	11	279.206	4e-06	Neutral nitrogen compounds
716	18	18	0	2	0	11	262.164	4e-06	Neutral nitrogen compounds
717	19	19	0	1	0	11	261.162	0.000539	Neutral nitrogen compounds
718	19	19	1	1	0	11	277.162	9e-06	Neutral nitrogen compounds
719	19	19	0	1	1	11	293.222	4e-06	Neutral nitrogen compounds
720	19	20	0	2	0	11	276.18	6e-06	Neutral nitrogen compounds
721	20	21	0	1	0	11	275.178	0.000637	Neutral nitrogen compounds
722	20	21	1	1	0	11	291.178	1.5e-05	Neutral nitrogen compounds
723	20	21	0	1	1	11	307.238	1.2e-05	Neutral nitrogen compounds
724	20	22	0	2	0	11	290.196	7e-06	Neutral nitrogen compounds
725	21	23	0	1	0	11	289.194	0.000404	Neutral nitrogen compounds
726	21	23	1	1	0	11	305.194	1e-05	Neutral nitrogen compounds
727	21	23	0	1	1	11	321.254	1e-05	Neutral nitrogen compounds
728	21	24	0	2	0	11	304.212	7e-06	Neutral nitrogen compounds
729	22	25	0	1	0	11	303.21	0.000431	Neutral nitrogen compounds
730	22	25	1	1	0	11	319.21	1.8e-05	Neutral nitrogen compounds
731	22	25	0	1	1	11	335.27	1.9e-05	Neutral nitrogen compounds
732	22	26	0	2	0	11	318.228	6e-06	Neutral nitrogen compounds
733	23	27	0	1	0	11	317.226	0.000662	Neutral nitrogen compounds
734	23	27	1	1	0	11	333.226	2e-05	Neutral nitrogen compounds
735	23	27	0	1	1	11	349.286	1.7e-05	Neutral nitrogen compounds
736	23	28	0	2	0	11	332.244	9e-06	Neutral nitrogen compounds
737	24	29	0	1	0	11	331.242	0.000917	Neutral nitrogen compounds
738	24	29	1	1	0	11	347.242	4.5e-05	Neutral nitrogen compounds
739	24	29	0	1	1	11	363.302	1.4e-05	Neutral nitrogen compounds
740	24	30	0	2	0	11	346.26	1.2e-05	Neutral nitrogen compounds
741	25	31	0	1	0	11	345.258	0.000822	Neutral nitrogen compounds
742	25	31	1	1	0	11	361.258	3.4e-05	Neutral nitrogen compounds
743	25	31	0	1	1	11	377.318	1.2e-05	Neutral nitrogen compounds
744	25	32	0	2	0	11	360.276	8e-06	Neutral nitrogen compounds
745	26	33	0	1	0	11	359.274	0.000796	Neutral nitrogen compounds
746	26	33	1	1	0	11	375.274	3.6e-05	Neutral nitrogen compounds
747	26	33	0	1	1	11	391.334	1.2e-05	Neutral nitrogen compounds
748	26	34	0	2	0	11	374.292	9e-06	Neutral nitrogen compounds
749	27	35	0	1	0	11	373.29	0.000925	Neutral nitrogen compounds
750	27	35	1	1	0	11	389.29	3.3e-05	Neutral nitrogen compounds
751	27	35	0	1	1	11	405.35	9e-06	Neutral nitrogen compounds
752	27	36	0	2	0	11	388.308	1.1e-05	Neutral nitrogen compounds
753	28	37	0	1	0	11	387.306	0.000592	Neutral nitrogen compounds
754	28	37	1	1	0	11	403.306	2.4e-05	Neutral nitrogen compounds
755	28	37	0	1	1	11	419.366	7e-06	Neutral nitrogen compounds
756	28	38	0	2	0	11	402.324	7e-06	Neutral nitrogen compounds
757	29	39	0	1	0	11	401.322	0.000542	Neutral nitrogen compounds
758	29	39	1	1	0	11	417.322	2.1e-05	Neutral nitrogen compounds
759	29	39	0	1	1	11	433.382	7e-06	Neutral nitrogen compounds
760	29	40	0	2	0	11	416.34	7e-06	Neutral nitrogen compounds
761	30	41	0	1	0	11	415.338	0.000436	Neutral nitrogen compounds
762	30	41	1	1	0	11	431.338	2.5e-05	Neutral nitrogen compounds
763	30	42	0	2	0	11	430.356	7e-06	Neutral nitrogen compounds
764	31	43	0	1	0	11	429.354	0.00034	Neutral nitrogen compounds
765	31	43	1	1	0	11	445.354	3.6e-05	Neutral nitrogen compounds
766	32	45	0	1	0	11	443.37	0.00042	Neutral nitrogen compounds
767	32	45	1	1	0	11	459.37	2.8e-05	Neutral nitrogen compounds
768	33	47	0	1	0	11	457.386	0.000258	Neutral nitrogen compounds
769	33	47	1	1	0	11	473.386	1.5e-05	Neutral nitrogen compounds
770	34	49	0	1	0	11	471.402	0.000182	Neutral nitrogen compounds
771	34	49	1	1	0	11	487.402	2.3e-05	Neutral nitrogen compounds
772	35	51	0	1	0	11	485.418	0.000108	Neutral nitrogen compounds
773	35	51	1	1	0	11	501.418	1.3e-05	Neutral nitrogen compounds
774	36	53	0	1	0	11	499.434	7.2e-05	Neutral nitrogen compounds
775	37	55	0	1	0	11	513.45	5.3e-05	Neutral nitrogen compounds
776	38	57	0	1	0	11	527.466	2.7e-05	Neutral nitrogen compounds
777	39	59	0	1	0	11	541.482	2.6e-05	Neutral nitrogen compounds
778	40	61	0	1	0	11	555.498	1.6e-05	Neutral nitrogen compounds
779	41	63	0	1	0	11	569.514	1.1e-05	Neutral nitrogen compounds
780	16	11	0	1	0	12	217.098	8e-06	Neutral nitrogen compounds
781	17	13	0	1	0	12	231.114	4e-05	Neutral nitrogen compounds
782	17	13	1	1	0	12	247.114	4e-06	Neutral nitrogen compounds
783	17	13	0	1	1	12	263.174	4e-06	Neutral nitrogen compounds
784	18	15	0	1	0	12	245.13	8.2e-05	Neutral nitrogen compounds
785	18	15	1	1	0	12	261.13	7e-06	Neutral nitrogen compounds
786	18	15	0	1	1	12	277.19	7e-06	Neutral nitrogen compounds
787	19	17	0	1	0	12	259.146	0.000167	Neutral nitrogen compounds
788	19	17	1	1	0	12	275.146	1.1e-05	Neutral nitrogen compounds
789	19	17	0	1	1	12	291.206	9e-06	Neutral nitrogen compounds
790	20	19	0	1	0	12	273.162	0.000181	Neutral nitrogen compounds
791	20	19	1	1	0	12	289.162	1.1e-05	Neutral nitrogen compounds
792	20	19	0	1	1	12	305.222	7e-06	Neutral nitrogen compounds
793	21	21	0	1	0	12	287.178	0.000268	Neutral nitrogen compounds
794	21	21	1	1	0	12	303.178	1.2e-05	Neutral nitrogen compounds
795	21	21	0	1	1	12	319.238	9e-06	Neutral nitrogen compounds
796	21	22	0	2	0	12	302.196	5e-06	Neutral nitrogen compounds
797	22	23	0	1	0	12	301.194	0.00032	Neutral nitrogen compounds
798	22	23	1	1	0	12	317.194	1.8e-05	Neutral nitrogen compounds
799	22	23	0	1	1	12	333.254	8e-06	Neutral nitrogen compounds
800	22	24	0	2	0	12	316.212	6e-06	Neutral nitrogen compounds
801	23	25	0	1	0	12	315.21	0.000378	Neutral nitrogen compounds
802	23	25	1	1	0	12	331.21	2.2e-05	Neutral nitrogen compounds
803	23	25	0	1	1	12	347.27	1.2e-05	Neutral nitrogen compounds
804	24	27	0	1	0	12	329.226	0.000387	Neutral nitrogen compounds
805	24	27	1	1	0	12	345.226	1.9e-05	Neutral nitrogen compounds
806	24	27	0	1	1	12	361.286	1.4e-05	Neutral nitrogen compounds
807	25	29	0	1	0	12	343.242	0.000443	Neutral nitrogen compounds
808	25	29	1	1	0	12	359.242	2.3e-05	Neutral nitrogen compounds
809	25	29	0	1	1	12	375.302	1.7e-05	Neutral nitrogen compounds
810	25	30	0	2	0	12	358.26	1.4e-05	Neutral nitrogen compounds
811	26	31	0	1	0	12	357.258	0.000528	Neutral nitrogen compounds
812	26	31	1	1	0	12	373.258	2.3e-05	Neutral nitrogen compounds
813	26	31	0	1	1	12	389.318	8e-06	Neutral nitrogen compounds
814	26	32	0	2	0	12	372.276	6e-06	Neutral nitrogen compounds
815	27	33	0	1	0	12	371.274	0.000442	Neutral nitrogen compounds
816	27	33	1	1	0	12	387.274	2.3e-05	Neutral nitrogen compounds
817	27	33	0	1	1	12	403.334	9e-06	Neutral nitrogen compounds
818	27	34	0	2	0	12	386.292	9e-06	Neutral nitrogen compounds
819	28	35	0	1	0	12	385.29	0.00043	Neutral nitrogen compounds
820	28	35	1	1	0	12	401.29	2.1e-05	Neutral nitrogen compounds
821	29	37	0	1	0	12	399.306	0.000362	Neutral nitrogen compounds
822	29	37	1	1	0	12	415.306	2.2e-05	Neutral nitrogen compounds
823	30	39	0	1	0	12	413.322	0.000272	Neutral nitrogen compounds
824	30	39	1	1	0	12	429.322	1.8e-05	Neutral nitrogen compounds
825	30	39	0	1	1	12	445.382	7e-06	Neutral nitrogen compounds
826	31	41	0	1	0	12	427.338	0.000211	Neutral nitrogen compounds
827	31	41	1	1	0	12	443.338	2.3e-05	Neutral nitrogen compounds
828	31	41	0	1	1	12	459.398	7e-06	Neutral nitrogen compounds
829	32	43	0	1	0	12	441.354	0.000183	Neutral nitrogen compounds
830	32	43	1	1	0	12	457.354	1.8e-05	Neutral nitrogen compounds
831	32	43	0	1	1	12	473.414	8e-06	Neutral nitrogen compounds
832	33	45	0	1	0	12	455.37	0.00012	Neutral nitrogen compounds
833	33	45	1	1	0	12	471.37	1.3e-05	Neutral nitrogen compounds
834	33	45	0	1	1	12	487.43	1.3e-05	Neutral nitrogen compounds
835	34	47	0	1	0	12	469.386	0.000138	Neutral nitrogen compounds
836	34	47	1	1	0	12	485.386	1e-05	Neutral nitrogen compounds
837	35	49	0	1	0	12	483.402	8.4e-05	Neutral nitrogen compounds
838	35	49	1	1	0	12	499.402	1.1e-05	Neutral nitrogen compounds
839	36	51	0	1	0	12	497.418	4.9e-05	Neutral nitrogen compounds
840	38	55	0	1	0	12	525.45	3.3e-05	Neutral nitrogen compounds
841	39	57	0	1	0	12	539.466	1e-05	Neutral nitrogen compounds
842	17	11	0	1	0	13	229.098	4e-06	Neutral nitrogen compounds
843	18	13	0	1	0	13	243.114	2.2e-05	Neutral nitrogen compounds
844	19	15	0	1	0	13	257.13	3.8e-05	Neutral nitrogen compounds
845	20	17	0	1	0	13	271.146	4.9e-05	Neutral nitrogen compounds
846	21	19	0	1	0	13	285.162	7.8e-05	Neutral nitrogen compounds
847	21	19	1	1	0	13	301.162	6e-06	Neutral nitrogen compounds
848	21	19	0	1	1	13	317.222	5e-06	Neutral nitrogen compounds
849	22	21	0	1	0	13	299.178	9.5e-05	Neutral nitrogen compounds
850	22	21	1	1	0	13	315.178	1e-05	Neutral nitrogen compounds
851	22	21	0	1	1	13	331.238	6e-06	Neutral nitrogen compounds
852	23	23	0	1	0	13	313.194	0.00014	Neutral nitrogen compounds
853	23	23	1	1	0	13	329.194	8e-06	Neutral nitrogen compounds
854	23	23	0	1	1	13	345.254	8e-06	Neutral nitrogen compounds
855	23	24	0	2	0	13	328.212	8e-06	Neutral nitrogen compounds
856	24	25	0	1	0	13	327.21	0.000195	Neutral nitrogen compounds
857	24	25	1	1	0	13	343.21	1.7e-05	Neutral nitrogen compounds
858	24	25	0	1	1	13	359.27	5e-06	Neutral nitrogen compounds
859	24	26	0	2	0	13	342.228	5e-06	Neutral nitrogen compounds
860	25	27	0	1	0	13	341.226	0.000241	Neutral nitrogen compounds
861	25	27	1	1	0	13	357.226	1.7e-05	Neutral nitrogen compounds
862	25	27	0	1	1	13	373.286	7e-06	Neutral nitrogen compounds
863	25	28	0	2	0	13	356.244	7e-06	Neutral nitrogen compounds
864	26	29	0	1	0	13	355.242	0.000286	Neutral nitrogen compounds
865	26	29	1	1	0	13	371.242	2.3e-05	Neutral nitrogen compounds
866	26	29	0	1	1	13	387.302	6e-06	Neutral nitrogen compounds
867	26	30	0	2	0	13	370.26	6e-06	Neutral nitrogen compounds
868	27	31	0	1	0	13	369.258	0.000266	Neutral nitrogen compounds
869	27	31	1	1	0	13	385.258	1.7e-05	Neutral nitrogen compounds
870	27	31	0	1	1	13	401.318	6e-06	Neutral nitrogen compounds
871	27	32	0	2	0	13	384.276	8e-06	Neutral nitrogen compounds
872	28	33	0	1	0	13	383.274	0.000293	Neutral nitrogen compounds
873	28	33	1	1	0	13	399.274	1.6e-05	Neutral nitrogen compounds
874	29	35	0	1	0	13	397.29	0.000258	Neutral nitrogen compounds
875	29	35	1	1	0	13	413.29	1.4e-05	Neutral nitrogen compounds
876	30	37	0	1	0	13	411.306	0.000179	Neutral nitrogen compounds
877	30	37	1	1	0	13	427.306	1.3e-05	Neutral nitrogen compounds
878	30	37	0	1	1	13	443.366	7e-06	Neutral nitrogen compounds
879	31	39	0	1	0	13	425.322	0.000128	Neutral nitrogen compounds
880	31	39	1	1	0	13	441.322	1.1e-05	Neutral nitrogen compounds
881	32	41	0	1	0	13	439.338	0.0001	Neutral nitrogen compounds
882	33	43	0	1	0	13	453.354	8.2e-05	Neutral nitrogen compounds
883	33	43	1	1	0	13	469.354	1.2e-05	Neutral nitrogen compounds
884	34	45	0	1	0	13	467.37	4.8e-05	Neutral nitrogen compounds
885	35	47	0	1	0	13	481.386	4.1e-05	Neutral nitrogen compounds
886	36	49	0	1	0	13	495.402	6.1e-05	Neutral nitrogen compounds
887	37	51	0	1	0	13	509.418	2.4e-05	Neutral nitrogen compounds
888	38	53	0	1	0	13	523.434	1.3e-05	Neutral nitrogen compounds
889	39	55	0	1	0	13	537.45	1.6e-05	Neutral nitrogen compounds
890	44	65	0	1	0	13	607.53	9e-06	Neutral nitrogen compounds
891	19	13	0	1	0	14	255.114	4e-06	Neutral nitrogen compounds
892	20	15	0	1	0	14	269.13	9e-06	Neutral nitrogen compounds
893	21	17	0	1	0	14	283.146	2e-05	Neutral nitrogen compounds
894	22	19	0	1	0	14	297.162	4.3e-05	Neutral nitrogen compounds
895	23	21	0	1	0	14	311.178	5.8e-05	Neutral nitrogen compounds
896	23	21	1	1	0	14	327.178	6e-06	Neutral nitrogen compounds
897	24	23	0	1	0	14	325.194	8.3e-05	Neutral nitrogen compounds
898	24	23	1	1	0	14	341.194	8e-06	Neutral nitrogen compounds
899	25	25	0	1	0	14	339.21	9.1e-05	Neutral nitrogen compounds
900	25	25	1	1	0	14	355.21	1.1e-05	Neutral nitrogen compounds
901	25	25	0	1	1	14	371.27	7e-06	Neutral nitrogen compounds
902	26	27	0	1	0	14	353.226	0.000127	Neutral nitrogen compounds
903	26	27	1	1	0	14	369.226	1e-05	Neutral nitrogen compounds
904	26	27	0	1	1	14	385.286	7e-06	Neutral nitrogen compounds
905	27	29	0	1	0	14	367.242	0.00014	Neutral nitrogen compounds
906	27	29	1	1	0	14	383.242	1.4e-05	Neutral nitrogen compounds
907	27	29	0	1	1	14	399.302	7e-06	Neutral nitrogen compounds
908	28	31	0	1	0	14	381.258	0.000117	Neutral nitrogen compounds
909	28	31	1	1	0	14	397.258	1.1e-05	Neutral nitrogen compounds
910	29	33	0	1	0	14	395.274	0.000134	Neutral nitrogen compounds
911	29	33	1	1	0	14	411.274	8e-06	Neutral nitrogen compounds
912	30	35	0	1	0	14	409.29	7.8e-05	Neutral nitrogen compounds
913	30	35	1	1	0	14	425.29	1.4e-05	Neutral nitrogen compounds
914	31	37	0	1	0	14	423.306	6.9e-05	Neutral nitrogen compounds
915	31	37	1	1	0	14	439.306	1.1e-05	Neutral nitrogen compounds
916	32	39	0	1	0	14	437.322	4.5e-05	Neutral nitrogen compounds
917	32	39	1	1	0	14	453.322	1.1e-05	Neutral nitrogen compounds
918	33	41	0	1	0	14	451.338	5e-05	Neutral nitrogen compounds
919	34	43	0	1	0	14	465.354	3.7e-05	Neutral nitrogen compounds
920	35	45	0	1	0	14	479.37	3.8e-05	Neutral nitrogen compounds
921	36	47	0	1	0	14	493.386	2.5e-05	Neutral nitrogen compounds
922	37	49	0	1	0	14	507.402	2.1e-05	Neutral nitrogen compounds
923	38	51	0	1	0	14	521.418	1e-05	Neutral nitrogen compounds
924	39	53	0	1	0	14	535.434	8e-06	Neutral nitrogen compounds
925	19	11	0	1	0	15	253.098	3e-06	Neutral nitrogen compounds
926	20	13	0	1	0	15	267.114	6e-06	Neutral nitrogen compounds
927	21	15	0	1	0	15	281.13	1.7e-05	Neutral nitrogen compounds
928	22	17	0	1	0	15	295.146	3.2e-05	Neutral nitrogen compounds
929	23	19	0	1	0	15	309.162	5e-05	Neutral nitrogen compounds
930	23	19	1	1	0	15	325.162	5e-06	Neutral nitrogen compounds
931	24	21	0	1	0	15	323.178	4.4e-05	Neutral nitrogen compounds
932	24	21	1	1	0	15	339.178	6e-06	Neutral nitrogen compounds
933	25	23	0	1	0	15	337.194	5.9e-05	Neutral nitrogen compounds
934	25	23	1	1	0	15	353.194	7e-06	Neutral nitrogen compounds
935	26	25	0	1	0	15	351.21	6.4e-05	Neutral nitrogen compounds
936	26	25	1	1	0	15	367.21	6e-06	Neutral nitrogen compounds
937	27	27	0	1	0	15	365.226	6.2e-05	Neutral nitrogen compounds
938	28	29	0	1	0	15	379.242	6.2e-05	Neutral nitrogen compounds
939	28	29	1	1	0	15	395.242	7e-06	Neutral nitrogen compounds
940	29	31	0	1	0	15	393.258	4.7e-05	Neutral nitrogen compounds
941	30	33	0	1	0	15	407.274	3e-05	Neutral nitrogen compounds
942	30	33	1	1	0	15	423.274	7e-06	Neutral nitrogen compounds
943	31	35	0	1	0	15	421.29	3.5e-05	Neutral nitrogen compounds
944	32	37	0	1	0	15	435.306	2.4e-05	Neutral nitrogen compounds
945	33	39	0	1	0	15	449.322	2.9e-05	Neutral nitrogen compounds
946	34	41	0	1	0	15	463.338	1.5e-05	Neutral nitrogen compounds
947	35	43	0	1	0	15	477.354	1.9e-05	Neutral nitrogen compounds
948	36	45	0	1	0	15	491.37	1.2e-05	Neutral nitrogen compounds
949	37	47	0	1	0	15	505.386	9e-06	Neutral nitrogen compounds
950	38	49	0	1	0	15	519.402	9e-06	Neutral nitrogen compounds
951	22	15	0	1	0	16	293.13	4e-06	Neutral nitrogen compounds
952	23	17	0	1	0	16	307.146	1.5e-05	Neutral nitrogen compounds
953	24	19	0	1	0	16	321.162	2e-05	Neutral nitrogen compounds
954	25	21	0	1	0	16	335.178	1.8e-05	Neutral nitrogen compounds
955	26	23	0	1	0	16	349.194	2.9e-05	Neutral nitrogen compounds
956	26	23	1	1	0	16	365.194	8e-06	Neutral nitrogen compounds
957	27	25	0	1	0	16	363.21	2.5e-05	Neutral nitrogen compounds
958	27	25	1	1	0	16	379.21	1.2e-05	Neutral nitrogen compounds
959	28	27	0	1	0	16	377.226	2.2e-05	Neutral nitrogen compounds
960	28	27	1	1	0	16	393.226	8e-06	Neutral nitrogen compounds
961	29	29	0	1	0	16	391.242	2e-05	Neutral nitrogen compounds
962	29	29	1	1	0	16	407.242	6e-06	Neutral nitrogen compounds
963	30	31	0	1	0	16	405.258	1.5e-05	Neutral nitrogen compounds
964	30	31	1	1	0	16	421.258	1.1e-05	Neutral nitrogen compounds
965	31	33	0	1	0	16	419.274	1.8e-05	Neutral nitrogen compounds
966	31	33	1	1	0	16	435.274	1.3e-05	Neutral nitrogen compounds
967	32	35	0	1	0	16	433.29	1.3e-05	Neutral nitrogen compounds
968	32	35	1	1	0	16	449.29	1.2e-05	Neutral nitrogen compounds
969	33	37	0	1	0	16	447.306	1.2e-05	Neutral nitrogen compounds
970	33	37	1	1	0	16	463.306	1.3e-05	Neutral nitrogen compounds
971	34	39	0	1	0	16	461.322	9e-06	Neutral nitrogen compounds
972	34	39	1	1	0	16	477.322	8e-06	Neutral nitrogen compounds
973	35	41	0	1	0	16	475.338	1e-05	Neutral nitrogen compounds
974	37	45	0	1	0	16	503.37	1e-05	Neutral nitrogen compounds
975	38	47	0	1	0	16	517.386	0.000153	Neutral nitrogen compounds
976	24	17	0	1	0	17	319.146	5e-06	Neutral nitrogen compounds
977	25	19	0	1	0	17	333.162	7e-06	Neutral nitrogen compounds
978	26	21	0	1	0	17	347.178	7e-06	Neutral nitrogen compounds
979	27	23	0	1	0	17	361.194	9e-06	Neutral nitrogen compounds
980	28	25	0	1	0	17	375.21	1.4e-05	Neutral nitrogen compounds
981	29	27	0	1	0	17	389.226	1.1e-05	Neutral nitrogen compounds
982	30	29	0	1	0	17	403.242	7e-06	Neutral nitrogen compounds
983	31	31	0	1	0	17	417.258	8e-06	Neutral nitrogen compounds
984	33	35	0	1	0	17	445.29	1e-05	Neutral nitrogen compounds
985	34	37	0	1	0	17	459.306	1.3e-05	Neutral nitrogen compounds
986	35	39	0	1	0	17	473.322	7e-06	Neutral nitrogen compounds
987	18	11	0	1	0	14	241.098	8e-06	Basic nitrogen compounds
988	16	11	0	1	0	12	217.098	0.000177	Basic nitrogen compounds
989	14	11	0	1	0	10	193.098	5e-06	Basic nitrogen compounds
990	20	13	0	1	0	15	267.114	5.2e-05	Basic nitrogen compounds
991	19	13	0	1	0	14	255.114	6.5e-05	Basic nitrogen compounds
992	18	13	0	1	0	13	243.114	8e-06	Basic nitrogen compounds
993	17	13	0	1	0	12	231.114	0.000416	Basic nitrogen compounds
994	16	13	0	1	0	11	219.114	1.2e-05	Basic nitrogen compounds
995	15	13	0	1	0	10	207.114	3.8e-05	Basic nitrogen compounds
996	15	13	1	1	0	10	223.114	3.1e-05	Basic nitrogen compounds
997	14	13	0	1	0	9	195.114	0.000686	Basic nitrogen compounds
998	13	13	1	1	0	8	199.114	5e-06	Basic nitrogen compounds
999	12	13	1	1	0	7	187.114	4e-06	Basic nitrogen compounds
1000	22	15	0	1	0	16	293.13	8e-06	Basic nitrogen compounds
1001	21	15	0	1	0	15	281.13	0.000249	Basic nitrogen compounds
1002	20	15	0	1	0	14	269.13	1.8e-05	Basic nitrogen compounds
1003	19	15	0	1	0	13	257.13	6.5e-05	Basic nitrogen compounds
1004	18	15	0	1	0	12	245.13	0.000921	Basic nitrogen compounds
1005	17	15	0	1	0	11	233.13	2.2e-05	Basic nitrogen compounds
1006	17	15	1	1	0	11	249.13	1e-05	Basic nitrogen compounds
1007	16	15	0	1	0	10	221.13	0.000324	Basic nitrogen compounds
1008	16	15	1	1	0	10	237.13	2.1e-05	Basic nitrogen compounds
1009	15	15	0	1	0	9	209.13	0.003919	Basic nitrogen compounds
1010	15	15	1	1	0	9	225.13	1.4e-05	Basic nitrogen compounds
1011	14	15	1	1	0	8	213.13	9e-06	Basic nitrogen compounds
1012	13	15	0	1	0	7	185.13	5e-06	Basic nitrogen compounds
1013	13	15	1	1	0	7	201.13	9e-06	Basic nitrogen compounds
1014	12	15	0	1	0	6	173.13	4e-06	Basic nitrogen compounds
1015	23	17	0	1	0	16	307.146	2.8e-05	Basic nitrogen compounds
1016	22	17	0	1	0	15	295.146	0.000386	Basic nitrogen compounds
1017	21	17	0	1	0	14	283.146	5e-05	Basic nitrogen compounds
1018	20	17	0	1	0	13	271.146	0.000191	Basic nitrogen compounds
1019	19	17	0	1	0	12	259.146	0.001727	Basic nitrogen compounds
1020	18	17	0	1	0	11	247.146	2.4e-05	Basic nitrogen compounds
1021	18	17	1	1	0	11	263.146	1e-05	Basic nitrogen compounds
1022	17	17	0	1	0	10	235.146	0.000791	Basic nitrogen compounds
1023	17	17	1	1	0	10	251.146	2.6e-05	Basic nitrogen compounds
1024	16	17	0	1	0	9	223.146	0.00922	Basic nitrogen compounds
1025	16	17	1	1	0	9	239.146	1.7e-05	Basic nitrogen compounds
1026	15	17	0	1	0	8	211.146	9e-06	Basic nitrogen compounds
1027	15	17	1	1	0	8	227.146	1e-05	Basic nitrogen compounds
1028	14	17	0	1	0	7	199.146	1.5e-05	Basic nitrogen compounds
1029	14	17	1	1	0	7	215.146	1.7e-05	Basic nitrogen compounds
1030	13	17	0	1	0	6	187.146	1e-05	Basic nitrogen compounds
1031	24	19	0	1	0	16	321.162	4.9e-05	Basic nitrogen compounds
1032	23	19	0	1	0	15	309.162	0.000324	Basic nitrogen compounds
1033	22	19	0	1	0	14	297.162	9.8e-05	Basic nitrogen compounds
1034	21	19	0	1	0	13	285.162	0.000372	Basic nitrogen compounds
1035	20	19	0	1	0	12	273.162	0.001603	Basic nitrogen compounds
1036	19	19	0	1	0	11	261.162	8.8e-05	Basic nitrogen compounds
1037	19	19	1	1	0	11	277.162	1.5e-05	Basic nitrogen compounds
1038	18	19	0	1	0	10	249.162	0.001166	Basic nitrogen compounds
1039	18	19	1	1	0	10	265.162	2.9e-05	Basic nitrogen compounds
1040	17	19	0	1	0	9	237.162	0.008863	Basic nitrogen compounds
1041	17	19	1	1	0	9	253.162	2.3e-05	Basic nitrogen compounds
1042	16	19	0	1	0	8	225.162	3.3e-05	Basic nitrogen compounds
1043	16	19	1	1	0	8	241.162	1.9e-05	Basic nitrogen compounds
1044	15	19	0	1	0	7	213.162	6.8e-05	Basic nitrogen compounds
1045	15	19	1	1	0	7	229.162	2.6e-05	Basic nitrogen compounds
1046	14	19	0	1	0	6	201.162	1.6e-05	Basic nitrogen compounds
1047	25	21	0	1	0	16	335.178	5.1e-05	Basic nitrogen compounds
1048	24	21	0	1	0	15	323.178	0.000191	Basic nitrogen compounds
1049	23	21	0	1	0	14	311.178	0.000153	Basic nitrogen compounds
1050	22	21	0	1	0	13	299.178	0.000517	Basic nitrogen compounds
1051	21	21	0	1	0	12	287.178	0.00131	Basic nitrogen compounds
1052	20	21	0	1	0	11	275.178	0.000194	Basic nitrogen compounds
1053	20	21	1	1	0	11	291.178	1.6e-05	Basic nitrogen compounds
1054	19	21	0	1	0	10	263.178	0.00152	Basic nitrogen compounds
1055	19	21	1	1	0	10	279.178	2.5e-05	Basic nitrogen compounds
1056	18	21	0	1	0	9	251.178	0.008618	Basic nitrogen compounds
1057	18	21	1	1	0	9	267.178	3.1e-05	Basic nitrogen compounds
1058	17	21	0	1	0	8	239.178	0.000116	Basic nitrogen compounds
1059	17	21	1	1	0	8	255.178	3.5e-05	Basic nitrogen compounds
1060	16	21	0	1	0	7	227.178	0.000157	Basic nitrogen compounds
1061	16	21	1	1	0	7	243.178	3.1e-05	Basic nitrogen compounds
1062	15	21	0	1	0	6	215.178	4.8e-05	Basic nitrogen compounds
1063	15	21	1	1	0	6	231.178	1.1e-05	Basic nitrogen compounds
1064	26	23	0	1	0	16	349.194	3.7e-05	Basic nitrogen compounds
1065	25	23	0	1	0	15	337.194	0.00012	Basic nitrogen compounds
1066	24	23	0	1	0	14	325.194	0.000193	Basic nitrogen compounds
1067	23	23	0	1	0	13	313.194	0.000514	Basic nitrogen compounds
1068	22	23	0	1	0	12	301.194	0.000978	Basic nitrogen compounds
1069	21	23	0	1	0	11	289.194	0.000388	Basic nitrogen compounds
1070	21	23	1	1	0	11	305.194	1.1e-05	Basic nitrogen compounds
1071	20	23	0	1	0	10	277.194	0.001267	Basic nitrogen compounds
1072	20	23	1	1	0	10	293.194	2.5e-05	Basic nitrogen compounds
1073	19	23	0	1	0	9	265.194	0.006666	Basic nitrogen compounds
1074	19	23	1	1	0	9	281.194	2.5e-05	Basic nitrogen compounds
1075	18	23	0	1	0	8	253.194	0.000328	Basic nitrogen compounds
1076	18	23	1	1	0	8	269.194	3.9e-05	Basic nitrogen compounds
1077	17	23	0	1	0	7	241.194	0.000221	Basic nitrogen compounds
1078	17	23	1	1	0	7	257.194	5e-05	Basic nitrogen compounds
1079	16	23	0	1	0	6	229.194	8.3e-05	Basic nitrogen compounds
1080	16	23	1	1	0	6	245.194	1.3e-05	Basic nitrogen compounds
1081	15	23	1	1	0	5	233.194	1.2e-05	Basic nitrogen compounds
1082	27	25	0	1	0	16	363.21	3.1e-05	Basic nitrogen compounds
1083	26	25	0	1	0	15	351.21	7.3e-05	Basic nitrogen compounds
1084	25	25	0	1	0	14	339.21	0.000169	Basic nitrogen compounds
1085	24	25	0	1	0	13	327.21	0.000453	Basic nitrogen compounds
1086	23	25	0	1	0	12	315.21	0.000843	Basic nitrogen compounds
1087	22	25	0	1	0	11	303.21	0.000458	Basic nitrogen compounds
1088	22	25	1	1	0	11	319.21	1.4e-05	Basic nitrogen compounds
1089	21	25	0	1	0	10	291.21	0.001086	Basic nitrogen compounds
1090	21	25	1	1	0	10	307.21	2.6e-05	Basic nitrogen compounds
1091	20	25	0	1	0	9	279.21	0.003216	Basic nitrogen compounds
1092	20	25	1	1	0	9	295.21	2.7e-05	Basic nitrogen compounds
1093	19	25	0	1	0	8	267.21	0.000575	Basic nitrogen compounds
1094	19	25	1	1	0	8	283.21	4e-05	Basic nitrogen compounds
1095	18	25	0	1	0	7	255.21	0.00051	Basic nitrogen compounds
1096	18	25	1	1	0	7	271.21	5.5e-05	Basic nitrogen compounds
1097	17	25	0	1	0	6	243.21	0.000149	Basic nitrogen compounds
1098	17	25	1	1	0	6	259.21	1.8e-05	Basic nitrogen compounds
1099	16	25	1	1	0	5	247.21	9e-06	Basic nitrogen compounds
1100	28	27	0	1	0	16	377.226	1.9e-05	Basic nitrogen compounds
1101	27	27	0	1	0	15	365.226	6.1e-05	Basic nitrogen compounds
1102	26	27	0	1	0	14	353.226	0.000165	Basic nitrogen compounds
1103	25	27	0	1	0	13	341.226	0.000341	Basic nitrogen compounds
1104	24	27	0	1	0	12	329.226	0.000755	Basic nitrogen compounds
1105	23	27	0	1	0	11	317.226	0.000484	Basic nitrogen compounds
1106	22	27	0	1	0	10	305.226	0.000985	Basic nitrogen compounds
1107	22	27	1	1	0	10	321.226	2.7e-05	Basic nitrogen compounds
1108	21	27	0	1	0	9	293.226	0.002116	Basic nitrogen compounds
1109	21	27	1	1	0	9	309.226	2.4e-05	Basic nitrogen compounds
1110	20	27	0	1	0	8	281.226	0.000516	Basic nitrogen compounds
1111	20	27	1	1	0	8	297.226	3.4e-05	Basic nitrogen compounds
1112	19	27	0	1	0	7	269.226	0.000851	Basic nitrogen compounds
1113	19	27	1	1	0	7	285.226	6e-05	Basic nitrogen compounds
1114	18	27	0	1	0	6	257.226	0.000288	Basic nitrogen compounds
1115	18	27	1	1	0	6	273.226	2.8e-05	Basic nitrogen compounds
1116	17	27	1	1	0	5	261.226	1.3e-05	Basic nitrogen compounds
1117	16	27	1	1	0	4	249.226	9e-06	Basic nitrogen compounds
1118	29	29	0	1	0	16	391.242	1.2e-05	Basic nitrogen compounds
1119	28	29	0	1	0	15	379.242	2.8e-05	Basic nitrogen compounds
1120	27	29	0	1	0	14	367.242	0.000121	Basic nitrogen compounds
1121	26	29	0	1	0	13	355.242	0.000273	Basic nitrogen compounds
1122	25	29	0	1	0	12	343.242	0.000644	Basic nitrogen compounds
1123	24	29	0	1	0	11	331.242	0.000461	Basic nitrogen compounds
1124	23	29	0	1	0	10	319.242	0.00091	Basic nitrogen compounds
1125	23	29	1	1	0	10	335.242	1.8e-05	Basic nitrogen compounds
1126	22	29	0	1	0	9	307.242	0.001811	Basic nitrogen compounds
1127	22	29	1	1	0	9	323.242	2e-05	Basic nitrogen compounds
1128	21	29	0	1	0	8	295.242	0.000356	Basic nitrogen compounds
1129	21	29	1	1	0	8	311.242	3.1e-05	Basic nitrogen compounds
1130	20	29	0	1	0	7	283.242	0.000691	Basic nitrogen compounds
1131	20	29	1	1	0	7	299.242	5.2e-05	Basic nitrogen compounds
1132	19	29	0	1	0	6	271.242	0.000402	Basic nitrogen compounds
1133	19	29	1	1	0	6	287.242	3.5e-05	Basic nitrogen compounds
1134	18	29	1	1	0	5	275.242	1.8e-05	Basic nitrogen compounds
1135	17	29	1	1	0	4	263.242	7e-06	Basic nitrogen compounds
1136	30	31	0	1	0	16	405.258	1.6e-05	Basic nitrogen compounds
1137	29	31	0	1	0	15	393.258	9e-06	Basic nitrogen compounds
1138	28	31	0	1	0	14	381.258	7.9e-05	Basic nitrogen compounds
1139	27	31	0	1	0	13	369.258	0.000191	Basic nitrogen compounds
1140	26	31	0	1	0	12	357.258	0.000516	Basic nitrogen compounds
1141	25	31	0	1	0	11	345.258	0.000384	Basic nitrogen compounds
1142	24	31	0	1	0	10	333.258	0.000757	Basic nitrogen compounds
1143	24	31	1	1	0	10	349.258	1.8e-05	Basic nitrogen compounds
1144	23	31	0	1	0	9	321.258	0.001554	Basic nitrogen compounds
1145	23	31	1	1	0	9	337.258	1.3e-05	Basic nitrogen compounds
1146	22	31	0	1	0	8	309.258	0.000261	Basic nitrogen compounds
1147	22	31	1	1	0	8	325.258	3.4e-05	Basic nitrogen compounds
1148	21	31	0	1	0	7	297.258	0.000507	Basic nitrogen compounds
1149	21	31	1	1	0	7	313.258	4.8e-05	Basic nitrogen compounds
1150	20	31	0	1	0	6	285.258	0.000434	Basic nitrogen compounds
1151	20	31	1	1	0	6	301.258	3.4e-05	Basic nitrogen compounds
1152	19	31	1	1	0	5	289.258	1.7e-05	Basic nitrogen compounds
1153	18	31	1	1	0	4	277.258	2.7e-05	Basic nitrogen compounds
1154	29	33	0	1	0	14	395.274	4.7e-05	Basic nitrogen compounds
1155	28	33	0	1	0	13	383.274	0.000128	Basic nitrogen compounds
1156	27	33	0	1	0	12	371.274	0.00036	Basic nitrogen compounds
1157	26	33	0	1	0	11	359.274	0.000312	Basic nitrogen compounds
1158	25	33	0	1	0	10	347.274	0.000631	Basic nitrogen compounds
1159	25	33	1	1	0	10	363.274	1.3e-05	Basic nitrogen compounds
1160	24	33	0	1	0	9	335.274	0.001341	Basic nitrogen compounds
1161	24	33	1	1	0	9	351.274	1e-05	Basic nitrogen compounds
1162	23	33	0	1	0	8	323.274	0.000177	Basic nitrogen compounds
1163	23	33	1	1	0	8	339.274	2.2e-05	Basic nitrogen compounds
1164	22	33	0	1	0	7	311.274	0.000376	Basic nitrogen compounds
1165	22	33	1	1	0	7	327.274	3.2e-05	Basic nitrogen compounds
1166	21	33	0	1	0	6	299.274	0.000316	Basic nitrogen compounds
1167	21	33	1	1	0	6	315.274	2.9e-05	Basic nitrogen compounds
1168	20	33	1	1	0	5	303.274	1.9e-05	Basic nitrogen compounds
1169	19	33	1	1	0	4	291.274	1.6e-05	Basic nitrogen compounds
1170	30	35	0	1	0	14	409.29	3.2e-05	Basic nitrogen compounds
1171	29	35	0	1	0	13	397.29	8.3e-05	Basic nitrogen compounds
1172	28	35	0	1	0	12	385.29	0.000227	Basic nitrogen compounds
1173	27	35	0	1	0	11	373.29	0.000239	Basic nitrogen compounds
1174	26	35	0	1	0	10	361.29	0.000559	Basic nitrogen compounds
1175	26	35	1	1	0	10	377.29	1.4e-05	Basic nitrogen compounds
1176	25	35	0	1	0	9	349.29	0.001158	Basic nitrogen compounds
1177	25	35	1	1	0	9	365.29	1.3e-05	Basic nitrogen compounds
1178	24	35	0	1	0	8	337.29	0.000138	Basic nitrogen compounds
1179	24	35	1	1	0	8	353.29	1.7e-05	Basic nitrogen compounds
1180	23	35	0	1	0	7	325.29	0.000222	Basic nitrogen compounds
1181	23	35	1	1	0	7	341.29	3.2e-05	Basic nitrogen compounds
1182	22	35	0	1	0	6	313.29	0.000258	Basic nitrogen compounds
1183	22	35	1	1	0	6	329.29	3.3e-05	Basic nitrogen compounds
1184	21	35	1	1	0	5	317.29	1.7e-05	Basic nitrogen compounds
1185	20	35	1	1	0	4	305.29	1.8e-05	Basic nitrogen compounds
1186	31	37	0	1	0	14	423.306	2.1e-05	Basic nitrogen compounds
1187	30	37	0	1	0	13	411.306	2e-05	Basic nitrogen compounds
1188	29	37	0	1	0	12	399.306	0.000135	Basic nitrogen compounds
1189	28	37	0	1	0	11	387.306	0.00016	Basic nitrogen compounds
1190	27	37	0	1	0	10	375.306	0.000408	Basic nitrogen compounds
1191	27	37	1	1	0	10	391.306	1.1e-05	Basic nitrogen compounds
1192	26	37	0	1	0	9	363.306	0.000924	Basic nitrogen compounds
1193	25	37	0	1	0	8	351.306	0.000104	Basic nitrogen compounds
1194	24	37	0	1	0	7	339.306	0.000133	Basic nitrogen compounds
1195	24	37	1	1	0	7	355.306	1.9e-05	Basic nitrogen compounds
1196	23	37	0	1	0	6	327.306	0.000179	Basic nitrogen compounds
1197	23	37	1	1	0	6	343.306	2e-05	Basic nitrogen compounds
1198	22	37	1	1	0	5	331.306	1.7e-05	Basic nitrogen compounds
1199	21	37	1	1	0	4	319.306	2.2e-05	Basic nitrogen compounds
1200	32	39	0	1	0	14	437.322	1.6e-05	Basic nitrogen compounds
1201	31	39	0	1	0	13	425.322	2.5e-05	Basic nitrogen compounds
1202	30	39	0	1	0	12	413.322	6.9e-05	Basic nitrogen compounds
1203	29	39	0	1	0	11	401.322	0.000123	Basic nitrogen compounds
1204	28	39	0	1	0	10	389.322	0.000263	Basic nitrogen compounds
1205	27	39	0	1	0	9	377.322	0.000668	Basic nitrogen compounds
1206	26	39	0	1	0	8	365.322	8.1e-05	Basic nitrogen compounds
1207	25	39	0	1	0	7	353.322	0.000109	Basic nitrogen compounds
1208	25	39	1	1	0	7	369.322	1.6e-05	Basic nitrogen compounds
1209	24	39	0	1	0	6	341.322	0.000113	Basic nitrogen compounds
1210	24	39	1	1	0	6	357.322	1.6e-05	Basic nitrogen compounds
1211	23	39	1	1	0	5	345.322	1.4e-05	Basic nitrogen compounds
1212	22	39	1	1	0	4	333.322	1.5e-05	Basic nitrogen compounds
1213	32	41	0	1	0	13	439.338	1.1e-05	Basic nitrogen compounds
1214	31	41	0	1	0	12	427.338	4.7e-05	Basic nitrogen compounds
1215	30	41	0	1	0	11	415.338	8.3e-05	Basic nitrogen compounds
1216	29	41	0	1	0	10	403.338	0.00019	Basic nitrogen compounds
1217	28	41	0	1	0	9	391.338	0.00045	Basic nitrogen compounds
1218	27	41	0	1	0	8	379.338	5.5e-05	Basic nitrogen compounds
1219	26	41	0	1	0	7	367.338	7.9e-05	Basic nitrogen compounds
1220	26	41	1	1	0	7	383.338	1.1e-05	Basic nitrogen compounds
1221	25	41	0	1	0	6	355.338	0.000102	Basic nitrogen compounds
1222	25	41	1	1	0	6	371.338	1.5e-05	Basic nitrogen compounds
1223	24	41	1	1	0	5	359.338	3.7e-05	Basic nitrogen compounds
1224	23	41	1	1	0	4	347.338	1.3e-05	Basic nitrogen compounds
1225	32	43	0	1	0	12	441.354	2.6e-05	Basic nitrogen compounds
1226	31	43	0	1	0	11	429.354	4.5e-05	Basic nitrogen compounds
1227	30	43	0	1	0	10	417.354	0.000107	Basic nitrogen compounds
1228	29	43	0	1	0	9	405.354	0.000331	Basic nitrogen compounds
1229	28	43	0	1	0	8	393.354	3.4e-05	Basic nitrogen compounds
1230	27	43	0	1	0	7	381.354	6e-05	Basic nitrogen compounds
1231	26	43	0	1	0	6	369.354	6.6e-05	Basic nitrogen compounds
1232	24	43	1	1	0	4	361.354	9e-06	Basic nitrogen compounds
1233	33	45	0	1	0	12	455.37	1.2e-05	Basic nitrogen compounds
1234	32	45	0	1	0	11	443.37	2.4e-05	Basic nitrogen compounds
1235	31	45	0	1	0	10	431.37	7.5e-05	Basic nitrogen compounds
1236	30	45	0	1	0	9	419.37	0.000201	Basic nitrogen compounds
1237	29	45	0	1	0	8	407.37	3.4e-05	Basic nitrogen compounds
1238	28	45	0	1	0	7	395.37	5.1e-05	Basic nitrogen compounds
1239	27	45	0	1	0	6	383.37	5.9e-05	Basic nitrogen compounds
1240	25	45	1	1	0	4	375.37	1e-05	Basic nitrogen compounds
1241	33	47	0	1	0	11	457.386	2e-05	Basic nitrogen compounds
1242	32	47	0	1	0	10	445.386	4.2e-05	Basic nitrogen compounds
1243	31	47	0	1	0	9	433.386	0.000122	Basic nitrogen compounds
1244	30	47	0	1	0	8	421.386	2.4e-05	Basic nitrogen compounds
1245	29	47	0	1	0	7	409.386	2.8e-05	Basic nitrogen compounds
1246	28	47	0	1	0	6	397.386	4.1e-05	Basic nitrogen compounds
1247	33	49	0	1	0	10	459.402	2.7e-05	Basic nitrogen compounds
1248	32	49	0	1	0	9	447.402	6.3e-05	Basic nitrogen compounds
1249	31	49	0	1	0	8	435.402	2.2e-05	Basic nitrogen compounds
1250	30	49	0	1	0	7	423.402	2.7e-05	Basic nitrogen compounds
1251	29	49	0	1	0	6	411.402	1.9e-05	Basic nitrogen compounds
1252	33	51	0	1	0	9	461.418	3.1e-05	Basic nitrogen compounds
1253	31	51	0	1	0	7	437.418	2.3e-05	Basic nitrogen compounds
1254	30	51	0	1	0	6	425.418	2.3e-05	Basic nitrogen compounds
1255	34	53	0	1	0	9	475.434	1.3e-05	Basic nitrogen compounds
1256	31	53	0	1	0	6	439.434	1.4e-05	Basic nitrogen compounds
1257	48	74	0	0	1	12	682.652	0.000181	Thiophenic compounds
1258	42	74	0	0	1	6	610.652	0.00024	Thiophenic compounds
1259	45	72	0	0	1	10	644.636	0.000169	Thiophenic compounds
1260	44	72	0	0	1	9	632.636	0.000182	Thiophenic compounds
1261	41	72	0	0	1	6	596.636	0.000178	Thiophenic compounds
1262	40	72	0	0	1	5	584.636	0.000292	Thiophenic compounds
1263	44	70	0	0	1	10	630.62	0.000166	Thiophenic compounds
1264	43	70	0	0	1	9	618.62	0.000178	Thiophenic compounds
1265	39	70	0	0	1	5	570.62	0.000303	Thiophenic compounds
1266	45	68	0	0	1	12	640.604	0.000173	Thiophenic compounds
1267	44	68	0	0	1	11	628.604	0.000201	Thiophenic compounds
1268	43	68	0	0	1	10	616.604	0.000264	Thiophenic compounds
1269	42	68	0	0	1	9	604.604	0.000207	Thiophenic compounds
1270	41	68	0	0	1	8	592.604	0.000185	Thiophenic compounds
1271	40	68	0	0	1	7	580.604	0.000224	Thiophenic compounds
1272	39	68	0	0	1	6	568.604	0.000362	Thiophenic compounds
1273	38	68	0	0	1	5	556.604	0.000241	Thiophenic compounds
1274	44	66	0	0	1	12	626.588	0.000179	Thiophenic compounds
1275	43	66	0	0	1	11	614.588	0.000268	Thiophenic compounds
1276	42	66	0	0	1	10	602.588	0.000336	Thiophenic compounds
1277	41	66	0	0	1	9	590.588	0.000277	Thiophenic compounds
1278	40	66	0	0	1	8	578.588	0.000207	Thiophenic compounds
1279	39	66	0	0	1	7	566.588	0.000293	Thiophenic compounds
1280	38	66	0	0	1	6	554.588	0.000403	Thiophenic compounds
1281	37	66	0	0	1	5	542.588	0.000283	Thiophenic compounds
1282	35	66	0	0	1	3	518.588	0.000301	Thiophenic compounds
1283	44	64	0	0	1	13	624.572	0.000216	Thiophenic compounds
1284	43	64	0	0	1	12	612.572	0.000237	Thiophenic compounds
1285	42	64	0	0	1	11	600.572	0.000302	Thiophenic compounds
1286	41	64	0	0	1	10	588.572	0.000379	Thiophenic compounds
1287	40	64	0	0	1	9	576.572	0.000408	Thiophenic compounds
1288	39	64	0	0	1	8	564.572	0.000271	Thiophenic compounds
1289	38	64	0	0	1	7	552.572	0.000381	Thiophenic compounds
1290	37	64	0	0	1	6	540.572	0.00059	Thiophenic compounds
1291	36	64	0	0	1	5	528.572	0.000382	Thiophenic compounds
1292	35	64	0	0	1	4	516.572	0.000264	Thiophenic compounds
1293	44	62	0	0	1	14	622.556	0.000261	Thiophenic compounds
1294	42	62	0	0	1	12	598.556	0.000316	Thiophenic compounds
1295	41	62	0	0	1	11	586.556	0.000391	Thiophenic compounds
1296	40	62	0	0	1	10	574.556	0.000615	Thiophenic compounds
1297	39	62	0	0	1	9	562.556	0.000552	Thiophenic compounds
1298	38	62	0	0	1	8	550.556	0.00039	Thiophenic compounds
1299	37	62	0	0	1	7	538.556	0.000422	Thiophenic compounds
1300	36	62	0	0	1	6	526.556	0.000684	Thiophenic compounds
1301	35	62	0	0	1	5	514.556	0.000609	Thiophenic compounds
1302	34	62	0	0	1	4	502.556	0.00035	Thiophenic compounds
1303	33	62	0	0	1	3	490.556	0.00048	Thiophenic compounds
1304	44	60	0	0	1	15	620.54	0.000242	Thiophenic compounds
1305	43	60	0	0	1	14	608.54	0.000239	Thiophenic compounds
1306	42	60	0	0	1	13	596.54	0.000237	Thiophenic compounds
1307	41	60	0	0	1	12	584.54	0.000249	Thiophenic compounds
1308	40	60	0	0	1	11	572.54	0.000409	Thiophenic compounds
1309	39	60	0	0	1	10	560.54	0.000621	Thiophenic compounds
1310	38	60	0	0	1	9	548.54	0.000665	Thiophenic compounds
1311	37	60	0	0	1	8	536.54	0.00046	Thiophenic compounds
1312	36	60	0	0	1	7	524.54	0.000593	Thiophenic compounds
1313	35	60	0	0	1	6	512.54	0.000852	Thiophenic compounds
1314	34	60	0	0	1	5	500.54	0.000611	Thiophenic compounds
1315	33	60	0	0	1	4	488.54	0.000479	Thiophenic compounds
1316	32	60	0	0	1	3	476.54	0.000601	Thiophenic compounds
1317	43	58	0	0	1	15	606.524	0.000203	Thiophenic compounds
1318	42	58	0	0	1	14	594.524	0.000382	Thiophenic compounds
1319	41	58	0	0	1	13	582.524	0.000263	Thiophenic compounds
1320	40	58	0	0	1	12	570.524	0.00041	Thiophenic compounds
1321	39	58	0	0	1	11	558.524	0.000464	Thiophenic compounds
1322	38	58	0	0	1	10	546.524	0.000726	Thiophenic compounds
1323	37	58	0	0	1	9	534.524	0.000697	Thiophenic compounds
1324	36	58	0	0	1	8	522.524	0.000592	Thiophenic compounds
1325	35	58	0	0	1	7	510.524	0.000731	Thiophenic compounds
1326	34	58	0	0	1	6	498.524	0.001357	Thiophenic compounds
1327	33	58	0	0	1	5	486.524	0.000948	Thiophenic compounds
1328	32	58	0	0	1	4	474.524	0.000541	Thiophenic compounds
1329	31	58	0	0	1	3	462.524	0.000711	Thiophenic compounds
1330	44	56	0	0	1	17	616.508	0.000178	Thiophenic compounds
1331	43	56	0	0	1	16	604.508	0.000211	Thiophenic compounds
1332	42	56	0	0	1	15	592.508	0.00032	Thiophenic compounds
1333	41	56	0	0	1	14	580.508	0.000299	Thiophenic compounds
1334	40	56	0	0	1	13	568.508	0.000353	Thiophenic compounds
1335	39	56	0	0	1	12	556.508	0.00036	Thiophenic compounds
1336	38	56	0	0	1	11	544.508	0.000673	Thiophenic compounds
1337	37	56	0	0	1	10	532.508	0.000693	Thiophenic compounds
1338	36	56	0	0	1	9	520.508	0.000812	Thiophenic compounds
1339	35	56	0	0	1	8	508.508	0.000739	Thiophenic compounds
1340	34	56	0	0	1	7	496.508	0.000985	Thiophenic compounds
1341	33	56	0	0	1	6	484.508	0.001737	Thiophenic compounds
1342	32	56	0	0	1	5	472.508	0.001167	Thiophenic compounds
1343	31	56	0	0	1	4	460.508	0.000818	Thiophenic compounds
1344	30	56	0	0	1	3	448.508	0.000719	Thiophenic compounds
1345	43	54	0	0	1	17	602.492	0.000189	Thiophenic compounds
1346	41	54	0	0	1	15	578.492	0.000317	Thiophenic compounds
1347	40	54	0	0	1	14	566.492	0.000402	Thiophenic compounds
1348	39	54	0	0	1	13	554.492	0.000469	Thiophenic compounds
1349	38	54	0	0	1	12	542.492	0.000498	Thiophenic compounds
1350	37	54	0	0	1	11	530.492	0.000652	Thiophenic compounds
1351	36	54	0	0	1	10	518.492	0.000959	Thiophenic compounds
1352	35	54	0	0	1	9	506.492	0.000844	Thiophenic compounds
1353	34	54	0	0	1	8	494.492	0.000887	Thiophenic compounds
1354	33	54	0	0	1	7	482.492	0.00118	Thiophenic compounds
1355	32	54	0	0	1	6	470.492	0.002421	Thiophenic compounds
1356	31	54	0	0	1	5	458.492	0.001768	Thiophenic compounds
1357	30	54	0	0	1	4	446.492	0.000862	Thiophenic compounds
1358	29	54	0	0	1	3	434.492	0.000873	Thiophenic compounds
1359	41	52	0	0	1	16	576.476	0.000231	Thiophenic compounds
1360	40	52	0	0	1	15	564.476	0.000371	Thiophenic compounds
1361	39	52	0	0	1	14	552.476	0.000417	Thiophenic compounds
1362	38	52	0	0	1	13	540.476	0.000453	Thiophenic compounds
1363	37	52	0	0	1	12	528.476	0.000541	Thiophenic compounds
1364	36	52	0	0	1	11	516.476	0.000661	Thiophenic compounds
1365	35	52	0	0	1	10	504.476	0.001153	Thiophenic compounds
1366	34	52	0	0	1	9	492.476	0.001083	Thiophenic compounds
1367	33	52	0	0	1	8	480.476	0.001126	Thiophenic compounds
1368	32	52	0	0	1	7	468.476	0.001722	Thiophenic compounds
1369	31	52	0	0	1	6	456.476	0.002816	Thiophenic compounds
1370	30	52	0	0	1	5	444.476	0.002183	Thiophenic compounds
1371	29	52	0	0	1	4	432.476	0.001139	Thiophenic compounds
1372	28	52	0	0	1	3	420.476	0.001149	Thiophenic compounds
1373	41	50	0	0	1	17	574.46	0.000191	Thiophenic compounds
1374	40	50	0	0	1	16	562.46	0.000341	Thiophenic compounds
1375	39	50	0	0	1	15	550.46	0.000432	Thiophenic compounds
1376	38	50	0	0	1	14	538.46	0.000473	Thiophenic compounds
1377	37	50	0	0	1	13	526.46	0.000549	Thiophenic compounds
1378	36	50	0	0	1	12	514.46	0.00065	Thiophenic compounds
1379	35	50	0	0	1	11	502.46	0.000844	Thiophenic compounds
1380	34	50	0	0	1	10	490.46	0.001432	Thiophenic compounds
1381	33	50	0	0	1	9	478.46	0.001532	Thiophenic compounds
1382	32	50	0	0	1	8	466.46	0.001293	Thiophenic compounds
1383	31	50	0	0	1	7	454.46	0.002013	Thiophenic compounds
1384	30	50	0	0	1	6	442.46	0.003711	Thiophenic compounds
1385	29	50	0	0	1	5	430.46	0.002395	Thiophenic compounds
1386	28	50	0	0	1	4	418.46	0.001644	Thiophenic compounds
1387	27	50	0	0	1	3	406.46	0.00123	Thiophenic compounds
1388	41	48	0	0	1	18	572.444	0.000223	Thiophenic compounds
1389	40	48	0	0	1	17	560.444	0.000238	Thiophenic compounds
1390	39	48	0	0	1	16	548.444	0.000288	Thiophenic compounds
1391	38	48	0	0	1	15	536.444	0.000506	Thiophenic compounds
1392	37	48	0	0	1	14	524.444	0.000501	Thiophenic compounds
1393	36	48	0	0	1	13	512.444	0.000646	Thiophenic compounds
1394	35	48	0	0	1	12	500.444	0.000698	Thiophenic compounds
1395	34	48	0	0	1	11	488.444	0.001055	Thiophenic compounds
1396	33	48	0	0	1	10	476.444	0.001875	Thiophenic compounds
1397	32	48	0	0	1	9	464.444	0.001849	Thiophenic compounds
1398	31	48	0	0	1	8	452.444	0.001628	Thiophenic compounds
1399	30	48	0	0	1	7	440.444	0.002791	Thiophenic compounds
1400	29	48	0	0	1	6	428.444	0.004588	Thiophenic compounds
1401	28	48	0	0	1	5	416.444	0.003174	Thiophenic compounds
1402	27	48	0	0	1	4	404.444	0.002182	Thiophenic compounds
1403	26	48	0	0	1	3	392.444	0.001409	Thiophenic compounds
1404	40	46	0	0	1	18	558.428	0.000159	Thiophenic compounds
1405	39	46	0	0	1	17	546.428	0.000265	Thiophenic compounds
1406	38	46	0	0	1	16	534.428	0.000448	Thiophenic compounds
1407	37	46	0	0	1	15	522.428	0.000479	Thiophenic compounds
1408	36	46	0	0	1	14	510.428	0.000526	Thiophenic compounds
1409	35	46	0	0	1	13	498.428	0.000901	Thiophenic compounds
1410	34	46	0	0	1	12	486.428	0.000849	Thiophenic compounds
1411	33	46	0	0	1	11	474.428	0.001304	Thiophenic compounds
1412	32	46	0	0	1	10	462.428	0.002339	Thiophenic compounds
1413	31	46	0	0	1	9	450.428	0.002604	Thiophenic compounds
1414	30	46	0	0	1	8	438.428	0.002103	Thiophenic compounds
1415	29	46	0	0	1	7	426.428	0.002973	Thiophenic compounds
1416	28	46	0	0	1	6	414.428	0.00602	Thiophenic compounds
1417	27	46	0	0	1	5	402.428	0.003666	Thiophenic compounds
1418	26	46	0	0	1	4	390.428	0.002956	Thiophenic compounds
1419	25	46	0	0	1	3	378.428	0.001427	Thiophenic compounds
1420	39	44	0	0	1	18	544.412	0.00029	Thiophenic compounds
1421	38	44	0	0	1	17	532.412	0.000326	Thiophenic compounds
1422	37	44	0	0	1	16	520.412	0.000325	Thiophenic compounds
1423	36	44	0	0	1	15	508.412	0.000578	Thiophenic compounds
1424	35	44	0	0	1	14	496.412	0.000764	Thiophenic compounds
1425	34	44	0	0	1	13	484.412	0.000839	Thiophenic compounds
1426	33	44	0	0	1	12	472.412	0.000961	Thiophenic compounds
1427	32	44	0	0	1	11	460.412	0.001744	Thiophenic compounds
1428	31	44	0	0	1	10	448.412	0.002537	Thiophenic compounds
1429	30	44	0	0	1	9	436.412	0.002907	Thiophenic compounds
1430	29	44	0	0	1	8	424.412	0.002383	Thiophenic compounds
1431	28	44	0	0	1	7	412.412	0.003599	Thiophenic compounds
1432	27	44	0	0	1	6	400.412	0.006834	Thiophenic compounds
1433	26	44	0	0	1	5	388.412	0.004584	Thiophenic compounds
1434	25	44	0	0	1	4	376.412	0.003425	Thiophenic compounds
1435	24	44	0	0	1	3	364.412	0.00189	Thiophenic compounds
1436	38	42	0	0	1	18	530.396	0.000479	Thiophenic compounds
1437	37	42	0	0	1	17	518.396	0.000251	Thiophenic compounds
1438	36	42	0	0	1	16	506.396	0.000351	Thiophenic compounds
1439	35	42	0	0	1	15	494.396	0.000481	Thiophenic compounds
1440	34	42	0	0	1	14	482.396	0.000613	Thiophenic compounds
1441	33	42	0	0	1	13	470.396	0.000846	Thiophenic compounds
1442	32	42	0	0	1	12	458.396	0.001015	Thiophenic compounds
1443	31	42	0	0	1	11	446.396	0.001496	Thiophenic compounds
1444	30	42	0	0	1	10	434.396	0.003163	Thiophenic compounds
1445	29	42	0	0	1	9	422.396	0.003723	Thiophenic compounds
1446	28	42	0	0	1	8	410.396	0.002542	Thiophenic compounds
1447	27	42	0	0	1	7	398.396	0.005124	Thiophenic compounds
1448	26	42	0	0	1	6	386.396	0.007134	Thiophenic compounds
1449	25	42	0	0	1	5	374.396	0.002887	Thiophenic compounds
1450	24	42	0	0	1	4	362.396	0.002829	Thiophenic compounds
1451	23	42	0	0	1	3	350.396	0.001637	Thiophenic compounds
1452	37	40	0	0	1	18	516.38	0.00063	Thiophenic compounds
1453	36	40	0	0	1	17	504.38	0.000211	Thiophenic compounds
1454	35	40	0	0	1	16	492.38	0.000319	Thiophenic compounds
1455	34	40	0	0	1	15	480.38	0.000542	Thiophenic compounds
1456	33	40	0	0	1	14	468.38	0.000713	Thiophenic compounds
1457	32	40	0	0	1	13	456.38	0.000851	Thiophenic compounds
1458	31	40	0	0	1	12	444.38	0.001102	Thiophenic compounds
1459	30	40	0	0	1	11	432.38	0.001753	Thiophenic compounds
1460	29	40	0	0	1	10	420.38	0.003761	Thiophenic compounds
1461	28	40	0	0	1	9	408.38	0.004585	Thiophenic compounds
1462	27	40	0	0	1	8	396.38	0.003487	Thiophenic compounds
1463	26	40	0	0	1	7	384.38	0.004625	Thiophenic compounds
1464	25	40	0	0	1	6	372.38	0.007802	Thiophenic compounds
1465	24	40	0	0	1	5	360.38	0.005153	Thiophenic compounds
1466	23	40	0	0	1	4	348.38	0.002478	Thiophenic compounds
1467	22	40	0	0	1	3	336.38	0.001667	Thiophenic compounds
1468	36	38	0	0	1	18	502.364	0.000581	Thiophenic compounds
1469	35	38	0	0	1	17	490.364	0.000213	Thiophenic compounds
1470	34	38	0	0	1	16	478.364	0.000406	Thiophenic compounds
1471	33	38	0	0	1	15	466.364	0.000687	Thiophenic compounds
1472	32	38	0	0	1	14	454.364	0.00061	Thiophenic compounds
1473	31	38	0	0	1	13	442.364	0.000866	Thiophenic compounds
1474	30	38	0	0	1	12	430.364	0.001272	Thiophenic compounds
1475	29	38	0	0	1	11	418.364	0.002213	Thiophenic compounds
1476	28	38	0	0	1	10	406.364	0.004321	Thiophenic compounds
1477	27	38	0	0	1	9	394.364	0.003007	Thiophenic compounds
1478	26	38	0	0	1	8	382.364	0.003659	Thiophenic compounds
1479	25	38	0	0	1	7	370.364	0.006859	Thiophenic compounds
1480	24	38	0	0	1	6	358.364	0.002867	Thiophenic compounds
1481	23	38	0	0	1	5	346.364	0.004977	Thiophenic compounds
1482	22	38	0	0	1	4	334.364	0.002222	Thiophenic compounds
1483	21	38	0	0	1	3	322.364	0.001034	Thiophenic compounds
1484	35	36	0	0	1	18	488.348	0.000502	Thiophenic compounds
1485	34	36	0	0	1	17	476.348	0.000239	Thiophenic compounds
1486	33	36	0	0	1	16	464.348	0.000323	Thiophenic compounds
1487	32	36	0	0	1	15	452.348	0.000628	Thiophenic compounds
1488	31	36	0	0	1	14	440.348	0.000527	Thiophenic compounds
1489	30	36	0	0	1	13	428.348	0.000253	Thiophenic compounds
1490	29	36	0	0	1	12	416.348	0.00142	Thiophenic compounds
1491	28	36	0	0	1	11	404.348	0.002441	Thiophenic compounds
1492	27	36	0	0	1	10	392.348	0.001616	Thiophenic compounds
1493	26	36	0	0	1	9	380.348	0.006758	Thiophenic compounds
1494	25	36	0	0	1	8	368.348	0.004303	Thiophenic compounds
1495	24	36	0	0	1	7	356.348	0.002167	Thiophenic compounds
1496	23	36	0	0	1	6	344.348	0.009297	Thiophenic compounds
1497	22	36	0	0	1	5	332.348	0.00403	Thiophenic compounds
1498	21	36	0	0	1	4	320.348	0.002775	Thiophenic compounds
1499	20	36	0	0	1	3	308.348	0.001237	Thiophenic compounds
1500	34	34	0	0	1	18	474.332	0.000477	Thiophenic compounds
1501	33	34	0	0	1	17	462.332	0.000236	Thiophenic compounds
1502	32	34	0	0	1	16	450.332	0.000406	Thiophenic compounds
1503	31	34	0	0	1	15	438.332	0.000794	Thiophenic compounds
1504	30	34	0	0	1	14	426.332	0.000555	Thiophenic compounds
1505	29	34	0	0	1	13	414.332	0.000986	Thiophenic compounds
1506	28	34	0	0	1	12	402.332	0.001494	Thiophenic compounds
1507	27	34	0	0	1	11	390.332	0.000875	Thiophenic compounds
1508	26	34	0	0	1	10	378.332	0.001484	Thiophenic compounds
1509	25	34	0	0	1	9	366.332	0.002694	Thiophenic compounds
1510	24	34	0	0	1	8	354.332	0.004163	Thiophenic compounds
1511	23	34	0	0	1	7	342.332	0.005937	Thiophenic compounds
1512	22	34	0	0	1	6	330.332	0.002805	Thiophenic compounds
1513	21	34	0	0	1	5	318.332	0.002417	Thiophenic compounds
1514	20	34	0	0	1	4	306.332	0.001397	Thiophenic compounds
1515	19	34	0	0	1	3	294.332	0.000706	Thiophenic compounds
1516	33	32	0	0	1	18	460.316	0.000362	Thiophenic compounds
1517	32	32	0	0	1	17	448.316	0.000271	Thiophenic compounds
1518	31	32	0	0	1	16	436.316	0.000489	Thiophenic compounds
1519	30	32	0	0	1	15	424.316	0.000233	Thiophenic compounds
1520	29	32	0	0	1	14	412.316	0.000668	Thiophenic compounds
1521	28	32	0	0	1	13	400.316	0.000953	Thiophenic compounds
1522	27	32	0	0	1	12	388.316	0.000512	Thiophenic compounds
1523	26	32	0	0	1	11	376.316	0.000834	Thiophenic compounds
1524	25	32	0	0	1	10	364.316	0.001448	Thiophenic compounds
1525	24	32	0	0	1	9	352.316	0.00223	Thiophenic compounds
1526	23	32	0	0	1	8	340.316	0.00128	Thiophenic compounds
1527	22	32	0	0	1	7	328.316	0.006563	Thiophenic compounds
1528	21	32	0	0	1	6	316.316	0.003434	Thiophenic compounds
1529	20	32	0	0	1	5	304.316	0.001695	Thiophenic compounds
1530	19	32	0	0	1	4	292.316	0.001782	Thiophenic compounds
1531	18	32	0	0	1	3	280.316	0.000464	Thiophenic compounds
1532	32	30	0	0	1	18	446.3	0.000185	Thiophenic compounds
1533	31	30	0	0	1	17	434.3	0.00026	Thiophenic compounds
1534	30	30	0	0	1	16	422.3	0.000398	Thiophenic compounds
1535	29	30	0	0	1	15	410.3	0.000733	Thiophenic compounds
1536	28	30	0	0	1	14	398.3	0.00053	Thiophenic compounds
1537	27	30	0	0	1	13	386.3	0.000964	Thiophenic compounds
1538	26	30	0	0	1	12	374.3	0.00196	Thiophenic compounds
1539	25	30	0	0	1	11	362.3	0.000552	Thiophenic compounds
1540	24	30	0	0	1	10	350.3	0.001252	Thiophenic compounds
1541	23	30	0	0	1	9	338.3	0.001921	Thiophenic compounds
1542	22	30	0	0	1	8	326.3	0.001254	Thiophenic compounds
1543	21	30	0	0	1	7	314.3	0.001818	Thiophenic compounds
1544	20	30	0	0	1	6	302.3	0.003942	Thiophenic compounds
1545	19	30	0	0	1	5	290.3	0.001492	Thiophenic compounds
1546	18	30	0	0	1	4	278.3	0.001761	Thiophenic compounds
1547	17	30	0	0	1	3	266.3	0.000398	Thiophenic compounds
1548	30	28	0	0	1	17	420.284	0.000199	Thiophenic compounds
1549	29	28	0	0	1	16	408.284	0.000598	Thiophenic compounds
1550	28	28	0	0	1	15	396.284	0.000528	Thiophenic compounds
1551	27	28	0	0	1	14	384.284	0.000565	Thiophenic compounds
1552	26	28	0	0	1	13	372.284	0.000261	Thiophenic compounds
1553	25	28	0	0	1	12	360.284	0.000425	Thiophenic compounds
1554	24	28	0	0	1	11	348.284	0.000528	Thiophenic compounds
1555	23	28	0	0	1	10	336.284	0.001072	Thiophenic compounds
1556	22	28	0	0	1	9	324.284	0.001263	Thiophenic compounds
1557	21	28	0	0	1	8	312.284	0.001441	Thiophenic compounds
1558	20	28	0	0	1	7	300.284	0.002573	Thiophenic compounds
1559	19	28	0	0	1	6	288.284	0.004426	Thiophenic compounds
1560	18	28	0	0	1	5	276.284	0.001478	Thiophenic compounds
1561	17	28	0	0	1	4	264.284	0.001083	Thiophenic compounds
1562	16	28	0	0	1	3	252.284	0.000212	Thiophenic compounds
1563	29	26	0	0	1	17	406.268	0.000148	Thiophenic compounds
1564	28	26	0	0	1	16	394.268	0.00033	Thiophenic compounds
1565	27	26	0	0	1	15	382.268	0.000434	Thiophenic compounds
1566	26	26	0	0	1	14	370.268	0.000504	Thiophenic compounds
1567	25	26	0	0	1	13	358.268	0.001174	Thiophenic compounds
1568	24	26	0	0	1	12	346.268	0.000496	Thiophenic compounds
1569	23	26	0	0	1	11	334.268	0.000612	Thiophenic compounds
1570	22	26	0	0	1	10	322.268	0.001111	Thiophenic compounds
1571	21	26	0	0	1	9	310.268	0.001786	Thiophenic compounds
1572	20	26	0	0	1	8	298.268	0.001801	Thiophenic compounds
1573	19	26	0	0	1	7	286.268	0.002973	Thiophenic compounds
1574	18	26	0	0	1	6	274.268	0.004563	Thiophenic compounds
1575	17	26	0	0	1	5	262.268	0.000886	Thiophenic compounds
1576	16	26	0	0	1	4	250.268	0.000406	Thiophenic compounds
1577	15	26	0	0	1	3	238.268	0.00019	Thiophenic compounds
1578	28	24	0	0	1	17	392.252	0.000184	Thiophenic compounds
1579	27	24	0	0	1	16	380.252	0.000248	Thiophenic compounds
1580	26	24	0	0	1	15	368.252	0.000321	Thiophenic compounds
1581	25	24	0	0	1	14	356.252	0.000597	Thiophenic compounds
1582	24	24	0	0	1	13	344.252	0.001356	Thiophenic compounds
1583	23	24	0	0	1	12	332.252	0.000414	Thiophenic compounds
1584	22	24	0	0	1	11	320.252	0.002001	Thiophenic compounds
1585	21	24	0	0	1	10	308.252	0.000878	Thiophenic compounds
1586	20	24	0	0	1	9	296.252	0.00197	Thiophenic compounds
1587	19	24	0	0	1	8	284.252	0.001882	Thiophenic compounds
1588	18	24	0	0	1	7	272.252	0.013544	Thiophenic compounds
1589	17	24	0	0	1	6	260.252	0.003041	Thiophenic compounds
1590	16	24	0	0	1	5	248.252	0.000571	Thiophenic compounds
1591	15	24	0	0	1	4	236.252	0.000323	Thiophenic compounds
1592	14	24	0	0	1	3	224.252	9.8e-05	Thiophenic compounds
1593	27	22	0	0	1	17	378.236	0.000214	Thiophenic compounds
1594	26	22	0	0	1	16	366.236	0.000339	Thiophenic compounds
1595	25	22	0	0	1	15	354.236	0.000189	Thiophenic compounds
1596	24	22	0	0	1	14	342.236	0.000366	Thiophenic compounds
1597	23	22	0	0	1	13	330.236	0.001127	Thiophenic compounds
1598	22	22	0	0	1	12	318.236	0.000423	Thiophenic compounds
1599	21	22	0	0	1	11	306.236	0.000445	Thiophenic compounds
1600	20	22	0	0	1	10	294.236	0.001453	Thiophenic compounds
1601	19	22	0	0	1	9	282.236	0.002391	Thiophenic compounds
1602	18	22	0	0	1	8	270.236	0.002334	Thiophenic compounds
1603	17	22	0	0	1	7	258.236	0.005264	Thiophenic compounds
1604	16	22	0	0	1	6	246.236	0.006381	Thiophenic compounds
1605	15	22	0	0	1	5	234.236	0.000516	Thiophenic compounds
1606	14	22	0	0	1	4	222.236	0.000146	Thiophenic compounds
1607	13	22	0	0	1	3	210.236	0.000107	Thiophenic compounds
1608	26	20	0	0	1	17	364.22	0.000183	Thiophenic compounds
1609	25	20	0	0	1	16	352.22	0.000152	Thiophenic compounds
1610	24	20	0	0	1	15	340.22	0.000204	Thiophenic compounds
1611	23	20	0	0	1	14	328.22	0.000235	Thiophenic compounds
1612	22	20	0	0	1	13	316.22	0.000797	Thiophenic compounds
1613	21	20	0	0	1	12	304.22	0.000864	Thiophenic compounds
1614	20	20	0	0	1	11	292.22	0.001569	Thiophenic compounds
1615	19	20	0	0	1	10	280.22	0.00575	Thiophenic compounds
1616	18	20	0	0	1	9	268.22	0.006037	Thiophenic compounds
1617	17	20	0	0	1	8	256.22	0.001429	Thiophenic compounds
1618	16	20	0	0	1	7	244.22	0.001792	Thiophenic compounds
1619	15	20	0	0	1	6	232.22	0.001216	Thiophenic compounds
1620	14	20	0	0	1	5	220.22	0.000212	Thiophenic compounds
1621	13	20	0	0	1	4	208.22	0.000174	Thiophenic compounds
1622	12	20	0	0	1	3	196.22	5.3e-05	Thiophenic compounds
1623	25	18	0	0	1	17	350.204	0.000123	Thiophenic compounds
1624	24	18	0	0	1	16	338.204	0.000148	Thiophenic compounds
1625	23	18	0	0	1	15	326.204	0.000116	Thiophenic compounds
1626	22	18	0	0	1	14	314.204	0.000174	Thiophenic compounds
1627	21	18	0	0	1	13	302.204	0.000544	Thiophenic compounds
1628	20	18	0	0	1	12	290.204	0.002965	Thiophenic compounds
1629	19	18	0	0	1	11	278.204	0.001306	Thiophenic compounds
1630	18	18	0	0	1	10	266.204	0.00618	Thiophenic compounds
1631	17	18	0	0	1	9	254.204	0.035632	Thiophenic compounds
1632	16	18	0	0	1	8	242.204	0.001949	Thiophenic compounds
1633	15	18	0	0	1	7	230.204	0.00295	Thiophenic compounds
1634	14	18	0	0	1	6	218.204	0.000792	Thiophenic compounds
1635	13	18	0	0	1	5	206.204	9.4e-05	Thiophenic compounds
1636	12	18	0	0	1	4	194.204	0.000356	Thiophenic compounds
1637	22	16	0	0	1	15	312.188	0.00013	Thiophenic compounds
1638	21	16	0	0	1	14	300.188	0.000201	Thiophenic compounds
1639	20	16	0	0	1	13	288.188	0.000211	Thiophenic compounds
1640	19	16	0	0	1	12	276.188	0.002487	Thiophenic compounds
1641	18	16	0	0	1	11	264.188	0.000927	Thiophenic compounds
1642	17	16	0	0	1	10	252.188	0.006514	Thiophenic compounds
1643	16	16	0	0	1	9	240.188	0.044317	Thiophenic compounds
1644	15	16	0	0	1	8	228.188	0.000456	Thiophenic compounds
1645	14	16	0	0	1	7	216.188	0.000356	Thiophenic compounds
1646	13	16	0	0	1	6	204.188	0.001114	Thiophenic compounds
1647	11	16	0	0	1	4	180.188	3.7e-05	Thiophenic compounds
1648	23	14	0	0	1	17	322.172	0.000122	Thiophenic compounds
1649	20	14	0	0	1	14	286.172	0.000105	Thiophenic compounds
1650	19	14	0	0	1	13	274.172	0.000189	Thiophenic compounds
1651	18	14	0	0	1	12	262.172	0.001434	Thiophenic compounds
1652	17	14	0	0	1	11	250.172	0.000722	Thiophenic compounds
1653	16	14	0	0	1	10	238.172	0.003768	Thiophenic compounds
1654	15	14	0	0	1	9	226.172	0.01082	Thiophenic compounds
1655	14	14	0	0	1	8	214.172	0.000229	Thiophenic compounds
1656	13	14	0	0	1	7	202.172	0.000464	Thiophenic compounds
1657	12	14	0	0	1	6	190.172	0.00048	Thiophenic compounds
1658	11	14	0	0	1	5	178.172	3.6e-05	Thiophenic compounds
1659	19	12	0	0	1	14	272.156	9.1e-05	Thiophenic compounds
1660	18	12	0	0	1	13	260.156	0.000136	Thiophenic compounds
1661	17	12	0	0	1	12	248.156	0.000926	Thiophenic compounds
1662	16	12	0	0	1	11	236.156	0.000448	Thiophenic compounds
1663	15	12	0	0	1	10	224.156	0.000491	Thiophenic compounds
1664	14	12	0	0	1	9	212.156	0.008244	Thiophenic compounds
1665	13	12	0	0	1	8	200.156	0.000131	Thiophenic compounds
1666	12	12	0	0	1	7	188.156	0.0002	Thiophenic compounds
1667	11	12	0	0	1	6	176.156	5.8e-05	Thiophenic compounds
1668	17	10	0	0	1	13	246.14	6.7e-05	Thiophenic compounds
1669	16	10	0	0	1	12	234.14	0.000545	Thiophenic compounds
1670	15	10	0	0	1	11	222.14	0.000279	Thiophenic compounds
1671	14	10	0	0	1	10	210.14	0.000776	Thiophenic compounds
1672	13	10	0	0	1	9	198.14	0.008012	Thiophenic compounds
1673	12	10	0	0	1	8	186.14	4.3e-05	Thiophenic compounds
1674	11	10	0	0	1	7	174.14	4.5e-05	Thiophenic compounds
1675	12	10	0	0	1	8	186.14	3.7e-05	Sulfidic compounds
1676	13	10	0	0	1	9	198.14	0.000119	Sulfidic compounds
1677	14	10	0	0	1	10	210.14	0.000191	Sulfidic compounds
1678	15	10	0	0	1	11	222.14	8.8e-05	Sulfidic compounds
1679	16	10	0	0	1	12	234.14	6.3e-05	Sulfidic compounds
1680	17	10	0	0	1	13	246.14	3.5e-05	Sulfidic compounds
1681	11	12	0	0	2	6	208.216	2.8e-05	Sulfidic compounds
1682	13	12	0	0	1	8	200.156	7.7e-05	Sulfidic compounds
1683	14	12	0	0	1	9	212.156	0.000202	Sulfidic compounds
1684	15	12	0	0	1	10	224.156	0.000504	Sulfidic compounds
1685	16	12	0	0	1	11	236.156	0.000306	Sulfidic compounds
1686	17	12	0	0	1	12	248.156	0.000168	Sulfidic compounds
1687	18	12	0	0	1	13	260.156	5.1e-05	Sulfidic compounds
1688	19	12	0	0	1	14	272.156	0.000159	Sulfidic compounds
1689	20	12	0	0	1	15	284.156	0.000214	Sulfidic compounds
1690	11	14	0	0	2	5	210.232	3.3e-05	Sulfidic compounds
1691	13	14	0	0	1	7	202.172	0.00012	Sulfidic compounds
1692	14	14	0	0	1	8	214.172	0.00021	Sulfidic compounds
1693	15	14	0	0	1	9	226.172	0.000438	Sulfidic compounds
1694	16	14	0	0	1	10	238.172	0.00084	Sulfidic compounds
1695	17	14	0	0	1	11	250.172	0.000717	Sulfidic compounds
1696	18	14	0	0	1	12	262.172	0.00044	Sulfidic compounds
1697	20	14	0	0	1	14	286.172	0.000157	Sulfidic compounds
1698	21	14	0	0	1	15	298.172	0.00024	Sulfidic compounds
1699	12	16	0	0	1	5	192.188	2.8e-05	Sulfidic compounds
1700	13	16	0	0	1	6	204.188	2.8e-05	Sulfidic compounds
1701	14	16	0	0	1	7	216.188	7.9e-05	Sulfidic compounds
1702	14	16	0	0	2	7	248.248	4.1e-05	Sulfidic compounds
1703	15	16	0	0	1	8	228.188	0.000283	Sulfidic compounds
1704	16	16	0	0	1	9	240.188	0.000765	Sulfidic compounds
1705	17	16	0	0	1	10	252.188	0.000554	Sulfidic compounds
1706	18	16	0	0	1	11	264.188	0.000914	Sulfidic compounds
1707	19	16	0	0	1	12	276.188	0.000341	Sulfidic compounds
1708	20	16	0	0	1	13	288.188	0.000129	Sulfidic compounds
1709	21	16	0	0	1	14	300.188	0.000244	Sulfidic compounds
1710	22	16	0	0	1	15	312.188	0.000179	Sulfidic compounds
1711	12	18	0	0	1	4	194.204	3.6e-05	Sulfidic compounds
1712	13	18	0	0	1	5	206.204	3.3e-05	Sulfidic compounds
1713	13	18	0	0	2	5	238.264	3.2e-05	Sulfidic compounds
1714	14	18	0	0	1	6	218.204	3.5e-05	Sulfidic compounds
1715	15	18	0	0	1	7	230.204	0.000121	Sulfidic compounds
1716	16	18	0	0	1	8	242.204	0.000349	Sulfidic compounds
1717	17	18	0	0	1	9	254.204	0.001632	Sulfidic compounds
1718	18	18	0	0	1	10	266.204	0.000895	Sulfidic compounds
1719	19	18	0	0	1	11	278.204	0.001148	Sulfidic compounds
1720	20	18	0	0	1	12	290.204	0.00041	Sulfidic compounds
1721	21	18	0	0	1	13	302.204	0.000208	Sulfidic compounds
1722	22	18	0	0	1	14	314.204	0.000111	Sulfidic compounds
1723	23	18	0	0	1	15	326.204	0.000222	Sulfidic compounds
1724	11	20	0	0	1	2	184.22	4.6e-05	Sulfidic compounds
1725	12	20	0	0	1	3	196.22	2.9e-05	Sulfidic compounds
1726	12	20	0	0	2	3	228.28	4.2e-05	Sulfidic compounds
1727	13	20	0	0	1	4	208.22	3.1e-05	Sulfidic compounds
1728	13	20	0	0	2	4	240.28	4.8e-05	Sulfidic compounds
1729	14	20	0	0	1	5	220.22	4.8e-05	Sulfidic compounds
1730	15	20	0	0	1	6	232.22	0.000102	Sulfidic compounds
1731	16	20	0	0	1	7	244.22	0.00019	Sulfidic compounds
1732	17	20	0	0	1	8	256.22	5.1e-05	Sulfidic compounds
1733	18	20	0	0	1	9	268.22	0.000986	Sulfidic compounds
1734	19	20	0	0	1	10	280.22	0.001523	Sulfidic compounds
1735	20	20	0	0	1	11	292.22	0.000731	Sulfidic compounds
1736	21	20	0	0	1	12	304.22	0.000107	Sulfidic compounds
1737	22	20	0	0	1	13	316.22	0.00022	Sulfidic compounds
1738	23	20	0	0	1	14	328.22	0.000133	Sulfidic compounds
1739	24	20	0	0	1	15	340.22	0.000152	Sulfidic compounds
1740	11	22	0	0	1	1	186.236	2.4e-05	Sulfidic compounds
1741	12	22	0	0	1	2	198.236	9.6e-05	Sulfidic compounds
1742	13	22	0	0	2	3	242.296	4e-05	Sulfidic compounds
1743	14	22	0	0	1	4	222.236	3.7e-05	Sulfidic compounds
1744	15	22	0	0	1	5	234.236	9.9e-05	Sulfidic compounds
1745	15	22	0	0	2	5	266.296	6.2e-05	Sulfidic compounds
1746	16	22	0	0	1	6	246.236	0.000238	Sulfidic compounds
1747	16	22	0	0	2	6	278.296	4.5e-05	Sulfidic compounds
1748	17	22	0	0	1	7	258.236	0.000504	Sulfidic compounds
1749	18	22	0	0	1	8	270.236	0.00083	Sulfidic compounds
1750	19	22	0	0	1	9	282.236	0.000738	Sulfidic compounds
1751	20	22	0	0	1	10	294.236	0.00126	Sulfidic compounds
1752	21	22	0	0	1	11	306.236	0.000576	Sulfidic compounds
1753	22	22	0	0	1	12	318.236	0.000578	Sulfidic compounds
1754	23	22	0	0	1	13	330.236	0.000154	Sulfidic compounds
1755	24	22	0	0	1	14	342.236	8.3e-05	Sulfidic compounds
1756	25	22	0	0	1	15	354.236	0.000183	Sulfidic compounds
1757	12	24	0	0	1	1	200.252	4.3e-05	Sulfidic compounds
1758	13	24	0	0	1	2	212.252	0.000142	Sulfidic compounds
1759	13	24	0	0	2	2	244.312	0.005214	Sulfidic compounds
1760	14	24	0	0	1	3	224.252	5.7e-05	Sulfidic compounds
1761	14	24	0	0	2	3	256.312	8.8e-05	Sulfidic compounds
1762	15	24	0	0	1	4	236.252	8.1e-05	Sulfidic compounds
1763	15	24	0	0	2	4	268.312	8.7e-05	Sulfidic compounds
1764	16	24	0	0	1	5	248.252	0.000165	Sulfidic compounds
1765	17	24	0	0	1	6	260.252	0.000609	Sulfidic compounds
1766	18	24	0	0	1	7	272.252	0.001069	Sulfidic compounds
1767	19	24	0	0	1	8	284.252	0.000962	Sulfidic compounds
1768	20	24	0	0	1	9	296.252	0.00124	Sulfidic compounds
1769	21	24	0	0	1	10	308.252	0.000171	Sulfidic compounds
1770	21	24	0	0	2	10	340.312	0.000188	Sulfidic compounds
1771	22	24	0	0	1	11	320.252	0.00062	Sulfidic compounds
1772	23	24	0	0	1	12	332.252	0.000167	Sulfidic compounds
1773	24	24	0	0	1	13	344.252	0.000159	Sulfidic compounds
1774	25	24	0	0	1	14	356.252	0.000237	Sulfidic compounds
1775	25	24	0	0	2	14	388.312	0.000283	Sulfidic compounds
1776	26	24	0	0	1	15	368.252	0.000316	Sulfidic compounds
1777	27	24	0	0	2	16	412.312	0.000193	Sulfidic compounds
1778	13	26	0	0	1	1	214.268	6.9e-05	Sulfidic compounds
1779	13	26	0	0	2	1	246.328	3.4e-05	Sulfidic compounds
1780	14	26	0	0	1	2	226.268	0.000195	Sulfidic compounds
1781	15	26	0	0	1	3	238.268	0.000111	Sulfidic compounds
1782	16	26	0	0	1	4	250.268	0.000124	Sulfidic compounds
1783	17	26	0	0	1	5	262.268	0.000393	Sulfidic compounds
1784	18	26	0	0	1	6	274.268	0.001038	Sulfidic compounds
1785	19	26	0	0	1	7	286.268	0.001878	Sulfidic compounds
1786	20	26	0	0	1	8	298.268	0.000301	Sulfidic compounds
1787	21	26	0	0	1	9	310.268	0.000268	Sulfidic compounds
1788	22	26	0	0	1	10	322.268	0.000652	Sulfidic compounds
1789	23	26	0	0	1	11	334.268	0.000533	Sulfidic compounds
1790	24	26	0	0	1	12	346.268	0.000389	Sulfidic compounds
1791	25	26	0	0	1	13	358.268	0.000185	Sulfidic compounds
1792	26	26	0	0	1	14	370.268	0.000213	Sulfidic compounds
1793	27	26	0	0	2	15	414.328	0.000306	Sulfidic compounds
1794	29	26	0	0	2	17	438.328	0.000121	Sulfidic compounds
1795	14	28	0	0	1	1	228.284	0.000112	Sulfidic compounds
1796	14	28	0	0	2	1	260.344	4.5e-05	Sulfidic compounds
1797	15	28	0	0	1	2	240.284	0.000292	Sulfidic compounds
1798	16	28	0	0	1	3	252.284	0.000177	Sulfidic compounds
1799	17	28	0	0	1	4	264.284	0.000219	Sulfidic compounds
1800	18	28	0	0	1	5	276.284	0.000621	Sulfidic compounds
1801	19	28	0	0	1	6	288.284	0.001745	Sulfidic compounds
1802	20	28	0	0	1	7	300.284	0.003134	Sulfidic compounds
1803	21	28	0	0	1	8	312.284	0.000295	Sulfidic compounds
1804	22	28	0	0	1	9	324.284	0.000981	Sulfidic compounds
1805	23	28	0	0	1	10	336.284	0.000832	Sulfidic compounds
1806	23	28	0	0	2	10	368.344	0.000224	Sulfidic compounds
1807	24	28	0	0	1	11	348.284	0.000392	Sulfidic compounds
1808	25	28	0	0	1	12	360.284	0.000239	Sulfidic compounds
1809	26	28	0	0	2	13	404.344	0.000771	Sulfidic compounds
1810	27	28	0	0	1	14	384.284	0.000133	Sulfidic compounds
1811	27	28	0	0	2	14	416.344	0.000542	Sulfidic compounds
1812	28	28	0	0	1	15	396.284	0.000122	Sulfidic compounds
1813	28	28	0	0	2	15	428.344	0.000131	Sulfidic compounds
1814	29	28	0	0	2	16	440.344	0.000422	Sulfidic compounds
1815	30	28	0	0	2	17	452.344	0.000186	Sulfidic compounds
1816	15	30	0	0	1	1	242.3	0.000163	Sulfidic compounds
1817	16	30	0	0	1	2	254.3	0.000378	Sulfidic compounds
1818	16	30	0	0	2	2	286.36	0.00011	Sulfidic compounds
1819	17	30	0	0	1	3	266.3	0.000319	Sulfidic compounds
1820	18	30	0	0	1	4	278.3	0.000665	Sulfidic compounds
1821	19	30	0	0	1	5	290.3	0.001327	Sulfidic compounds
1822	20	30	0	0	1	6	302.3	0.002708	Sulfidic compounds
1823	21	30	0	0	1	7	314.3	0.002855	Sulfidic compounds
1824	22	30	0	0	1	8	326.3	0.001271	Sulfidic compounds
1825	23	30	0	0	1	9	338.3	0.000217	Sulfidic compounds
1826	24	30	0	0	1	10	350.3	0.000695	Sulfidic compounds
1827	25	30	0	0	1	11	362.3	0.000396	Sulfidic compounds
1828	26	30	0	0	1	12	374.3	0.000159	Sulfidic compounds
1829	27	30	0	0	1	13	386.3	9.3e-05	Sulfidic compounds
1830	27	30	0	0	2	13	418.36	0.000335	Sulfidic compounds
1831	28	30	0	0	1	14	398.3	0.000255	Sulfidic compounds
1832	28	30	0	0	2	14	430.36	0.000291	Sulfidic compounds
1833	29	30	0	0	2	15	442.36	0.000255	Sulfidic compounds
1834	30	30	0	0	2	16	454.36	0.000212	Sulfidic compounds
1835	31	30	0	0	2	17	466.36	0.000224	Sulfidic compounds
1836	32	30	0	0	2	18	478.36	0.000152	Sulfidic compounds
1837	33	30	0	0	2	19	490.36	0.000131	Sulfidic compounds
1838	16	32	0	0	1	1	256.316	0.000255	Sulfidic compounds
1839	16	32	0	0	2	1	288.376	7.3e-05	Sulfidic compounds
1840	17	32	0	0	1	2	268.316	0.000573	Sulfidic compounds
1841	17	32	0	0	2	2	300.376	0.000125	Sulfidic compounds
1842	18	32	0	0	1	3	280.316	0.000252	Sulfidic compounds
1843	19	32	0	0	1	4	292.316	0.000398	Sulfidic compounds
1844	20	32	0	0	1	5	304.316	0.000655	Sulfidic compounds
1845	21	32	0	0	1	6	316.316	0.000712	Sulfidic compounds
1846	22	32	0	0	1	7	328.316	0.002446	Sulfidic compounds
1847	23	32	0	0	1	8	340.316	0.001251	Sulfidic compounds
1848	24	32	0	0	1	9	352.316	0.00116	Sulfidic compounds
1849	25	32	0	0	1	10	364.316	0.000716	Sulfidic compounds
1850	26	32	0	0	1	11	376.316	0.000377	Sulfidic compounds
1851	27	32	0	0	1	12	388.316	0.00049	Sulfidic compounds
1852	27	32	0	0	2	12	420.376	0.000134	Sulfidic compounds
1853	28	32	0	0	2	13	432.376	0.000191	Sulfidic compounds
1854	29	32	0	0	1	14	412.316	0.000602	Sulfidic compounds
1855	29	32	0	0	2	14	444.376	0.000535	Sulfidic compounds
1856	30	32	0	0	1	15	424.316	0.000164	Sulfidic compounds
1857	30	32	0	0	2	15	456.376	0.000556	Sulfidic compounds
1858	31	32	0	0	2	16	468.376	0.00021	Sulfidic compounds
1859	32	32	0	0	2	17	480.376	0.000399	Sulfidic compounds
1860	33	32	0	0	2	18	492.376	0.000173	Sulfidic compounds
1861	17	34	0	0	1	1	270.332	0.000413	Sulfidic compounds
1862	18	34	0	0	1	2	282.332	0.000887	Sulfidic compounds
1863	18	34	0	0	2	2	314.392	8.3e-05	Sulfidic compounds
1864	19	34	0	0	1	3	294.332	0.000549	Sulfidic compounds
1865	20	34	0	0	1	4	306.332	0.003907	Sulfidic compounds
1866	21	34	0	0	1	5	318.332	0.000637	Sulfidic compounds
1867	22	34	0	0	1	6	330.332	0.000721	Sulfidic compounds
1868	23	34	0	0	1	7	342.332	0.001786	Sulfidic compounds
1869	24	34	0	0	1	8	354.332	0.001009	Sulfidic compounds
1870	25	34	0	0	1	9	366.332	0.000979	Sulfidic compounds
1871	25	34	0	0	2	9	398.392	0.000162	Sulfidic compounds
1872	26	34	0	0	1	10	378.332	0.000725	Sulfidic compounds
1873	27	34	0	0	1	11	390.332	0.000311	Sulfidic compounds
1874	28	34	0	0	1	12	402.332	0.000182	Sulfidic compounds
1875	28	34	0	0	2	12	434.392	0.000152	Sulfidic compounds
1876	29	34	0	0	1	13	414.332	0.000536	Sulfidic compounds
1877	29	34	0	0	2	13	446.392	0.000143	Sulfidic compounds
1878	30	34	0	0	2	14	458.392	0.000794	Sulfidic compounds
1879	31	34	0	0	2	15	470.392	0.000269	Sulfidic compounds
1880	32	34	0	0	2	16	482.392	0.000216	Sulfidic compounds
1881	33	34	0	0	2	17	494.392	0.000134	Sulfidic compounds
1882	34	34	0	0	2	18	506.392	0.000118	Sulfidic compounds
1883	18	36	0	0	1	1	284.348	0.000153	Sulfidic compounds
1884	18	36	0	0	2	1	316.408	9.5e-05	Sulfidic compounds
1885	19	36	0	0	1	2	296.348	0.000391	Sulfidic compounds
1886	20	36	0	0	1	3	308.348	0.003941	Sulfidic compounds
1887	21	36	0	0	1	4	320.348	0.000802	Sulfidic compounds
1888	22	36	0	0	1	5	332.348	0.003178	Sulfidic compounds
1889	23	36	0	0	1	6	344.348	0.002499	Sulfidic compounds
1890	24	36	0	0	1	7	356.348	0.001479	Sulfidic compounds
1891	25	36	0	0	1	8	368.348	0.000784	Sulfidic compounds
1892	25	36	0	0	2	8	400.408	9.7e-05	Sulfidic compounds
1893	26	36	0	0	1	9	380.348	0.000984	Sulfidic compounds
1894	27	36	0	0	1	10	392.348	0.00072	Sulfidic compounds
1895	27	36	0	0	2	10	424.408	0.000109	Sulfidic compounds
1896	28	36	0	0	1	11	404.348	0.000349	Sulfidic compounds
1897	28	36	0	0	2	11	436.408	0.00012	Sulfidic compounds
1898	29	36	0	0	1	12	416.348	0.00017	Sulfidic compounds
1899	30	36	0	0	2	13	460.408	0.000883	Sulfidic compounds
1900	31	36	0	0	2	14	472.408	0.000304	Sulfidic compounds
1901	32	36	0	0	2	15	484.408	0.001443	Sulfidic compounds
1902	36	36	0	0	2	19	532.408	0.000133	Sulfidic compounds
1903	19	38	0	0	1	1	298.364	0.001026	Sulfidic compounds
1904	20	38	0	0	1	2	310.364	0.000505	Sulfidic compounds
1905	20	38	0	0	2	2	342.424	7.7e-05	Sulfidic compounds
1906	21	38	0	0	1	3	322.364	0.001079	Sulfidic compounds
1907	22	38	0	0	1	4	334.364	0.000985	Sulfidic compounds
1908	23	38	0	0	1	5	346.364	0.002618	Sulfidic compounds
1909	23	38	0	0	2	5	378.424	0.000111	Sulfidic compounds
1910	24	38	0	0	1	6	358.364	0.001831	Sulfidic compounds
1911	25	38	0	0	1	7	370.364	0.001481	Sulfidic compounds
1912	25	38	0	0	2	7	402.424	0.00016	Sulfidic compounds
1913	26	38	0	0	1	8	382.364	0.000774	Sulfidic compounds
1914	27	38	0	0	1	9	394.364	0.00036	Sulfidic compounds
1915	28	38	0	0	1	10	406.364	0.000592	Sulfidic compounds
1916	28	38	0	0	2	10	438.424	0.000115	Sulfidic compounds
1917	29	38	0	0	1	11	418.364	0.000285	Sulfidic compounds
1918	29	38	0	0	2	11	450.424	0.000143	Sulfidic compounds
1919	30	38	0	0	1	12	430.364	0.00016	Sulfidic compounds
1920	31	38	0	0	1	13	442.364	0.000136	Sulfidic compounds
1921	31	38	0	0	2	13	474.424	0.000252	Sulfidic compounds
1922	32	38	0	0	2	14	486.424	0.000167	Sulfidic compounds
1923	34	38	0	0	2	16	510.424	0.000273	Sulfidic compounds
1924	20	40	0	0	1	1	312.38	0.000335	Sulfidic compounds
1925	20	40	0	0	2	1	344.44	7.7e-05	Sulfidic compounds
1926	21	40	0	0	1	2	324.38	0.002404	Sulfidic compounds
1927	22	40	0	0	1	3	336.38	0.004113	Sulfidic compounds
1928	23	40	0	0	1	4	348.38	0.003147	Sulfidic compounds
1929	24	40	0	0	1	5	360.38	0.002095	Sulfidic compounds
1930	25	40	0	0	1	6	372.38	0.001365	Sulfidic compounds
1931	26	40	0	0	1	7	384.38	0.000904	Sulfidic compounds
1932	26	40	0	0	2	7	416.44	0.000268	Sulfidic compounds
1933	27	40	0	0	1	8	396.38	0.000713	Sulfidic compounds
1934	27	40	0	0	2	8	428.44	0.000153	Sulfidic compounds
1935	28	40	0	0	1	9	408.38	0.000722	Sulfidic compounds
1936	28	40	0	0	2	9	440.44	0.000116	Sulfidic compounds
1937	29	40	0	0	1	10	420.38	0.00062	Sulfidic compounds
1938	30	40	0	0	1	11	432.38	0.000239	Sulfidic compounds
1939	30	40	0	0	2	11	464.44	0.000169	Sulfidic compounds
1940	32	40	0	0	2	13	488.44	0.000106	Sulfidic compounds
1941	35	40	0	0	2	16	524.44	0.000377	Sulfidic compounds
1942	36	40	0	0	2	17	536.44	0.000104	Sulfidic compounds
1943	21	42	0	0	1	1	326.396	0.00149	Sulfidic compounds
1944	22	42	0	0	1	2	338.396	0.002442	Sulfidic compounds
1945	23	42	0	0	1	3	350.396	0.003164	Sulfidic compounds
1946	24	42	0	0	1	4	362.396	0.002517	Sulfidic compounds
1947	25	42	0	0	1	5	374.396	0.001658	Sulfidic compounds
1948	25	42	0	0	2	5	406.456	0.000348	Sulfidic compounds
1949	26	42	0	0	1	6	386.396	0.001109	Sulfidic compounds
1950	27	42	0	0	1	7	398.396	0.000986	Sulfidic compounds
1951	27	42	0	0	2	7	430.456	0.000305	Sulfidic compounds
1952	28	42	0	0	1	8	410.396	0.000529	Sulfidic compounds
1953	28	42	0	0	2	8	442.456	0.000186	Sulfidic compounds
1954	29	42	0	0	1	9	422.396	0.000679	Sulfidic compounds
1955	29	42	0	0	2	9	454.456	0.000147	Sulfidic compounds
1956	30	42	0	0	1	10	434.396	0.000387	Sulfidic compounds
1957	30	42	0	0	2	10	466.456	0.00018	Sulfidic compounds
1958	31	42	0	0	1	11	446.396	0.000312	Sulfidic compounds
1959	31	42	0	0	2	11	478.456	0.000172	Sulfidic compounds
1960	32	42	0	0	2	12	490.456	0.000117	Sulfidic compounds
1961	33	42	0	0	1	13	470.396	0.000141	Sulfidic compounds
1962	33	42	0	0	2	13	502.456	0.000126	Sulfidic compounds
1963	34	42	0	0	2	14	514.456	0.000151	Sulfidic compounds
1964	35	42	0	0	2	15	526.456	0.000165	Sulfidic compounds
1965	36	42	0	0	2	16	538.456	0.000327	Sulfidic compounds
1966	22	44	0	0	1	1	340.412	0.001296	Sulfidic compounds
1967	23	44	0	0	1	2	352.412	0.001809	Sulfidic compounds
1968	24	44	0	0	1	3	364.412	0.002347	Sulfidic compounds
1969	25	44	0	0	1	4	376.412	0.00171	Sulfidic compounds
1970	26	44	0	0	1	5	388.412	0.001263	Sulfidic compounds
1971	27	44	0	0	1	6	400.412	0.001037	Sulfidic compounds
1972	28	44	0	0	1	7	412.412	0.000636	Sulfidic compounds
1973	28	44	0	0	2	7	444.472	0.000441	Sulfidic compounds
1974	29	44	0	0	1	8	424.412	0.000535	Sulfidic compounds
1975	29	44	0	0	2	8	456.472	0.000288	Sulfidic compounds
1976	30	44	0	0	1	9	436.412	0.000531	Sulfidic compounds
1977	30	44	0	0	2	9	468.472	0.000154	Sulfidic compounds
1978	31	44	0	0	1	10	448.412	0.000454	Sulfidic compounds
1979	31	44	0	0	2	10	480.472	0.000146	Sulfidic compounds
1980	32	44	0	0	1	11	460.412	0.000239	Sulfidic compounds
1981	35	44	0	0	2	14	528.472	0.000103	Sulfidic compounds
1982	37	44	0	0	2	16	552.472	0.000143	Sulfidic compounds
1983	23	46	0	0	1	1	354.428	0.001079	Sulfidic compounds
1984	24	46	0	0	1	2	366.428	0.001498	Sulfidic compounds
1985	25	46	0	0	1	3	378.428	0.00154	Sulfidic compounds
1986	26	46	0	0	1	4	390.428	0.00142	Sulfidic compounds
1987	27	46	0	0	1	5	402.428	0.001143	Sulfidic compounds
1988	28	46	0	0	1	6	414.428	0.00086	Sulfidic compounds
1989	29	46	0	0	1	7	426.428	0.000598	Sulfidic compounds
1990	29	46	0	0	2	7	458.488	0.000515	Sulfidic compounds
1991	30	46	0	0	1	8	438.428	0.00045	Sulfidic compounds
1992	30	46	0	0	2	8	470.488	0.00034	Sulfidic compounds
1993	31	46	0	0	1	9	450.428	0.000501	Sulfidic compounds
1994	31	46	0	0	2	9	482.488	0.000201	Sulfidic compounds
1995	32	46	0	0	1	10	462.428	0.000401	Sulfidic compounds
1996	32	46	0	0	2	10	494.488	0.000177	Sulfidic compounds
1997	33	46	0	0	1	11	474.428	0.000273	Sulfidic compounds
1998	34	46	0	0	1	12	486.428	0.000126	Sulfidic compounds
1999	34	46	0	0	2	12	518.488	0.000124	Sulfidic compounds
2000	36	46	0	0	2	14	542.488	0.000117	Sulfidic compounds
2001	38	46	0	0	2	16	566.488	0.000247	Sulfidic compounds
2002	24	48	0	0	1	1	368.444	0.000983	Sulfidic compounds
2003	25	48	0	0	1	2	380.444	0.001203	Sulfidic compounds
2004	26	48	0	0	1	3	392.444	0.001232	Sulfidic compounds
2005	27	48	0	0	1	4	404.444	0.001093	Sulfidic compounds
2006	28	48	0	0	1	5	416.444	0.001039	Sulfidic compounds
2007	29	48	0	0	1	6	428.444	0.000823	Sulfidic compounds
2008	30	48	0	0	1	7	440.444	0.000516	Sulfidic compounds
2009	30	48	0	0	2	7	472.504	0.000453	Sulfidic compounds
2010	31	48	0	0	1	8	452.444	0.000405	Sulfidic compounds
2011	31	48	0	0	2	8	484.504	0.000285	Sulfidic compounds
2012	32	48	0	0	1	9	464.444	0.000416	Sulfidic compounds
2013	32	48	0	0	2	9	496.504	0.000163	Sulfidic compounds
2014	33	48	0	0	1	10	476.444	0.000309	Sulfidic compounds
2015	34	48	0	0	1	11	488.444	0.000156	Sulfidic compounds
2016	34	48	0	0	2	11	520.504	0.000141	Sulfidic compounds
2017	35	48	0	0	2	12	532.504	9.9e-05	Sulfidic compounds
2018	39	48	0	0	2	16	580.504	0.000116	Sulfidic compounds
2019	25	50	0	0	1	1	382.46	0.00083	Sulfidic compounds
2020	27	50	0	0	1	3	406.46	0.001028	Sulfidic compounds
2021	28	50	0	0	1	4	418.46	0.000998	Sulfidic compounds
2022	29	50	0	0	1	5	430.46	0.000932	Sulfidic compounds
2023	30	50	0	0	1	6	442.46	0.000726	Sulfidic compounds
2024	31	50	0	0	1	7	454.46	0.000461	Sulfidic compounds
2025	31	50	0	0	2	7	486.52	0.000391	Sulfidic compounds
2026	32	50	0	0	1	8	466.46	0.000356	Sulfidic compounds
2027	32	50	0	0	2	8	498.52	0.000278	Sulfidic compounds
2028	33	50	0	0	1	9	478.46	0.000398	Sulfidic compounds
2029	34	50	0	0	1	10	490.46	0.000218	Sulfidic compounds
2030	34	50	0	0	2	10	522.52	0.000108	Sulfidic compounds
2031	35	50	0	0	1	11	502.46	0.000162	Sulfidic compounds
2032	36	50	0	0	1	12	514.46	0.000115	Sulfidic compounds
2033	36	50	0	0	2	12	546.52	9.7e-05	Sulfidic compounds
2034	40	50	0	0	2	16	594.52	0.000278	Sulfidic compounds
2035	26	52	0	0	1	1	396.476	0.000673	Sulfidic compounds
2036	27	52	0	0	1	2	408.476	0.000843	Sulfidic compounds
2037	28	52	0	0	1	3	420.476	0.000919	Sulfidic compounds
2038	29	52	0	0	1	4	432.476	0.000774	Sulfidic compounds
2039	30	52	0	0	1	5	444.476	0.000785	Sulfidic compounds
2040	31	52	0	0	1	6	456.476	0.000566	Sulfidic compounds
2041	32	52	0	0	1	7	468.476	0.000388	Sulfidic compounds
2042	32	52	0	0	2	7	500.536	0.000344	Sulfidic compounds
2043	33	52	0	0	1	8	480.476	0.000274	Sulfidic compounds
2044	33	52	0	0	2	8	512.536	0.000199	Sulfidic compounds
2045	34	52	0	0	1	9	492.476	0.000368	Sulfidic compounds
2046	34	52	0	0	2	9	524.536	0.00016	Sulfidic compounds
2047	35	52	0	0	1	10	504.476	0.00031	Sulfidic compounds
2048	36	52	0	0	1	11	516.476	0.000106	Sulfidic compounds
2049	37	52	0	0	1	12	528.476	0.00019	Sulfidic compounds
2050	41	52	0	0	2	16	608.536	0.000114	Sulfidic compounds
2051	27	54	0	0	1	1	410.492	0.000673	Sulfidic compounds
2052	28	54	0	0	1	2	422.492	0.000688	Sulfidic compounds
2053	29	54	0	0	1	3	434.492	0.00063	Sulfidic compounds
2054	30	54	0	0	1	4	446.492	0.000683	Sulfidic compounds
2055	31	54	0	0	1	5	458.492	0.000715	Sulfidic compounds
2056	32	54	0	0	1	6	470.492	0.000516	Sulfidic compounds
2057	33	54	0	0	1	7	482.492	0.00031	Sulfidic compounds
2058	33	54	0	0	2	7	514.552	0.000264	Sulfidic compounds
2059	34	54	0	0	1	8	494.492	0.000252	Sulfidic compounds
2060	34	54	0	0	2	8	526.552	0.0002	Sulfidic compounds
2061	35	54	0	0	1	9	506.492	0.000408	Sulfidic compounds
2062	35	54	0	0	2	9	538.552	0.000153	Sulfidic compounds
2063	36	54	0	0	1	10	518.492	0.000274	Sulfidic compounds
2064	36	54	0	0	2	10	550.552	0.000119	Sulfidic compounds
2065	37	54	0	0	2	11	562.552	0.000134	Sulfidic compounds
2066	38	54	0	0	1	12	542.492	0.000176	Sulfidic compounds
2067	42	54	0	0	2	16	622.552	0.000145	Sulfidic compounds
2068	28	56	0	0	1	1	424.508	0.000526	Sulfidic compounds
2069	29	56	0	0	1	2	436.508	0.000635	Sulfidic compounds
2070	30	56	0	0	1	3	448.508	0.000586	Sulfidic compounds
2071	31	56	0	0	1	4	460.508	0.000537	Sulfidic compounds
2072	32	56	0	0	1	5	472.508	0.000562	Sulfidic compounds
2073	33	56	0	0	1	6	484.508	0.000422	Sulfidic compounds
2074	34	56	0	0	1	7	496.508	0.000264	Sulfidic compounds
2075	34	56	0	0	2	7	528.568	0.00019	Sulfidic compounds
2076	35	56	0	0	1	8	508.508	0.000239	Sulfidic compounds
2077	36	56	0	0	1	9	520.508	0.000441	Sulfidic compounds
2078	37	56	0	0	1	10	532.508	0.000326	Sulfidic compounds
2079	38	56	0	0	1	11	544.508	0.000157	Sulfidic compounds
2080	39	56	0	0	1	12	556.508	0.000126	Sulfidic compounds
2081	29	58	0	0	1	1	438.524	0.000508	Sulfidic compounds
2082	30	58	0	0	1	2	450.524	0.000532	Sulfidic compounds
2083	31	58	0	0	1	3	462.524	0.000463	Sulfidic compounds
2084	32	58	0	0	1	4	474.524	0.000422	Sulfidic compounds
2085	33	58	0	0	1	5	486.524	0.000434	Sulfidic compounds
2086	34	58	0	0	1	6	498.524	0.000339	Sulfidic compounds
2087	35	58	0	0	1	7	510.524	0.000244	Sulfidic compounds
2088	35	58	0	0	2	7	542.584	0.000176	Sulfidic compounds
2089	36	58	0	0	1	8	522.524	0.000119	Sulfidic compounds
2090	37	58	0	0	1	9	534.524	0.000547	Sulfidic compounds
2091	38	58	0	0	1	10	546.524	0.000376	Sulfidic compounds
2092	30	60	0	0	1	1	452.54	0.000365	Sulfidic compounds
2093	31	60	0	0	1	2	464.54	0.00044	Sulfidic compounds
2094	32	60	0	0	1	3	476.54	0.000356	Sulfidic compounds
2095	33	60	0	0	1	4	488.54	0.000297	Sulfidic compounds
2096	34	60	0	0	1	5	500.54	0.000286	Sulfidic compounds
2097	35	60	0	0	1	6	512.54	0.000289	Sulfidic compounds
2098	36	60	0	0	1	7	524.54	0.000139	Sulfidic compounds
2099	36	60	0	0	2	7	556.6	0.000126	Sulfidic compounds
2100	37	60	0	0	1	8	536.54	0.000138	Sulfidic compounds
2101	38	60	0	0	1	9	548.54	0.000698	Sulfidic compounds
2102	39	60	0	0	1	10	560.54	0.000289	Sulfidic compounds
2103	40	60	0	0	1	11	572.54	0.000214	Sulfidic compounds
2104	31	62	0	0	1	1	466.556	0.000311	Sulfidic compounds
2105	32	62	0	0	1	2	478.556	0.000385	Sulfidic compounds
2106	33	62	0	0	1	3	490.556	0.000272	Sulfidic compounds
2107	34	62	0	0	1	4	502.556	0.000256	Sulfidic compounds
2108	35	62	0	0	1	5	514.556	0.000226	Sulfidic compounds
2109	36	62	0	0	1	6	526.556	0.000179	Sulfidic compounds
2110	37	62	0	0	1	7	538.556	0.000155	Sulfidic compounds
2111	38	62	0	0	1	8	550.556	9.8e-05	Sulfidic compounds
2112	39	62	0	0	1	9	562.556	0.000457	Sulfidic compounds
2113	40	62	0	0	1	10	574.556	0.000354	Sulfidic compounds
2114	41	62	0	0	1	11	586.556	0.000112	Sulfidic compounds
2115	32	64	0	0	1	1	480.572	0.000217	Sulfidic compounds
2116	33	64	0	0	1	2	492.572	0.000226	Sulfidic compounds
2117	35	64	0	0	1	4	516.572	0.000167	Sulfidic compounds
2118	36	64	0	0	1	5	528.572	0.000219	Sulfidic compounds
2119	37	64	0	0	1	6	540.572	0.000228	Sulfidic compounds
2120	39	64	0	0	1	8	564.572	0.000101	Sulfidic compounds
2121	40	64	0	0	1	9	576.572	0.000511	Sulfidic compounds
2122	41	64	0	0	1	10	588.572	0.000166	Sulfidic compounds
2123	33	66	0	0	1	1	494.588	0.000169	Sulfidic compounds
2124	34	66	0	0	1	2	506.588	0.000204	Sulfidic compounds
2125	36	66	0	0	1	4	530.588	0.000102	Sulfidic compounds
2126	37	66	0	0	1	5	542.588	0.000103	Sulfidic compounds
2127	38	66	0	0	1	6	554.588	0.000166	Sulfidic compounds
2128	41	66	0	0	1	9	590.588	0.000185	Sulfidic compounds
2129	42	66	0	0	1	10	602.588	0.000167	Sulfidic compounds
2130	34	68	0	0	1	1	508.604	0.000153	Sulfidic compounds
2131	37	68	0	0	1	4	544.604	0.000122	Sulfidic compounds
2132	38	68	0	0	1	5	556.604	0.000103	Sulfidic compounds
2133	42	68	0	0	1	9	604.604	0.000132	Sulfidic compounds
2134	8	10	2	0	0	4	138.08	7e-06	Acidic fraction
2135	11	10	1	0	0	7	158.08	9e-06	Acidic fraction
2136	12	10	2	0	0	8	186.08	1.4e-05	Acidic fraction
2137	13	10	1	0	0	9	182.08	1.1e-05	Acidic fraction
2138	13	10	2	0	0	9	198.08	2.5e-05	Acidic fraction
2139	14	10	1	0	0	10	194.08	1.8e-05	Acidic fraction
2140	9	12	2	0	0	4	152.096	8e-06	Acidic fraction
2141	10	12	2	0	0	5	164.096	2.2e-05	Acidic fraction
2142	11	12	2	0	0	6	176.096	2e-05	Acidic fraction
2143	12	12	1	0	0	7	172.096	3e-05	Acidic fraction
2144	12	12	2	0	0	7	188.096	1.1e-05	Acidic fraction
2145	13	12	1	0	0	8	184.096	3.7e-05	Acidic fraction
2146	13	12	2	0	0	8	200.096	1.6e-05	Acidic fraction
2147	14	12	1	0	0	9	196.096	6.1e-05	Acidic fraction
2148	14	12	2	0	0	9	212.096	0.0001	Acidic fraction
2149	15	12	1	0	0	10	208.096	0.000114	Acidic fraction
2150	15	12	2	0	0	10	224.096	3e-05	Acidic fraction
2151	16	12	1	0	0	11	220.096	5e-05	Acidic fraction
2152	16	12	2	0	0	11	236.096	1.2e-05	Acidic fraction
2153	17	12	1	0	0	12	232.096	3.2e-05	Acidic fraction
2154	18	12	2	0	0	13	260.096	1.9e-05	Acidic fraction
2155	9	14	2	0	0	3	154.112	7e-06	Acidic fraction
2156	10	14	2	0	0	4	166.112	2.1e-05	Acidic fraction
2157	11	14	1	0	0	5	162.112	1.3e-05	Acidic fraction
2158	11	14	2	0	0	5	178.112	6.6e-05	Acidic fraction
2159	12	14	1	0	0	6	174.112	1.4e-05	Acidic fraction
2160	12	14	2	0	0	6	190.112	3.6e-05	Acidic fraction
2161	13	14	1	0	0	7	186.112	6.1e-05	Acidic fraction
2162	13	14	2	0	0	7	202.112	2.5e-05	Acidic fraction
2163	14	14	1	0	0	8	198.112	0.000129	Acidic fraction
2164	14	14	2	0	0	8	214.112	6.1e-05	Acidic fraction
2165	15	14	1	0	0	9	210.112	0.000286	Acidic fraction
2166	15	14	2	0	0	9	226.112	0.000252	Acidic fraction
2167	16	14	1	0	0	10	222.112	0.000281	Acidic fraction
2168	16	14	2	0	0	10	238.112	7.2e-05	Acidic fraction
2169	17	14	1	0	0	11	234.112	0.000259	Acidic fraction
2170	17	14	2	0	0	11	250.112	4.2e-05	Acidic fraction
2171	18	14	1	0	0	12	246.112	6.6e-05	Acidic fraction
2172	18	14	2	0	0	12	262.112	4.2e-05	Acidic fraction
2173	19	14	1	0	0	13	258.112	3.5e-05	Acidic fraction
2174	19	14	2	0	0	13	274.112	1.6e-05	Acidic fraction
2175	20	14	1	0	0	14	270.112	3.8e-05	Acidic fraction
2176	8	16	2	0	0	1	144.128	1.2e-05	Acidic fraction
2177	10	16	2	0	0	3	168.128	4.1e-05	Acidic fraction
2178	11	16	1	0	0	4	164.128	1.9e-05	Acidic fraction
2179	11	16	2	0	0	4	180.128	3.1e-05	Acidic fraction
2180	12	16	1	0	0	5	176.128	7.2e-05	Acidic fraction
2181	12	16	2	0	0	5	192.128	6e-05	Acidic fraction
2182	13	16	1	0	0	6	188.128	4.2e-05	Acidic fraction
2183	13	16	2	0	0	6	204.128	8.6e-05	Acidic fraction
2184	14	16	1	0	0	7	200.128	7.4e-05	Acidic fraction
2185	14	16	2	0	0	7	216.128	5.6e-05	Acidic fraction
2186	15	16	1	0	0	8	212.128	0.000418	Acidic fraction
2187	15	16	2	0	0	8	228.128	0.000121	Acidic fraction
2188	16	16	1	0	0	9	224.128	0.000712	Acidic fraction
2189	16	16	2	0	0	9	240.128	0.000312	Acidic fraction
2190	17	16	1	0	0	10	236.128	0.000244	Acidic fraction
2191	17	16	2	0	0	10	252.128	0.000146	Acidic fraction
2192	18	16	1	0	0	11	248.128	0.000808	Acidic fraction
2193	18	16	2	0	0	11	264.128	5.9e-05	Acidic fraction
2194	19	16	1	0	0	12	260.128	0.000135	Acidic fraction
2195	19	16	2	0	0	12	276.128	3.4e-05	Acidic fraction
2196	20	16	1	0	0	13	272.128	5.9e-05	Acidic fraction
2197	20	16	2	0	0	13	288.128	9.8e-05	Acidic fraction
2198	21	16	1	0	0	14	284.128	5.2e-05	Acidic fraction
2199	21	16	2	0	0	14	300.128	4e-05	Acidic fraction
2200	9	18	2	0	0	1	158.144	0.00023	Acidic fraction
2201	10	18	2	0	0	2	170.144	2.7e-05	Acidic fraction
2202	11	18	2	0	0	3	182.144	4e-05	Acidic fraction
2203	12	18	1	0	0	4	178.144	6.2e-05	Acidic fraction
2204	12	18	2	0	0	4	194.144	4.2e-05	Acidic fraction
2205	13	18	1	0	0	5	190.144	0.000218	Acidic fraction
2206	13	18	2	0	0	5	206.144	0.000162	Acidic fraction
2207	14	18	1	0	0	6	202.144	0.000184	Acidic fraction
2208	14	18	2	0	0	6	218.144	0.000131	Acidic fraction
2209	15	18	1	0	0	7	214.144	0.000159	Acidic fraction
2210	15	18	2	0	0	7	230.144	0.000175	Acidic fraction
2211	16	18	1	0	0	8	226.144	0.000878	Acidic fraction
2212	16	18	2	0	0	8	242.144	0.000317	Acidic fraction
2213	17	18	1	0	0	9	238.144	0.001145	Acidic fraction
2214	17	18	2	0	0	9	254.144	0.000357	Acidic fraction
2215	18	18	1	0	0	10	250.144	0.000359	Acidic fraction
2216	18	18	2	0	0	10	266.144	0.000218	Acidic fraction
2217	19	18	1	0	0	11	262.144	0.00141	Acidic fraction
2218	19	18	2	0	0	11	278.144	7.2e-05	Acidic fraction
2219	20	18	1	0	0	12	274.144	0.000105	Acidic fraction
2220	20	18	2	0	0	12	290.144	3.9e-05	Acidic fraction
2221	21	18	1	0	0	13	286.144	8.7e-05	Acidic fraction
2222	21	18	2	0	0	13	302.144	0.00013	Acidic fraction
2223	22	18	1	0	0	14	298.144	5.5e-05	Acidic fraction
2224	10	20	2	0	0	1	172.16	0.00014	Acidic fraction
2225	11	20	2	0	0	2	184.16	7.2e-05	Acidic fraction
2226	12	20	2	0	0	3	196.16	0.000177	Acidic fraction
2227	13	20	1	0	0	4	192.16	0.000146	Acidic fraction
2228	13	20	2	0	0	4	208.16	0.000378	Acidic fraction
2229	14	20	1	0	0	5	204.16	0.000541	Acidic fraction
2230	14	20	2	0	0	5	220.16	0.000283	Acidic fraction
2231	15	20	1	0	0	6	216.16	0.000665	Acidic fraction
2232	15	20	2	0	0	6	232.16	0.000309	Acidic fraction
2233	16	20	1	0	0	7	228.16	0.000348	Acidic fraction
2234	16	20	2	0	0	7	244.16	0.000414	Acidic fraction
2235	17	20	1	0	0	8	240.16	0.001173	Acidic fraction
2236	17	20	2	0	0	8	256.16	0.00036	Acidic fraction
2237	18	20	1	0	0	9	252.16	0.001864	Acidic fraction
2238	18	20	2	0	0	9	268.16	0.000465	Acidic fraction
2239	19	20	1	0	0	10	264.16	0.000743	Acidic fraction
2240	19	20	2	0	0	10	280.16	0.000201	Acidic fraction
2241	20	20	1	0	0	11	276.16	0.001084	Acidic fraction
2242	20	20	2	0	0	11	292.16	5.3e-05	Acidic fraction
2243	21	20	1	0	0	12	288.16	0.00024	Acidic fraction
2244	21	20	2	0	0	12	304.16	2.8e-05	Acidic fraction
2245	22	20	1	0	0	13	300.16	0.000126	Acidic fraction
2246	22	20	2	0	0	13	316.16	0.000104	Acidic fraction
2247	23	20	1	0	0	14	312.16	6.6e-05	Acidic fraction
2248	11	22	2	0	0	1	186.176	0.000147	Acidic fraction
2249	12	22	1	0	0	2	182.176	1.1e-05	Acidic fraction
2250	12	22	2	0	0	2	198.176	0.000183	Acidic fraction
2251	13	22	1	0	0	3	194.176	1e-05	Acidic fraction
2252	13	22	2	0	0	3	210.176	0.000876	Acidic fraction
2253	14	22	1	0	0	4	206.176	0.001524	Acidic fraction
2254	14	22	2	0	0	4	222.176	0.003815	Acidic fraction
2255	15	22	1	0	0	5	218.176	0.001312	Acidic fraction
2256	15	22	2	0	0	5	234.176	0.000884	Acidic fraction
2257	16	22	1	0	0	6	230.176	0.001751	Acidic fraction
2258	16	22	2	0	0	6	246.176	0.000626	Acidic fraction
2259	17	22	1	0	0	7	242.176	0.000972	Acidic fraction
2260	17	22	2	0	0	7	258.176	0.000958	Acidic fraction
2261	18	22	1	0	0	8	254.176	0.001711	Acidic fraction
2262	18	22	2	0	0	8	270.176	0.000508	Acidic fraction
2263	19	22	1	0	0	9	266.176	0.002919	Acidic fraction
2264	19	22	2	0	0	9	282.176	0.000341	Acidic fraction
2265	20	22	1	0	0	10	278.176	0.000999	Acidic fraction
2266	20	22	2	0	0	10	294.176	0.00014	Acidic fraction
2267	21	22	1	0	0	11	290.176	0.000872	Acidic fraction
2268	21	22	2	0	0	11	306.176	5.1e-05	Acidic fraction
2269	22	22	1	0	0	12	302.176	0.00026	Acidic fraction
2270	22	22	2	0	0	12	318.176	3.4e-05	Acidic fraction
2271	23	22	1	0	0	13	314.176	0.000115	Acidic fraction
2272	23	22	2	0	0	13	330.176	8.8e-05	Acidic fraction
2273	24	22	1	0	0	14	326.176	5.6e-05	Acidic fraction
2274	24	22	2	0	0	14	342.176	3e-05	Acidic fraction
2275	12	24	1	0	0	1	184.192	1.2e-05	Acidic fraction
2276	12	24	2	0	0	1	200.192	0.000593	Acidic fraction
2277	13	24	2	0	0	2	212.192	0.000515	Acidic fraction
2278	14	24	1	0	0	3	208.192	1.8e-05	Acidic fraction
2279	14	24	2	0	0	3	224.192	0.002423	Acidic fraction
2280	15	24	1	0	0	4	220.192	0.001354	Acidic fraction
2281	15	24	2	0	0	4	236.192	0.003354	Acidic fraction
2282	16	24	1	0	0	5	232.192	0.002274	Acidic fraction
2283	16	24	2	0	0	5	248.192	0.001689	Acidic fraction
2284	17	24	1	0	0	6	244.192	0.003069	Acidic fraction
2285	17	24	2	0	0	6	260.192	0.001233	Acidic fraction
2286	18	24	1	0	0	7	256.192	0.002563	Acidic fraction
2287	18	24	2	0	0	7	272.192	0.001099	Acidic fraction
2288	19	24	1	0	0	8	268.192	0.002881	Acidic fraction
2289	19	24	2	0	0	8	284.192	0.000519	Acidic fraction
2290	20	24	1	0	0	9	280.192	0.003457	Acidic fraction
2291	20	24	2	0	0	9	296.192	0.000288	Acidic fraction
2292	21	24	1	0	0	10	292.192	0.001139	Acidic fraction
2293	21	24	2	0	0	10	308.192	0.00012	Acidic fraction
2294	22	24	1	0	0	11	304.192	0.000588	Acidic fraction
2295	22	24	2	0	0	11	320.192	4.3e-05	Acidic fraction
2296	23	24	1	0	0	12	316.192	0.000245	Acidic fraction
2297	23	24	2	0	0	12	332.192	3.4e-05	Acidic fraction
2298	24	24	1	0	0	13	328.192	0.000119	Acidic fraction
2299	24	24	2	0	0	13	344.192	7.3e-05	Acidic fraction
2300	25	24	1	0	0	14	340.192	6.4e-05	Acidic fraction
2301	25	24	2	0	0	14	356.192	3.7e-05	Acidic fraction
2302	13	26	1	0	0	1	198.208	1.3e-05	Acidic fraction
2303	13	26	2	0	0	1	214.208	0.000569	Acidic fraction
2304	14	26	1	0	0	2	210.208	2e-05	Acidic fraction
2305	14	26	2	0	0	2	226.208	0.001197	Acidic fraction
2306	15	26	1	0	0	3	222.208	2.3e-05	Acidic fraction
2307	15	26	2	0	0	3	238.208	0.004075	Acidic fraction
2308	16	26	1	0	0	4	234.208	0.002476	Acidic fraction
2309	16	26	2	0	0	4	250.208	0.004171	Acidic fraction
2310	17	26	1	0	0	5	246.208	0.00389	Acidic fraction
2311	17	26	2	0	0	5	262.208	0.001729	Acidic fraction
2312	18	26	1	0	0	6	258.208	0.006743	Acidic fraction
2313	18	26	2	0	0	6	274.208	0.000829	Acidic fraction
2314	19	26	1	0	0	7	270.208	0.004982	Acidic fraction
2315	19	26	2	0	0	7	286.208	0.001003	Acidic fraction
2316	20	26	1	0	0	8	282.208	0.003147	Acidic fraction
2317	20	26	2	0	0	8	298.208	0.000451	Acidic fraction
2318	21	26	1	0	0	9	294.208	0.00333	Acidic fraction
2319	21	26	2	0	0	9	310.208	0.000217	Acidic fraction
2320	22	26	1	0	0	10	306.208	0.001213	Acidic fraction
2321	23	26	1	0	0	11	318.208	0.000464	Acidic fraction
2322	23	26	2	0	0	11	334.208	3.2e-05	Acidic fraction
2323	24	26	1	0	0	12	330.208	0.000232	Acidic fraction
2324	25	26	1	0	0	13	342.208	0.000109	Acidic fraction
2325	25	26	2	0	0	13	358.208	4e-05	Acidic fraction
2326	26	26	1	0	0	14	354.208	6.4e-05	Acidic fraction
2327	14	28	1	0	0	1	212.224	1.7e-05	Acidic fraction
2328	14	28	2	0	0	1	228.224	0.00408	Acidic fraction
2329	15	28	1	0	0	2	224.224	2.7e-05	Acidic fraction
2330	15	28	2	0	0	2	240.224	0.001677	Acidic fraction
2331	16	28	1	0	0	3	236.224	2.3e-05	Acidic fraction
2332	16	28	2	0	0	3	252.224	0.004826	Acidic fraction
2333	17	28	1	0	0	4	248.224	0.005104	Acidic fraction
2334	17	28	2	0	0	4	264.224	0.003875	Acidic fraction
2335	18	28	1	0	0	5	260.224	0.007815	Acidic fraction
2336	18	28	2	0	0	5	276.224	0.001289	Acidic fraction
2337	19	28	1	0	0	6	272.224	0.009773	Acidic fraction
2338	19	28	2	0	0	6	288.224	0.001344	Acidic fraction
2339	20	28	1	0	0	7	284.224	0.00678	Acidic fraction
2340	20	28	2	0	0	7	300.224	0.001801	Acidic fraction
2341	21	28	1	0	0	8	296.224	0.003679	Acidic fraction
2342	21	28	2	0	0	8	312.224	0.000385	Acidic fraction
2343	22	28	1	0	0	9	308.224	0.002777	Acidic fraction
2344	22	28	2	0	0	9	324.224	0.000161	Acidic fraction
2345	23	28	1	0	0	10	320.224	0.001044	Acidic fraction
2346	23	28	2	0	0	10	336.224	7.5e-05	Acidic fraction
2347	24	28	1	0	0	11	332.224	0.000331	Acidic fraction
2348	24	28	2	0	0	11	348.224	2.7e-05	Acidic fraction
2349	25	28	1	0	0	12	344.224	0.000158	Acidic fraction
2350	26	28	1	0	0	13	356.224	9.8e-05	Acidic fraction
2351	26	28	2	0	0	13	372.224	3.4e-05	Acidic fraction
2352	27	28	1	0	0	14	368.224	3.2e-05	Acidic fraction
2353	14	30	2	0	0	0	230.24	1.5e-05	Acidic fraction
2354	15	30	1	0	0	1	226.24	4.4e-05	Acidic fraction
2355	15	30	2	0	0	1	242.24	0.0038	Acidic fraction
2356	16	30	1	0	0	2	238.24	3.3e-05	Acidic fraction
2357	16	30	2	0	0	2	254.24	0.004738	Acidic fraction
2358	17	30	1	0	0	3	250.24	2.8e-05	Acidic fraction
2359	17	30	2	0	0	3	266.24	0.004407	Acidic fraction
2360	18	30	1	0	0	4	262.24	0.010074	Acidic fraction
2361	18	30	2	0	0	4	278.24	0.00275	Acidic fraction
2362	19	30	1	0	0	5	274.24	0.006199	Acidic fraction
2363	19	30	2	0	0	5	290.24	0.001311	Acidic fraction
2364	20	30	1	0	0	6	286.24	0.012089	Acidic fraction
2365	20	30	2	0	0	6	302.24	0.001644	Acidic fraction
2366	21	30	1	0	0	7	298.24	0.006377	Acidic fraction
2367	21	30	2	0	0	7	314.24	0.001508	Acidic fraction
2368	22	30	1	0	0	8	310.24	0.003735	Acidic fraction
2369	22	30	2	0	0	8	326.24	0.000296	Acidic fraction
2370	23	30	1	0	0	9	322.24	0.002058	Acidic fraction
2371	23	30	2	0	0	9	338.24	0.000101	Acidic fraction
2372	24	30	1	0	0	10	334.24	0.000774	Acidic fraction
2373	24	30	2	0	0	10	350.24	4.8e-05	Acidic fraction
2374	25	30	1	0	0	11	346.24	0.000272	Acidic fraction
2375	25	30	2	0	0	11	362.24	4.1e-05	Acidic fraction
2376	26	30	1	0	0	12	358.24	0.000154	Acidic fraction
2377	27	30	1	0	0	13	370.24	7.7e-05	Acidic fraction
2378	27	30	2	0	0	13	386.24	2.8e-05	Acidic fraction
2379	28	30	1	0	0	14	382.24	3.8e-05	Acidic fraction
2380	16	32	1	0	0	1	240.256	2.8e-05	Acidic fraction
2381	16	32	2	0	0	1	256.256	0.084874	Acidic fraction
2382	17	32	1	0	0	2	252.256	3.4e-05	Acidic fraction
2383	17	32	2	0	0	2	268.256	0.004332	Acidic fraction
2384	18	32	1	0	0	3	264.256	6.1e-05	Acidic fraction
2385	18	32	2	0	0	3	280.256	0.005942	Acidic fraction
2386	19	32	1	0	0	4	276.256	0.015006	Acidic fraction
2387	19	32	2	0	0	4	292.256	0.002332	Acidic fraction
2388	20	32	1	0	0	5	288.256	0.013842	Acidic fraction
2389	20	32	2	0	0	5	304.256	0.001576	Acidic fraction
2390	21	32	1	0	0	6	300.256	0.009011	Acidic fraction
2391	21	32	2	0	0	6	316.256	0.000885	Acidic fraction
2392	22	32	1	0	0	7	312.256	0.005069	Acidic fraction
2393	22	32	2	0	0	7	328.256	0.000544	Acidic fraction
2394	23	32	1	0	0	8	324.256	0.002834	Acidic fraction
2395	23	32	2	0	0	8	340.256	0.000195	Acidic fraction
2396	24	32	1	0	0	9	336.256	0.001519	Acidic fraction
2397	24	32	2	0	0	9	352.256	0.000473	Acidic fraction
2398	25	32	1	0	0	10	348.256	0.000503	Acidic fraction
2399	25	32	2	0	0	10	364.256	4e-05	Acidic fraction
2400	26	32	1	0	0	11	360.256	0.000225	Acidic fraction
2401	27	32	1	0	0	12	372.256	0.000112	Acidic fraction
2402	27	32	2	0	0	12	388.256	2.2e-05	Acidic fraction
2403	28	32	1	0	0	13	384.256	5.9e-05	Acidic fraction
2404	29	32	1	0	0	14	396.256	2.8e-05	Acidic fraction
2405	16	34	2	0	0	0	258.272	2.8e-05	Acidic fraction
2406	17	34	1	0	0	1	254.272	5.4e-05	Acidic fraction
2407	17	34	2	0	0	1	270.272	0.005194	Acidic fraction
2408	18	34	1	0	0	2	266.272	4.9e-05	Acidic fraction
2409	18	34	2	0	0	2	282.272	0.010976	Acidic fraction
2410	19	34	1	0	0	3	278.272	7.5e-05	Acidic fraction
2411	19	34	2	0	0	3	294.272	0.004307	Acidic fraction
2412	20	34	1	0	0	4	290.272	0.020865	Acidic fraction
2413	20	34	2	0	0	4	306.272	0.002338	Acidic fraction
2414	21	34	1	0	0	5	302.272	0.011833	Acidic fraction
2415	21	34	2	0	0	5	318.272	0.001075	Acidic fraction
2416	22	34	1	0	0	6	314.272	0.006976	Acidic fraction
2417	22	34	2	0	0	6	330.272	0.00059	Acidic fraction
2418	23	34	1	0	0	7	326.272	0.003296	Acidic fraction
2419	23	34	2	0	0	7	342.272	0.000244	Acidic fraction
2420	24	34	1	0	0	8	338.272	0.001853	Acidic fraction
2421	24	34	2	0	0	8	354.272	0.000106	Acidic fraction
2422	25	34	1	0	0	9	350.272	0.000916	Acidic fraction
2423	25	34	2	0	0	9	366.272	4.3e-05	Acidic fraction
2424	26	34	1	0	0	10	362.272	0.000356	Acidic fraction
2425	26	34	2	0	0	10	378.272	3.6e-05	Acidic fraction
2426	27	34	1	0	0	11	374.272	0.000159	Acidic fraction
2427	28	34	1	0	0	12	386.272	9.3e-05	Acidic fraction
2428	29	34	1	0	0	13	398.272	3.9e-05	Acidic fraction
2429	17	36	2	0	0	0	272.288	1.9e-05	Acidic fraction
2430	18	36	1	0	0	1	268.288	9.4e-05	Acidic fraction
2431	18	36	2	0	0	1	284.288	0.055794	Acidic fraction
2432	19	36	1	0	0	2	280.288	6.1e-05	Acidic fraction
2433	19	36	2	0	0	2	296.288	0.005074	Acidic fraction
2434	20	36	1	0	0	3	292.288	8.8e-05	Acidic fraction
2435	20	36	2	0	0	3	308.288	0.004779	Acidic fraction
2436	21	36	1	0	0	4	304.288	0.017378	Acidic fraction
2437	21	36	2	0	0	4	320.288	0.001723	Acidic fraction
2438	22	36	1	0	0	5	316.288	0.008737	Acidic fraction
2439	22	36	2	0	0	5	332.288	0.000745	Acidic fraction
2440	23	36	1	0	0	6	328.288	0.004492	Acidic fraction
2441	23	36	2	0	0	6	344.288	0.000331	Acidic fraction
2442	24	36	1	0	0	7	340.288	0.001807	Acidic fraction
2443	24	36	2	0	0	7	356.288	0.000169	Acidic fraction
2444	25	36	1	0	0	8	352.288	0.001224	Acidic fraction
2445	25	36	2	0	0	8	368.288	5.3e-05	Acidic fraction
2446	26	36	1	0	0	9	364.288	0.000633	Acidic fraction
2447	26	36	2	0	0	9	380.288	3.9e-05	Acidic fraction
2448	27	36	1	0	0	10	376.288	0.000268	Acidic fraction
2449	28	36	1	0	0	11	388.288	0.000115	Acidic fraction
2450	28	36	2	0	0	11	404.288	2.1e-05	Acidic fraction
2451	29	36	1	0	0	12	400.288	6.7e-05	Acidic fraction
2452	30	36	1	0	0	13	412.288	3.2e-05	Acidic fraction
2453	18	38	1	0	0	0	270.304	3.2e-05	Acidic fraction
2454	18	38	2	0	0	0	286.304	4.6e-05	Acidic fraction
2455	19	38	1	0	0	1	282.304	7.1e-05	Acidic fraction
2456	19	38	2	0	0	1	298.304	0.006858	Acidic fraction
2457	20	38	1	0	0	2	294.304	6.8e-05	Acidic fraction
2458	20	38	2	0	0	2	310.304	0.00672	Acidic fraction
2459	21	38	1	0	0	3	306.304	0.000119	Acidic fraction
2460	21	38	2	0	0	3	322.304	0.003457	Acidic fraction
2461	22	38	1	0	0	4	318.304	0.01273	Acidic fraction
2462	22	38	2	0	0	4	334.304	0.001053	Acidic fraction
2463	23	38	1	0	0	5	330.304	0.00558	Acidic fraction
2464	23	38	2	0	0	5	346.304	0.000421	Acidic fraction
2465	24	38	1	0	0	6	342.304	0.002484	Acidic fraction
2466	24	38	2	0	0	6	358.304	0.000222	Acidic fraction
2467	25	38	1	0	0	7	354.304	0.001076	Acidic fraction
2468	25	38	2	0	0	7	370.304	9.3e-05	Acidic fraction
2469	26	38	1	0	0	8	366.304	0.000758	Acidic fraction
2470	26	38	2	0	0	8	382.304	5.3e-05	Acidic fraction
2471	27	38	1	0	0	9	378.304	0.000387	Acidic fraction
2472	28	38	1	0	0	10	390.304	0.000163	Acidic fraction
2473	29	38	1	0	0	11	402.304	9.5e-05	Acidic fraction
2474	30	38	1	0	0	12	414.304	4.7e-05	Acidic fraction
2475	31	38	1	0	0	13	426.304	2.3e-05	Acidic fraction
2476	19	40	1	0	0	0	284.32	3.3e-05	Acidic fraction
2477	19	40	2	0	0	0	300.32	2e-05	Acidic fraction
2478	20	40	1	0	0	1	296.32	9.6e-05	Acidic fraction
2479	20	40	2	0	0	1	312.32	0.014923	Acidic fraction
2480	21	40	1	0	0	2	308.32	0.000123	Acidic fraction
2481	21	40	2	0	0	2	324.32	0.0054	Acidic fraction
2482	22	40	1	0	0	3	320.32	0.000114	Acidic fraction
2483	22	40	2	0	0	3	336.32	0.002094	Acidic fraction
2484	23	40	1	0	0	4	332.32	0.007779	Acidic fraction
2485	23	40	2	0	0	4	348.32	0.000587	Acidic fraction
2486	24	40	1	0	0	5	344.32	0.003184	Acidic fraction
2487	24	40	2	0	0	5	360.32	0.000285	Acidic fraction
2488	25	40	1	0	0	6	356.32	0.001582	Acidic fraction
2489	25	40	2	0	0	6	372.32	0.000109	Acidic fraction
2490	26	40	1	0	0	7	368.32	0.000717	Acidic fraction
2491	26	40	2	0	0	7	384.32	6.2e-05	Acidic fraction
2492	27	40	1	0	0	8	380.32	0.00048	Acidic fraction
2493	27	40	2	0	0	8	396.32	4e-05	Acidic fraction
2494	28	40	1	0	0	9	392.32	0.000282	Acidic fraction
2495	28	40	2	0	0	9	408.32	3e-05	Acidic fraction
2496	29	40	1	0	0	10	404.32	0.000142	Acidic fraction
2497	30	40	1	0	0	11	416.32	6.3e-05	Acidic fraction
2498	31	40	1	0	0	12	428.32	3.8e-05	Acidic fraction
2499	20	42	1	0	0	0	298.336	6.4e-05	Acidic fraction
2500	20	42	2	0	0	0	314.336	4.9e-05	Acidic fraction
2501	21	42	1	0	0	1	310.336	0.000113	Acidic fraction
2502	21	42	2	0	0	1	326.336	0.009202	Acidic fraction
2503	22	42	1	0	0	2	322.336	9.5e-05	Acidic fraction
2504	22	42	2	0	0	2	338.336	0.003282	Acidic fraction
2505	23	42	1	0	0	3	334.336	9.7e-05	Acidic fraction
2506	23	42	2	0	0	3	350.336	0.001137	Acidic fraction
2507	24	42	1	0	0	4	346.336	0.004683	Acidic fraction
2508	24	42	2	0	0	4	362.336	0.000376	Acidic fraction
2509	25	42	1	0	0	5	358.336	0.002152	Acidic fraction
2510	25	42	2	0	0	5	374.336	0.000152	Acidic fraction
2511	26	42	1	0	0	6	370.336	0.001014	Acidic fraction
2512	26	42	2	0	0	6	386.336	8.2e-05	Acidic fraction
2513	27	42	1	0	0	7	382.336	0.000479	Acidic fraction
2514	27	42	2	0	0	7	398.336	4.8e-05	Acidic fraction
2515	28	42	1	0	0	8	394.336	0.000334	Acidic fraction
2516	28	42	2	0	0	8	410.336	0.000152	Acidic fraction
2517	29	42	1	0	0	9	406.336	0.000183	Acidic fraction
2518	30	42	1	0	0	10	418.336	7.8e-05	Acidic fraction
2519	31	42	1	0	0	11	430.336	4.8e-05	Acidic fraction
2520	21	44	1	0	0	0	312.352	8.5e-05	Acidic fraction
2521	21	44	2	0	0	0	328.352	2.5e-05	Acidic fraction
2522	22	44	1	0	0	1	324.352	9.2e-05	Acidic fraction
2523	22	44	2	0	0	1	340.352	0.005454	Acidic fraction
2524	23	44	1	0	0	2	336.352	0.000105	Acidic fraction
2525	23	44	2	0	0	2	352.352	0.001902	Acidic fraction
2526	24	44	1	0	0	3	348.352	9.3e-05	Acidic fraction
2527	24	44	2	0	0	3	364.352	0.000629	Acidic fraction
2528	25	44	1	0	0	4	360.352	0.003191	Acidic fraction
2529	25	44	2	0	0	4	376.352	0.000189	Acidic fraction
2530	26	44	1	0	0	5	372.352	0.001402	Acidic fraction
2531	26	44	2	0	0	5	388.352	7.7e-05	Acidic fraction
2532	27	44	1	0	0	6	384.352	0.000727	Acidic fraction
2533	27	44	2	0	0	6	400.352	7.2e-05	Acidic fraction
2534	28	44	1	0	0	7	396.352	0.000321	Acidic fraction
2535	28	44	2	0	0	7	412.352	2.9e-05	Acidic fraction
2536	29	44	1	0	0	8	408.352	0.000224	Acidic fraction
2537	29	44	2	0	0	8	424.352	2.9e-05	Acidic fraction
2538	30	44	1	0	0	9	420.352	0.000128	Acidic fraction
2539	31	44	1	0	0	10	432.352	7.2e-05	Acidic fraction
2540	32	44	1	0	0	11	444.352	3.2e-05	Acidic fraction
2541	22	46	1	0	0	0	326.368	9.8e-05	Acidic fraction
2542	22	46	2	0	0	0	342.368	3.3e-05	Acidic fraction
2543	23	46	1	0	0	1	338.368	7.9e-05	Acidic fraction
2544	23	46	2	0	0	1	354.368	0.002973	Acidic fraction
2545	24	46	1	0	0	2	350.368	9.3e-05	Acidic fraction
2546	24	46	2	0	0	2	366.368	0.001112	Acidic fraction
2547	25	46	1	0	0	3	362.368	6.8e-05	Acidic fraction
2548	25	46	2	0	0	3	378.368	0.000352	Acidic fraction
2549	26	46	1	0	0	4	374.368	0.002058	Acidic fraction
2550	26	46	2	0	0	4	390.368	0.000117	Acidic fraction
2551	27	46	1	0	0	5	386.368	0.001483	Acidic fraction
2552	27	46	2	0	0	5	402.368	8.2e-05	Acidic fraction
2553	28	46	1	0	0	6	398.368	0.000495	Acidic fraction
2554	28	46	2	0	0	6	414.368	4e-05	Acidic fraction
2555	29	46	1	0	0	7	410.368	7.4e-05	Acidic fraction
2556	29	46	2	0	0	7	426.368	2.3e-05	Acidic fraction
2557	30	46	1	0	0	8	422.368	0.000169	Acidic fraction
2558	31	46	1	0	0	9	434.368	8.8e-05	Acidic fraction
2559	32	46	1	0	0	10	446.368	2.7e-05	Acidic fraction
2560	23	48	1	0	0	0	340.384	7.9e-05	Acidic fraction
2561	23	48	2	0	0	0	356.384	2.6e-05	Acidic fraction
2562	24	48	1	0	0	1	352.384	6.9e-05	Acidic fraction
2563	24	48	2	0	0	1	368.384	0.002625	Acidic fraction
2564	25	48	1	0	0	2	364.384	6.5e-05	Acidic fraction
2565	25	48	2	0	0	2	380.384	0.000614	Acidic fraction
2566	26	48	1	0	0	3	376.384	4.6e-05	Acidic fraction
2567	26	48	2	0	0	3	392.384	0.000214	Acidic fraction
2568	27	48	1	0	0	4	388.384	0.001859	Acidic fraction
2569	27	48	2	0	0	4	404.384	5.4e-05	Acidic fraction
2570	28	48	1	0	0	5	400.384	0.000926	Acidic fraction
2571	28	48	2	0	0	5	416.384	9.5e-05	Acidic fraction
2572	29	48	1	0	0	6	412.384	0.000348	Acidic fraction
2573	29	48	2	0	0	6	428.384	3.9e-05	Acidic fraction
2574	30	48	1	0	0	7	424.384	0.000163	Acidic fraction
2575	31	48	1	0	0	8	436.384	0.000104	Acidic fraction
2576	32	48	1	0	0	9	448.384	4.6e-05	Acidic fraction
2577	24	50	1	0	0	0	354.4	6.2e-05	Acidic fraction
2578	24	50	2	0	0	0	370.4	2.4e-05	Acidic fraction
2579	25	50	1	0	0	1	366.4	6.2e-05	Acidic fraction
2580	25	50	2	0	0	1	382.4	0.001387	Acidic fraction
2581	26	50	1	0	0	2	378.4	3.8e-05	Acidic fraction
2582	26	50	2	0	0	2	394.4	0.000426	Acidic fraction
2583	27	50	1	0	0	3	390.4	2.2e-05	Acidic fraction
2584	27	50	2	0	0	3	406.4	0.000134	Acidic fraction
2585	28	50	1	0	0	4	402.4	0.001268	Acidic fraction
2586	28	50	2	0	0	4	418.4	4.6e-05	Acidic fraction
2587	29	50	1	0	0	5	414.4	0.000485	Acidic fraction
2588	29	50	2	0	0	5	430.4	3.2e-05	Acidic fraction
2589	30	50	1	0	0	6	426.4	0.000231	Acidic fraction
2590	30	50	2	0	0	6	442.4	4.5e-05	Acidic fraction
2591	31	50	1	0	0	7	438.4	0.000127	Acidic fraction
2592	32	50	1	0	0	8	450.4	6.5e-05	Acidic fraction
2593	33	50	1	0	0	9	462.4	4.1e-05	Acidic fraction
2594	33	50	2	0	0	9	478.4	3.2e-05	Acidic fraction
2595	25	52	1	0	0	0	368.416	4.9e-05	Acidic fraction
2596	26	52	1	0	0	1	380.416	4e-05	Acidic fraction
2597	26	52	2	0	0	1	396.416	0.000968	Acidic fraction
2598	27	52	1	0	0	2	392.416	3.6e-05	Acidic fraction
2599	27	52	2	0	0	2	408.416	0.000259	Acidic fraction
2600	28	52	1	0	0	3	404.416	2.3e-05	Acidic fraction
2601	28	52	2	0	0	3	420.416	0.000101	Acidic fraction
2602	29	52	1	0	0	4	416.416	0.000726	Acidic fraction
2603	29	52	2	0	0	4	432.416	3.2e-05	Acidic fraction
2604	30	52	1	0	0	5	428.416	0.00033	Acidic fraction
2605	30	52	2	0	0	5	444.416	2.7e-05	Acidic fraction
2606	31	52	1	0	0	6	440.416	0.000149	Acidic fraction
2607	32	52	1	0	0	7	452.416	6.5e-05	Acidic fraction
2608	33	52	1	0	0	8	464.416	3.9e-05	Acidic fraction
2609	26	54	1	0	0	0	382.432	2.5e-05	Acidic fraction
2610	27	54	1	0	0	1	394.432	2.7e-05	Acidic fraction
2611	27	54	2	0	0	1	410.432	0.000159	Acidic fraction
2612	28	54	1	0	0	2	406.432	2.3e-05	Acidic fraction
2613	28	54	2	0	0	2	422.432	0.000171	Acidic fraction
2614	29	54	2	0	0	3	434.432	6.1e-05	Acidic fraction
2615	30	54	1	0	0	4	430.432	0.000479	Acidic fraction
2616	31	54	1	0	0	5	442.432	0.00021	Acidic fraction
2617	31	54	2	0	0	5	458.432	3.1e-05	Acidic fraction
2618	32	54	1	0	0	6	454.432	0.000104	Acidic fraction
2619	33	54	1	0	0	7	466.432	2.6e-05	Acidic fraction
2620	38	54	2	0	0	12	542.432	2.9e-05	Acidic fraction
2621	27	56	1	0	0	0	396.448	2.9e-05	Acidic fraction
2622	28	56	2	0	0	1	424.448	0.000318	Acidic fraction
2623	29	56	2	0	0	2	436.448	0.0001	Acidic fraction
2624	30	56	2	0	0	3	448.448	3e-05	Acidic fraction
2625	31	56	1	0	0	4	444.448	0.000292	Acidic fraction
2626	32	56	1	0	0	5	456.448	0.00012	Acidic fraction
2627	33	56	1	0	0	6	468.448	6.7e-05	Acidic fraction
2628	29	58	2	0	0	1	438.464	0.000174	Acidic fraction
2629	30	58	2	0	0	2	450.464	7.7e-05	Acidic fraction
2630	32	58	1	0	0	4	458.464	0.000178	Acidic fraction
2631	33	58	1	0	0	5	470.464	7.7e-05	Acidic fraction
2632	34	58	1	0	0	6	482.464	3.5e-05	Acidic fraction
2633	30	60	2	0	0	1	452.48	0.000134	Acidic fraction
2634	31	60	2	0	0	2	464.48	3.1e-05	Acidic fraction
2635	33	60	1	0	0	4	472.48	7.9e-05	Acidic fraction
2636	34	60	1	0	0	5	484.48	3.7e-05	Acidic fraction
2637	35	60	1	0	0	6	496.48	2.7e-05	Acidic fraction
2638	31	62	2	0	0	1	466.496	6.2e-05	Acidic fraction
2639	32	62	2	0	0	2	478.496	3.5e-05	Acidic fraction
2640	34	62	1	0	0	4	486.496	3.8e-05	Acidic fraction
2641	32	64	2	0	0	1	480.512	2.6e-05	Acidic fraction
2642	34	64	1	0	0	3	488.512	3.2e-05	Acidic fraction
2643	35	64	1	0	0	4	500.512	2.7e-05	Acidic fraction
2644	43	64	2	0	0	12	612.512	3.3e-05	Acidic fraction
2645	38	66	2	0	0	6	554.528	3e-05	Acidic fraction