vgo_03_formula

id	C	H	O	N	S	DBE	molecular_weight	mass fraction_wtpct	compound type
1	11	24	0	0	0	0	156.192	0.124441	Saturates
2	12	26	0	0	0	0	170.208	0.647258	Saturates
3	13	28	0	0	0	0	184.224	1.55324	Saturates
4	14	30	0	0	0	0	198.24	2.74828	Saturates
5	15	32	0	0	0	0	212.256	4.6607	Saturates
6	16	34	0	0	0	0	226.272	7.09842	Saturates
7	17	36	0	0	0	0	240.288	6.87448	Saturates
8	18	38	0	0	0	0	254.304	4.0176	Saturates
9	19	40	0	0	0	0	268.32	1.82781	Saturates
10	20	42	0	0	0	0	282.336	0.693001	Saturates
11	21	44	0	0	0	0	296.352	0.158187	Saturates
12	22	46	0	0	0	0	310.368	0.049228	Saturates
13	11	22	0	0	0	1	154.176	0.171411	Saturates
14	12	24	0	0	0	1	168.192	0.309112	Saturates
15	13	26	0	0	0	1	182.208	0.636131	Saturates
16	14	28	0	0	0	1	196.224	0.933302	Saturates
17	15	30	0	0	0	1	210.24	1.34227	Saturates
18	16	32	0	0	0	1	224.256	1.79488	Saturates
19	17	34	0	0	0	1	238.272	1.86345	Saturates
20	18	36	0	0	0	1	252.288	1.4125	Saturates
21	19	38	0	0	0	1	266.304	0.765867	Saturates
22	20	40	0	0	0	1	280.32	0.313793	Saturates
23	21	42	0	0	0	1	294.336	0.103844	Saturates
24	22	44	0	0	0	1	308.352	0.031005	Saturates
25	11	20	0	0	0	2	152.16	0.068948	Saturates
26	12	22	0	0	0	2	166.176	0.1778	Saturates
27	13	24	0	0	0	2	180.192	0.512863	Saturates
28	14	26	0	0	0	2	194.208	0.873327	Saturates
29	15	28	0	0	0	2	208.224	1.49137	Saturates
30	16	30	0	0	0	2	222.24	1.73778	Saturates
31	17	32	0	0	0	2	236.256	1.59642	Saturates
32	18	34	0	0	0	2	250.272	1.22659	Saturates
33	19	36	0	0	0	2	264.288	0.696364	Saturates
34	20	38	0	0	0	2	278.304	0.302998	Saturates
35	21	40	0	0	0	2	292.32	0.112243	Saturates
36	22	42	0	0	0	2	306.336	0.042047	Saturates
37	11	18	0	0	0	3	150.144	0.01122	Saturates
38	12	20	0	0	0	3	164.16	0.026734	Saturates
39	13	22	0	0	0	3	178.176	0.089058	Saturates
40	14	24	0	0	0	3	192.192	0.198488	Saturates
41	15	26	0	0	0	3	206.208	0.358022	Saturates
42	16	28	0	0	0	3	220.224	0.480287	Saturates
43	17	30	0	0	0	3	234.24	0.487332	Saturates
44	18	32	0	0	0	3	248.256	0.378369	Saturates
45	19	34	0	0	0	3	262.272	0.202811	Saturates
46	20	36	0	0	0	3	276.288	0.088447	Saturates
47	21	38	0	0	0	3	290.304	0.033885	Saturates
48	11	16	0	0	0	4	148.128	0.001651	Saturates
49	12	18	0	0	0	4	162.144	0.005998	Saturates
50	13	20	0	0	0	4	176.16	0.013301	Saturates
51	14	22	0	0	0	4	190.176	0.028668	Saturates
52	15	24	0	0	0	4	204.192	0.054792	Saturates
53	16	26	0	0	0	4	218.208	0.082505	Saturates
54	17	28	0	0	0	4	232.224	0.080988	Saturates
55	18	30	0	0	0	4	246.24	0.054315	Saturates
56	19	32	0	0	0	4	260.256	0.0262	Saturates
57	20	34	0	0	0	4	274.272	0.010233	Saturates
58	21	36	0	0	0	4	288.288	0.003669	Saturates
59	22	38	0	0	0	4	302.304	0.001579	Saturates
60	11	14	0	0	0	5	146.112	0.001147	Saturates
61	12	16	0	0	0	5	160.128	0.003173	Saturates
62	13	18	0	0	0	5	174.144	0.007891	Saturates
63	14	20	0	0	0	5	188.16	0.014927	Saturates
64	15	22	0	0	0	5	202.176	0.023271	Saturates
65	16	24	0	0	0	5	216.192	0.030697	Saturates
66	17	26	0	0	0	5	230.208	0.028611	Saturates
67	18	28	0	0	0	5	244.224	0.02034	Saturates
68	19	30	0	0	0	5	258.24	0.011198	Saturates
69	20	32	0	0	0	5	272.256	0.005794	Saturates
70	21	34	0	0	0	5	286.272	0.002243	Saturates
71	13	16	0	0	0	6	172.128	0.00407	Saturates
72	14	18	0	0	0	6	186.144	0.012388	Saturates
73	15	20	0	0	0	6	200.16	0.027227	Saturates
74	16	22	0	0	0	6	214.176	0.038271	Saturates
75	17	24	0	0	0	6	228.192	0.038011	Saturates
76	18	26	0	0	0	6	242.208	0.027457	Saturates
77	19	28	0	0	0	6	256.224	0.015986	Saturates
78	20	30	0	0	0	6	270.24	0.006582	Saturates
79	15	24	0	0	0	4	204.192	0.118959	Aromatics
80	16	26	0	0	0	4	218.208	0.675617	Aromatics
81	17	28	0	0	0	4	232.224	1.06379	Aromatics
82	18	30	0	0	0	4	246.24	1.45545	Aromatics
83	19	32	0	0	0	4	260.256	1.9339	Aromatics
84	20	34	0	0	0	4	274.272	2.10375	Aromatics
85	21	36	0	0	0	4	288.288	1.60197	Aromatics
86	22	38	0	0	0	4	302.304	0.832252	Aromatics
87	23	40	0	0	0	4	316.32	0.286829	Aromatics
88	24	42	0	0	0	4	330.336	0.08044	Aromatics
89	15	22	0	0	0	5	202.176	0.07394	Aromatics
90	16	24	0	0	0	5	216.192	0.343787	Aromatics
91	17	26	0	0	0	5	230.208	0.611784	Aromatics
92	18	28	0	0	0	5	244.224	0.816432	Aromatics
93	19	30	0	0	0	5	258.24	0.80899	Aromatics
94	20	32	0	0	0	5	272.256	0.707065	Aromatics
95	21	34	0	0	0	5	286.272	0.496625	Aromatics
96	22	36	0	0	0	5	300.288	0.262654	Aromatics
97	23	38	0	0	0	5	314.304	0.106278	Aromatics
98	24	40	0	0	0	5	328.32	0.032299	Aromatics
99	25	42	0	0	0	5	342.336	0.010889	Aromatics
100	15	20	0	0	0	6	200.16	0.020116	Aromatics
101	16	22	0	0	0	6	214.176	0.056531	Aromatics
102	17	24	0	0	0	6	228.192	0.158048	Aromatics
103	18	26	0	0	0	6	242.208	0.323151	Aromatics
104	19	28	0	0	0	6	256.224	0.530328	Aromatics
105	20	30	0	0	0	6	270.24	0.655641	Aromatics
106	21	32	0	0	0	6	284.256	0.575752	Aromatics
107	22	34	0	0	0	6	298.272	0.379926	Aromatics
108	23	36	0	0	0	6	312.288	0.174333	Aromatics
109	24	38	0	0	0	6	326.304	0.057026	Aromatics
110	25	40	0	0	0	6	340.32	0.017165	Aromatics
111	15	18	0	0	0	7	198.144	0.404141	Aromatics
112	16	20	0	0	0	7	212.16	2.03805	Aromatics
113	17	22	0	0	0	7	226.176	3.6915	Aromatics
114	18	24	0	0	0	7	240.192	2.63598	Aromatics
115	19	26	0	0	0	7	254.208	1.26116	Aromatics
116	20	28	0	0	0	7	268.224	0.597694	Aromatics
117	21	30	0	0	0	7	282.24	0.308286	Aromatics
118	22	32	0	0	0	7	296.256	0.197716	Aromatics
119	23	34	0	0	0	7	310.272	0.104148	Aromatics
120	24	36	0	0	0	7	324.288	0.041034	Aromatics
121	16	18	0	0	0	8	210.144	0.009691	Aromatics
122	17	20	0	0	0	8	224.16	0.086331	Aromatics
123	18	22	0	0	0	8	238.176	0.258856	Aromatics
124	19	24	0	0	0	8	252.192	0.33455	Aromatics
125	20	26	0	0	0	8	266.208	0.266674	Aromatics
126	21	28	0	0	0	8	280.224	0.168233	Aromatics
127	22	30	0	0	0	8	294.24	0.10939	Aromatics
128	23	32	0	0	0	8	308.256	0.055384	Aromatics
129	24	34	0	0	0	8	322.272	0.023094	Aromatics
130	25	36	0	0	0	8	336.288	0.008612	Aromatics
131	17	18	0	0	0	9	222.144	0.027882	Aromatics
132	18	20	0	0	0	9	236.16	0.116975	Aromatics
133	19	22	0	0	0	9	250.176	0.120905	Aromatics
134	20	24	0	0	0	9	264.192	0.069634	Aromatics
135	21	26	0	0	0	9	278.208	0.052605	Aromatics
136	22	28	0	0	0	9	292.224	0.039006	Aromatics
137	23	30	0	0	0	9	306.24	0.024128	Aromatics
138	24	32	0	0	0	9	320.256	0.012123	Aromatics
139	25	34	0	0	0	9	334.272	0.005484	Aromatics
140	16	14	0	0	0	10	206.112	0.00109	Aromatics
141	17	16	0	0	0	10	220.128	0.005555	Aromatics
142	18	18	0	0	0	10	234.144	0.021595	Aromatics
143	19	20	0	0	0	10	248.16	0.029163	Aromatics
144	20	22	0	0	0	10	262.176	0.028325	Aromatics
145	21	24	0	0	0	10	276.192	0.021042	Aromatics
146	22	26	0	0	0	10	290.208	0.011565	Aromatics
147	23	28	0	0	0	10	304.224	0.004987	Aromatics
148	24	30	0	0	0	10	318.24	0.001774	Aromatics
149	16	12	0	0	0	11	204.096	0.003748	Aromatics
150	17	14	0	0	0	11	218.112	0.039483	Aromatics
151	18	16	0	0	0	11	232.128	0.13626	Aromatics
152	19	18	0	0	0	11	246.144	0.16658	Aromatics
153	20	20	0	0	0	11	260.16	0.139803	Aromatics
154	21	22	0	0	0	11	274.176	0.086515	Aromatics
155	22	24	0	0	0	11	288.192	0.036023	Aromatics
156	23	26	0	0	0	11	302.208	0.011037	Aromatics
157	24	28	0	0	0	11	316.224	0.002948	Aromatics
158	19	16	0	0	0	12	244.128	0.001966	Aromatics
159	20	18	0	0	0	12	258.144	0.003642	Aromatics
160	21	20	0	0	0	12	272.16	0.005153	Aromatics
161	22	22	0	0	0	12	286.176	0.003389	Aromatics
162	23	24	0	0	0	12	300.192	0.001461	Aromatics
163	13	11	1	1	0	9	197.098	0.000149	Basic nitrogen compounds
164	10	11	0	1	1	6	177.158	0.000528	Basic nitrogen compounds
165	11	11	0	1	1	7	189.158	0.000155	Basic nitrogen compounds
166	13	11	0	1	1	9	213.158	0.000301	Basic nitrogen compounds
167	14	11	0	1	1	10	225.158	2e-05	Basic nitrogen compounds
168	9	11	0	1	0	5	133.098	1.3e-05	Basic nitrogen compounds
169	10	11	0	1	0	6	145.098	1.2e-05	Basic nitrogen compounds
170	11	11	0	1	0	7	157.098	0.000101	Basic nitrogen compounds
171	12	11	0	1	0	8	169.098	0.000143	Basic nitrogen compounds
172	13	11	0	1	0	9	181.098	0.000154	Basic nitrogen compounds
173	14	11	0	1	0	10	193.098	0.000295	Basic nitrogen compounds
174	15	11	0	1	0	11	205.098	2.2e-05	Basic nitrogen compounds
175	19	11	0	1	0	15	253.098	1.6e-05	Basic nitrogen compounds
176	20	11	0	1	0	16	265.098	1.8e-05	Basic nitrogen compounds
177	21	11	0	1	0	17	277.098	2.9e-05	Basic nitrogen compounds
178	22	11	0	1	0	18	289.098	5e-05	Basic nitrogen compounds
179	11	12	0	2	0	7	172.116	1e-05	Basic nitrogen compounds
180	8	13	1	1	0	3	139.114	9e-06	Basic nitrogen compounds
181	10	13	1	1	0	5	163.114	1e-05	Basic nitrogen compounds
182	11	13	1	1	0	6	175.114	6.1e-05	Basic nitrogen compounds
183	12	13	1	1	0	7	187.114	0.000143	Basic nitrogen compounds
184	13	13	1	1	0	8	199.114	6.6e-05	Basic nitrogen compounds
185	14	13	1	1	0	9	211.114	0.000155	Basic nitrogen compounds
186	10	13	0	1	1	5	179.174	3.3e-05	Basic nitrogen compounds
187	11	13	0	1	1	6	191.174	0.002501	Basic nitrogen compounds
188	12	13	0	1	1	7	203.174	0.000204	Basic nitrogen compounds
189	14	13	0	1	1	9	227.174	0.000308	Basic nitrogen compounds
190	15	13	0	1	1	10	239.174	2e-05	Basic nitrogen compounds
191	17	13	0	1	1	12	263.174	3.7e-05	Basic nitrogen compounds
192	10	13	0	1	0	5	147.114	1.8e-05	Basic nitrogen compounds
193	11	13	0	1	0	6	159.114	3.8e-05	Basic nitrogen compounds
194	12	13	0	1	0	7	171.114	0.001908	Basic nitrogen compounds
195	13	13	0	1	0	8	183.114	0.000784	Basic nitrogen compounds
196	14	13	0	1	0	9	195.114	0.000332	Basic nitrogen compounds
197	15	13	0	1	0	10	207.114	0.00063	Basic nitrogen compounds
198	16	13	0	1	0	11	219.114	3.7e-05	Basic nitrogen compounds
199	17	13	0	1	0	12	231.114	5e-05	Basic nitrogen compounds
200	18	13	0	1	0	13	243.114	3.7e-05	Basic nitrogen compounds
201	20	13	0	1	0	15	267.114	1.8e-05	Basic nitrogen compounds
202	22	13	0	1	0	17	291.114	3.2e-05	Basic nitrogen compounds
203	23	13	0	1	0	18	303.114	6.1e-05	Basic nitrogen compounds
204	12	14	0	2	0	7	186.132	0.000126	Basic nitrogen compounds
205	13	14	0	2	0	8	198.132	1.3e-05	Basic nitrogen compounds
206	9	15	1	1	0	3	153.13	0.00021	Basic nitrogen compounds
207	11	15	1	1	0	5	177.13	2.5e-05	Basic nitrogen compounds
208	12	15	1	1	0	6	189.13	0.00025	Basic nitrogen compounds
209	13	15	1	1	0	7	201.13	0.00021	Basic nitrogen compounds
210	14	15	1	1	0	8	213.13	9.7e-05	Basic nitrogen compounds
211	15	15	1	1	0	9	225.13	0.000104	Basic nitrogen compounds
212	17	15	1	1	0	11	249.13	1.6e-05	Basic nitrogen compounds
213	11	15	0	1	1	5	193.19	0.000116	Basic nitrogen compounds
214	12	15	0	1	1	6	205.19	0.004694	Basic nitrogen compounds
215	13	15	0	1	1	7	217.19	0.000198	Basic nitrogen compounds
216	15	15	0	1	1	9	241.19	0.000183	Basic nitrogen compounds
217	16	15	0	1	1	10	253.19	2.3e-05	Basic nitrogen compounds
218	17	15	0	1	1	11	265.19	5.9e-05	Basic nitrogen compounds
219	18	15	0	1	1	12	277.19	6.7e-05	Basic nitrogen compounds
220	10	15	0	1	0	4	149.13	1.1e-05	Basic nitrogen compounds
221	11	15	0	1	0	5	161.13	7e-05	Basic nitrogen compounds
222	12	15	0	1	0	6	173.13	0.000256	Basic nitrogen compounds
223	13	15	0	1	0	7	185.13	0.015175	Basic nitrogen compounds
224	14	15	0	1	0	8	197.13	0.002255	Basic nitrogen compounds
225	15	15	0	1	0	9	209.13	0.000425	Basic nitrogen compounds
226	16	15	0	1	0	10	221.13	0.000431	Basic nitrogen compounds
227	17	15	0	1	0	11	233.13	7.5e-05	Basic nitrogen compounds
228	18	15	0	1	0	12	245.13	6.1e-05	Basic nitrogen compounds
229	19	15	0	1	0	13	257.13	5.3e-05	Basic nitrogen compounds
230	21	15	0	1	0	15	281.13	2.1e-05	Basic nitrogen compounds
231	22	15	0	1	0	16	293.13	2.3e-05	Basic nitrogen compounds
232	23	15	0	1	0	17	305.13	4.6e-05	Basic nitrogen compounds
233	24	15	0	1	0	18	317.13	2e-05	Basic nitrogen compounds
234	12	16	0	2	0	6	188.148	1.2e-05	Basic nitrogen compounds
235	13	16	0	2	0	7	200.148	0.000141	Basic nitrogen compounds
236	14	16	0	2	0	8	212.148	2e-05	Basic nitrogen compounds
237	10	17	1	1	0	3	167.146	1.7e-05	Basic nitrogen compounds
238	11	17	1	1	0	4	179.146	2.6e-05	Basic nitrogen compounds
239	12	17	1	1	0	5	191.146	5.4e-05	Basic nitrogen compounds
240	13	17	1	1	0	6	203.146	0.000293	Basic nitrogen compounds
241	14	17	1	1	0	7	215.146	0.000194	Basic nitrogen compounds
242	15	17	1	1	0	8	227.146	6e-05	Basic nitrogen compounds
243	16	17	1	1	0	9	239.146	7.1e-05	Basic nitrogen compounds
244	17	17	1	1	0	10	251.146	1.9e-05	Basic nitrogen compounds
245	18	17	1	1	0	11	263.146	2.4e-05	Basic nitrogen compounds
246	12	17	0	1	1	5	207.206	0.0002	Basic nitrogen compounds
247	13	17	0	1	1	6	219.206	0.005616	Basic nitrogen compounds
248	14	17	0	1	1	7	231.206	0.000283	Basic nitrogen compounds
249	16	17	0	1	1	9	255.206	0.000109	Basic nitrogen compounds
250	17	17	0	1	1	10	267.206	4.6e-05	Basic nitrogen compounds
251	18	17	0	1	1	11	279.206	4.5e-05	Basic nitrogen compounds
252	19	17	0	1	1	12	291.206	6.8e-05	Basic nitrogen compounds
253	20	17	0	1	1	13	303.206	2.9e-05	Basic nitrogen compounds
254	11	17	0	1	0	4	163.146	4.1e-05	Basic nitrogen compounds
255	12	17	0	1	0	5	175.146	0.000611	Basic nitrogen compounds
256	13	17	0	1	0	6	187.146	0.001386	Basic nitrogen compounds
257	14	17	0	1	0	7	199.146	0.032913	Basic nitrogen compounds
258	15	17	0	1	0	8	211.146	0.004198	Basic nitrogen compounds
259	16	17	0	1	0	9	223.146	0.000491	Basic nitrogen compounds
260	17	17	0	1	0	10	235.146	0.000288	Basic nitrogen compounds
261	18	17	0	1	0	11	247.146	0.000119	Basic nitrogen compounds
262	19	17	0	1	0	12	259.146	0.0001	Basic nitrogen compounds
263	20	17	0	1	0	13	271.146	3e-05	Basic nitrogen compounds
264	21	17	0	1	0	14	283.146	2e-05	Basic nitrogen compounds
265	22	17	0	1	0	15	295.146	3e-05	Basic nitrogen compounds
266	23	17	0	1	0	16	307.146	2.8e-05	Basic nitrogen compounds
267	24	17	0	1	0	17	319.146	3.7e-05	Basic nitrogen compounds
268	25	17	0	1	0	18	331.146	2.3e-05	Basic nitrogen compounds
269	13	18	0	2	0	6	202.164	2.1e-05	Basic nitrogen compounds
270	14	18	0	2	0	7	214.164	0.000111	Basic nitrogen compounds
271	15	18	0	2	0	8	226.164	3.1e-05	Basic nitrogen compounds
272	9	19	1	1	0	1	157.162	9e-06	Basic nitrogen compounds
273	11	19	1	1	0	3	181.162	6.1e-05	Basic nitrogen compounds
274	12	19	1	1	0	4	193.162	8.3e-05	Basic nitrogen compounds
275	13	19	1	1	0	5	205.162	8e-05	Basic nitrogen compounds
276	14	19	1	1	0	6	217.162	0.000281	Basic nitrogen compounds
277	15	19	1	1	0	7	229.162	0.000172	Basic nitrogen compounds
278	16	19	1	1	0	8	241.162	6e-05	Basic nitrogen compounds
279	17	19	1	1	0	9	253.162	4.6e-05	Basic nitrogen compounds
280	18	19	1	1	0	10	265.162	2.6e-05	Basic nitrogen compounds
281	19	19	1	1	0	11	277.162	2.9e-05	Basic nitrogen compounds
282	13	19	0	1	1	5	221.222	0.000289	Basic nitrogen compounds
283	14	19	0	1	1	6	233.222	0.004362	Basic nitrogen compounds
284	15	19	0	1	1	7	245.222	0.000204	Basic nitrogen compounds
285	17	19	0	1	1	9	269.222	9.5e-05	Basic nitrogen compounds
286	18	19	0	1	1	10	281.222	8.2e-05	Basic nitrogen compounds
287	19	19	0	1	1	11	293.222	5e-05	Basic nitrogen compounds
288	20	19	0	1	1	12	305.222	5.5e-05	Basic nitrogen compounds
289	21	19	0	1	1	13	317.222	3.8e-05	Basic nitrogen compounds
290	12	19	0	1	0	4	177.162	0.000198	Basic nitrogen compounds
291	13	19	0	1	0	5	189.162	0.002854	Basic nitrogen compounds
292	14	19	0	1	0	6	201.162	0.004776	Basic nitrogen compounds
293	15	19	0	1	0	7	213.162	0.027769	Basic nitrogen compounds
294	16	19	0	1	0	8	225.162	0.005464	Basic nitrogen compounds
295	17	19	0	1	0	9	237.162	0.000514	Basic nitrogen compounds
296	18	19	0	1	0	10	249.162	0.000196	Basic nitrogen compounds
297	19	19	0	1	0	11	261.162	0.000153	Basic nitrogen compounds
298	20	19	0	1	0	12	273.162	0.000118	Basic nitrogen compounds
299	21	19	0	1	0	13	285.162	5.6e-05	Basic nitrogen compounds
300	22	19	0	1	0	14	297.162	2.5e-05	Basic nitrogen compounds
301	23	19	0	1	0	15	309.162	3.8e-05	Basic nitrogen compounds
302	24	19	0	1	0	16	321.162	3.3e-05	Basic nitrogen compounds
303	25	19	0	1	0	17	333.162	2.7e-05	Basic nitrogen compounds
304	13	20	0	2	0	5	204.18	1.4e-05	Basic nitrogen compounds
305	14	20	0	2	0	6	216.18	2.6e-05	Basic nitrogen compounds
306	15	20	0	2	0	7	228.18	7.7e-05	Basic nitrogen compounds
307	16	20	0	2	0	8	240.18	2.1e-05	Basic nitrogen compounds
308	10	21	1	1	0	1	171.178	9e-06	Basic nitrogen compounds
309	11	21	1	1	0	2	183.178	1.5e-05	Basic nitrogen compounds
310	12	21	1	1	0	3	195.178	0.000139	Basic nitrogen compounds
311	13	21	1	1	0	4	207.178	0.000179	Basic nitrogen compounds
312	14	21	1	1	0	5	219.178	0.000125	Basic nitrogen compounds
313	15	21	1	1	0	6	231.178	0.00026	Basic nitrogen compounds
314	16	21	1	1	0	7	243.178	0.000115	Basic nitrogen compounds
315	17	21	1	1	0	8	255.178	4.1e-05	Basic nitrogen compounds
316	18	21	1	1	0	9	267.178	4.7e-05	Basic nitrogen compounds
317	19	21	1	1	0	10	279.178	3.2e-05	Basic nitrogen compounds
318	20	21	1	1	0	11	291.178	4.5e-05	Basic nitrogen compounds
319	21	21	1	1	0	12	303.178	3.4e-05	Basic nitrogen compounds
320	14	21	0	1	1	5	235.238	0.000268	Basic nitrogen compounds
321	15	21	0	1	1	6	247.238	0.002004	Basic nitrogen compounds
322	16	21	0	1	1	7	259.238	0.000137	Basic nitrogen compounds
323	18	21	0	1	1	9	283.238	0.000242	Basic nitrogen compounds
324	19	21	0	1	1	10	295.238	7.7e-05	Basic nitrogen compounds
325	20	21	0	1	1	11	307.238	3.9e-05	Basic nitrogen compounds
326	21	21	0	1	1	12	319.238	4.9e-05	Basic nitrogen compounds
327	22	21	0	1	1	13	331.238	2.8e-05	Basic nitrogen compounds
328	23	21	0	1	1	14	343.238	2.3e-05	Basic nitrogen compounds
329	13	21	0	1	0	4	191.178	0.000611	Basic nitrogen compounds
330	14	21	0	1	0	5	203.178	0.005515	Basic nitrogen compounds
331	15	21	0	1	0	6	215.178	0.008624	Basic nitrogen compounds
332	16	21	0	1	0	7	227.178	0.014739	Basic nitrogen compounds
333	17	21	0	1	0	8	239.178	0.003804	Basic nitrogen compounds
334	18	21	0	1	0	9	251.178	0.000462	Basic nitrogen compounds
335	19	21	0	1	0	10	263.178	0.000211	Basic nitrogen compounds
336	20	21	0	1	0	11	275.178	0.000141	Basic nitrogen compounds
337	21	21	0	1	0	12	287.178	9.8e-05	Basic nitrogen compounds
338	22	21	0	1	0	13	299.178	4.7e-05	Basic nitrogen compounds
339	23	21	0	1	0	14	311.178	3e-05	Basic nitrogen compounds
340	24	21	0	1	0	15	323.178	3.9e-05	Basic nitrogen compounds
341	25	21	0	1	0	16	335.178	2.4e-05	Basic nitrogen compounds
342	14	22	0	2	0	5	218.196	2.4e-05	Basic nitrogen compounds
343	15	22	0	2	0	6	230.196	2.4e-05	Basic nitrogen compounds
344	16	22	0	2	0	7	242.196	5.1e-05	Basic nitrogen compounds
345	11	23	1	1	0	1	185.194	1.6e-05	Basic nitrogen compounds
346	12	23	1	1	0	2	197.194	1.6e-05	Basic nitrogen compounds
347	13	23	1	1	0	3	209.194	0.000711	Basic nitrogen compounds
348	14	23	1	1	0	4	221.194	0.000252	Basic nitrogen compounds
349	15	23	1	1	0	5	233.194	0.000125	Basic nitrogen compounds
350	16	23	1	1	0	6	245.194	0.000247	Basic nitrogen compounds
351	17	23	1	1	0	7	257.194	7.7e-05	Basic nitrogen compounds
352	18	23	1	1	0	8	269.194	4.5e-05	Basic nitrogen compounds
353	19	23	1	1	0	9	281.194	4.7e-05	Basic nitrogen compounds
354	20	23	1	1	0	10	293.194	4.4e-05	Basic nitrogen compounds
355	21	23	1	1	0	11	305.194	3.5e-05	Basic nitrogen compounds
356	22	23	1	1	0	12	317.194	3.3e-05	Basic nitrogen compounds
357	15	23	0	1	1	5	249.254	0.000164	Basic nitrogen compounds
358	16	23	0	1	1	6	261.254	0.001032	Basic nitrogen compounds
359	17	23	0	1	1	7	273.254	0.000112	Basic nitrogen compounds
360	18	23	0	1	1	8	285.254	3.2e-05	Basic nitrogen compounds
361	19	23	0	1	1	9	297.254	0.000122	Basic nitrogen compounds
362	20	23	0	1	1	10	309.254	7.4e-05	Basic nitrogen compounds
363	21	23	0	1	1	11	321.254	4.3e-05	Basic nitrogen compounds
364	22	23	0	1	1	12	333.254	3.2e-05	Basic nitrogen compounds
365	23	23	0	1	1	13	345.254	3.6e-05	Basic nitrogen compounds
366	24	23	0	1	1	14	357.254	2.5e-05	Basic nitrogen compounds
367	14	23	0	1	0	4	205.194	0.001147	Basic nitrogen compounds
368	15	23	0	1	0	5	217.194	0.010369	Basic nitrogen compounds
369	16	23	0	1	0	6	229.194	0.014914	Basic nitrogen compounds
370	17	23	0	1	0	7	241.194	0.00597	Basic nitrogen compounds
371	18	23	0	1	0	8	253.194	0.001816	Basic nitrogen compounds
372	19	23	0	1	0	9	265.194	0.000446	Basic nitrogen compounds
373	20	23	0	1	0	10	277.194	0.000189	Basic nitrogen compounds
374	21	23	0	1	0	11	289.194	0.000148	Basic nitrogen compounds
375	22	23	0	1	0	12	301.194	8.9e-05	Basic nitrogen compounds
376	23	23	0	1	0	13	313.194	3.9e-05	Basic nitrogen compounds
377	24	23	0	1	0	14	325.194	2.7e-05	Basic nitrogen compounds
378	25	23	0	1	0	15	337.194	2.3e-05	Basic nitrogen compounds
379	15	24	0	2	0	5	232.212	1.5e-05	Basic nitrogen compounds
380	16	24	0	2	0	6	244.212	2.6e-05	Basic nitrogen compounds
381	17	24	0	2	0	7	256.212	2.6e-05	Basic nitrogen compounds
382	12	25	1	1	0	1	199.21	8.6e-05	Basic nitrogen compounds
383	13	25	1	1	0	2	211.21	2e-05	Basic nitrogen compounds
384	14	25	1	1	0	3	223.21	0.00017	Basic nitrogen compounds
385	15	25	1	1	0	4	235.21	0.000251	Basic nitrogen compounds
386	16	25	1	1	0	5	247.21	0.000122	Basic nitrogen compounds
387	17	25	1	1	0	6	259.21	0.000141	Basic nitrogen compounds
388	18	25	1	1	0	7	271.21	5e-05	Basic nitrogen compounds
389	19	25	1	1	0	8	283.21	2.9e-05	Basic nitrogen compounds
390	20	25	1	1	0	9	295.21	3.7e-05	Basic nitrogen compounds
391	21	25	1	1	0	10	307.21	4e-05	Basic nitrogen compounds
392	22	25	1	1	0	11	319.21	3.2e-05	Basic nitrogen compounds
393	23	25	1	1	0	12	331.21	3.5e-05	Basic nitrogen compounds
394	16	25	0	1	1	5	263.27	0.00011	Basic nitrogen compounds
395	17	25	0	1	1	6	275.27	0.000334	Basic nitrogen compounds
396	18	25	0	1	1	7	287.27	8.1e-05	Basic nitrogen compounds
397	19	25	0	1	1	8	299.27	3.7e-05	Basic nitrogen compounds
398	20	25	0	1	1	9	311.27	5.1e-05	Basic nitrogen compounds
399	21	25	0	1	1	10	323.27	7.8e-05	Basic nitrogen compounds
400	22	25	0	1	1	11	335.27	5.9e-05	Basic nitrogen compounds
401	23	25	0	1	1	12	347.27	4.9e-05	Basic nitrogen compounds
402	24	25	0	1	1	13	359.27	3.6e-05	Basic nitrogen compounds
403	25	25	0	1	1	14	371.27	2.9e-05	Basic nitrogen compounds
404	14	25	0	1	0	3	207.21	1.3e-05	Basic nitrogen compounds
405	15	25	0	1	0	4	219.21	0.00191	Basic nitrogen compounds
406	16	25	0	1	0	5	231.21	0.019759	Basic nitrogen compounds
407	17	25	0	1	0	6	243.21	0.012853	Basic nitrogen compounds
408	18	25	0	1	0	7	255.21	0.003124	Basic nitrogen compounds
409	19	25	0	1	0	8	267.21	0.001222	Basic nitrogen compounds
410	20	25	0	1	0	9	279.21	0.000353	Basic nitrogen compounds
411	21	25	0	1	0	10	291.21	0.000173	Basic nitrogen compounds
412	22	25	0	1	0	11	303.21	0.000134	Basic nitrogen compounds
413	23	25	0	1	0	12	315.21	9e-05	Basic nitrogen compounds
414	24	25	0	1	0	13	327.21	3.8e-05	Basic nitrogen compounds
415	25	25	0	1	0	14	339.21	2.5e-05	Basic nitrogen compounds
416	16	26	0	2	0	5	246.228	2.2e-05	Basic nitrogen compounds
417	17	26	0	2	0	6	258.228	3.7e-05	Basic nitrogen compounds
418	18	26	0	2	0	7	270.228	1.9e-05	Basic nitrogen compounds
419	13	27	1	1	0	1	213.226	2.8e-05	Basic nitrogen compounds
420	14	27	1	1	0	2	225.226	2.4e-05	Basic nitrogen compounds
421	15	27	1	1	0	3	237.226	0.000153	Basic nitrogen compounds
422	16	27	1	1	0	4	249.226	0.000135	Basic nitrogen compounds
423	17	27	1	1	0	5	261.226	6.6e-05	Basic nitrogen compounds
424	18	27	1	1	0	6	273.226	7.6e-05	Basic nitrogen compounds
425	19	27	1	1	0	7	285.226	4e-05	Basic nitrogen compounds
426	20	27	1	1	0	8	297.226	3.2e-05	Basic nitrogen compounds
427	21	27	1	1	0	9	309.226	3.4e-05	Basic nitrogen compounds
428	22	27	1	1	0	10	321.226	3.1e-05	Basic nitrogen compounds
429	23	27	1	1	0	11	333.226	3.5e-05	Basic nitrogen compounds
430	24	27	1	1	0	12	345.226	3.1e-05	Basic nitrogen compounds
431	17	27	0	1	1	5	277.286	3e-05	Basic nitrogen compounds
432	18	27	0	1	1	6	289.286	0.000175	Basic nitrogen compounds
433	19	27	0	1	1	7	301.286	4.5e-05	Basic nitrogen compounds
434	20	27	0	1	1	8	313.286	2.9e-05	Basic nitrogen compounds
435	21	27	0	1	1	9	325.286	5.6e-05	Basic nitrogen compounds
436	22	27	0	1	1	10	337.286	4.1e-05	Basic nitrogen compounds
437	23	27	0	1	1	11	349.286	4.9e-05	Basic nitrogen compounds
438	24	27	0	1	1	12	361.286	5.7e-05	Basic nitrogen compounds
439	15	27	0	1	0	3	221.226	1.7e-05	Basic nitrogen compounds
440	16	27	0	1	0	4	233.226	0.002047	Basic nitrogen compounds
441	17	27	0	1	0	5	245.226	0.013757	Basic nitrogen compounds
442	18	27	0	1	0	6	257.226	0.009651	Basic nitrogen compounds
443	19	27	0	1	0	7	269.226	0.001954	Basic nitrogen compounds
444	20	27	0	1	0	8	281.226	0.000549	Basic nitrogen compounds
445	21	27	0	1	0	9	293.226	0.000279	Basic nitrogen compounds
446	22	27	0	1	0	10	305.226	0.000186	Basic nitrogen compounds
447	23	27	0	1	0	11	317.226	9.8e-05	Basic nitrogen compounds
448	24	27	0	1	0	12	329.226	8e-05	Basic nitrogen compounds
449	25	27	0	1	0	13	341.226	3.3e-05	Basic nitrogen compounds
450	26	27	0	1	0	14	353.226	2.8e-05	Basic nitrogen compounds
451	27	27	0	1	0	15	365.226	2.5e-05	Basic nitrogen compounds
452	18	28	0	2	0	6	272.244	2e-05	Basic nitrogen compounds
453	14	29	1	1	0	1	227.242	5.8e-05	Basic nitrogen compounds
454	15	29	1	1	0	2	239.242	8.7e-05	Basic nitrogen compounds
455	16	29	1	1	0	3	251.242	7.6e-05	Basic nitrogen compounds
456	17	29	1	1	0	4	263.242	8.6e-05	Basic nitrogen compounds
457	18	29	1	1	0	5	275.242	3.7e-05	Basic nitrogen compounds
458	19	29	1	1	0	6	287.242	4.5e-05	Basic nitrogen compounds
459	20	29	1	1	0	7	299.242	2.7e-05	Basic nitrogen compounds
460	22	29	1	1	0	9	323.242	2.1e-05	Basic nitrogen compounds
461	23	29	1	1	0	10	335.242	3e-05	Basic nitrogen compounds
462	24	29	1	1	0	11	347.242	0.001165	Basic nitrogen compounds
463	25	29	1	1	0	12	359.242	2.5e-05	Basic nitrogen compounds
464	18	29	0	1	1	5	291.302	2e-05	Basic nitrogen compounds
465	19	29	0	1	1	6	303.302	7.3e-05	Basic nitrogen compounds
466	20	29	0	1	1	7	315.302	3e-05	Basic nitrogen compounds
467	21	29	0	1	1	8	327.302	2.5e-05	Basic nitrogen compounds
468	22	29	0	1	1	9	339.302	9.1e-05	Basic nitrogen compounds
469	23	29	0	1	1	10	351.302	6.1e-05	Basic nitrogen compounds
470	24	29	0	1	1	11	363.302	4.9e-05	Basic nitrogen compounds
471	25	29	0	1	1	12	375.302	3e-05	Basic nitrogen compounds
472	16	29	0	1	0	3	235.242	2.7e-05	Basic nitrogen compounds
473	17	29	0	1	0	4	247.242	0.001705	Basic nitrogen compounds
474	18	29	0	1	0	5	259.242	0.011175	Basic nitrogen compounds
475	19	29	0	1	0	6	271.242	0.002421	Basic nitrogen compounds
476	20	29	0	1	0	7	283.242	0.001034	Basic nitrogen compounds
477	21	29	0	1	0	8	295.242	0.000317	Basic nitrogen compounds
478	22	29	0	1	0	9	307.242	0.000196	Basic nitrogen compounds
479	23	29	0	1	0	10	319.242	0.000128	Basic nitrogen compounds
480	24	29	0	1	0	11	331.242	8.5e-05	Basic nitrogen compounds
481	25	29	0	1	0	12	343.242	7.1e-05	Basic nitrogen compounds
482	26	29	0	1	0	13	355.242	3.6e-05	Basic nitrogen compounds
483	15	31	1	1	0	1	241.258	7.3e-05	Basic nitrogen compounds
484	16	31	1	1	0	2	253.258	4.6e-05	Basic nitrogen compounds
485	17	31	1	1	0	3	265.258	3.8e-05	Basic nitrogen compounds
486	18	31	1	1	0	4	277.258	5.1e-05	Basic nitrogen compounds
487	19	31	1	1	0	5	289.258	4.3e-05	Basic nitrogen compounds
488	20	31	1	1	0	6	301.258	2.7e-05	Basic nitrogen compounds
489	21	31	1	1	0	7	313.258	2.6e-05	Basic nitrogen compounds
490	23	31	1	1	0	9	337.258	2.7e-05	Basic nitrogen compounds
491	24	31	1	1	0	10	349.258	2.5e-05	Basic nitrogen compounds
492	25	31	1	1	0	11	361.258	3e-05	Basic nitrogen compounds
493	20	31	0	1	1	6	317.318	4.2e-05	Basic nitrogen compounds
494	21	31	0	1	1	7	329.318	2.8e-05	Basic nitrogen compounds
495	22	31	0	1	1	8	341.318	4.1e-05	Basic nitrogen compounds
496	23	31	0	1	1	9	353.318	5.7e-05	Basic nitrogen compounds
497	24	31	0	1	1	10	365.318	8.2e-05	Basic nitrogen compounds
498	17	31	0	1	0	3	249.258	2.8e-05	Basic nitrogen compounds
499	18	31	0	1	0	4	261.258	0.001393	Basic nitrogen compounds
500	19	31	0	1	0	5	273.258	0.005313	Basic nitrogen compounds
501	20	31	0	1	0	6	285.258	0.001967	Basic nitrogen compounds
502	21	31	0	1	0	7	297.258	0.000533	Basic nitrogen compounds
503	22	31	0	1	0	8	309.258	0.000224	Basic nitrogen compounds
504	23	31	0	1	0	9	321.258	0.000136	Basic nitrogen compounds
505	24	31	0	1	0	10	333.258	0.000103	Basic nitrogen compounds
506	25	31	0	1	0	11	345.258	5.9e-05	Basic nitrogen compounds
507	26	31	0	1	0	12	357.258	5.2e-05	Basic nitrogen compounds
508	30	31	0	1	0	16	405.258	4.3e-05	Basic nitrogen compounds
509	16	33	1	1	0	1	255.274	0.000492	Basic nitrogen compounds
510	17	33	1	1	0	2	267.274	4.2e-05	Basic nitrogen compounds
511	18	33	1	1	0	3	279.274	2.8e-05	Basic nitrogen compounds
512	19	33	1	1	0	4	291.274	3.2e-05	Basic nitrogen compounds
513	20	33	1	1	0	5	303.274	2.5e-05	Basic nitrogen compounds
514	21	33	1	1	0	6	315.274	2.1e-05	Basic nitrogen compounds
515	22	33	1	1	0	7	327.274	3.3e-05	Basic nitrogen compounds
516	24	33	1	1	0	9	351.274	4.4e-05	Basic nitrogen compounds
517	25	33	1	1	0	10	363.274	2.6e-05	Basic nitrogen compounds
518	26	33	1	1	0	11	375.274	0.000106	Basic nitrogen compounds
519	21	33	0	1	1	6	331.334	2.4e-05	Basic nitrogen compounds
520	22	33	0	1	1	7	343.334	2.5e-05	Basic nitrogen compounds
521	23	33	0	1	1	8	355.334	3e-05	Basic nitrogen compounds
522	24	33	0	1	1	9	367.334	5.4e-05	Basic nitrogen compounds
523	25	33	0	1	1	10	379.334	6.1e-05	Basic nitrogen compounds
524	19	33	0	1	0	4	275.274	0.000947	Basic nitrogen compounds
525	20	33	0	1	0	5	287.274	0.00244	Basic nitrogen compounds
526	21	33	0	1	0	6	299.274	0.000856	Basic nitrogen compounds
527	22	33	0	1	0	7	311.274	0.000318	Basic nitrogen compounds
528	23	33	0	1	0	8	323.274	0.000176	Basic nitrogen compounds
529	24	33	0	1	0	9	335.274	0.000102	Basic nitrogen compounds
530	25	33	0	1	0	10	347.274	9.9e-05	Basic nitrogen compounds
531	26	33	0	1	0	11	359.274	4.7e-05	Basic nitrogen compounds
532	27	33	0	1	0	12	371.274	5.6e-05	Basic nitrogen compounds
533	29	33	0	1	0	14	395.274	4.5e-05	Basic nitrogen compounds
534	30	33	0	1	0	15	407.274	2.7e-05	Basic nitrogen compounds
535	31	33	0	1	0	16	419.274	3.1e-05	Basic nitrogen compounds
536	17	35	1	1	0	1	269.29	2.1e-05	Basic nitrogen compounds
537	18	35	1	1	0	2	281.29	3e-05	Basic nitrogen compounds
538	23	35	1	1	0	7	341.29	2.6e-05	Basic nitrogen compounds
539	27	35	1	1	0	11	389.29	4.1e-05	Basic nitrogen compounds
540	22	35	0	1	1	6	345.35	2.3e-05	Basic nitrogen compounds
541	25	35	0	1	1	9	381.35	3.3e-05	Basic nitrogen compounds
542	20	35	0	1	0	4	289.29	0.000475	Basic nitrogen compounds
543	21	35	0	1	0	5	301.29	0.000753	Basic nitrogen compounds
544	22	35	0	1	0	6	313.29	0.000382	Basic nitrogen compounds
545	23	35	0	1	0	7	325.29	0.000192	Basic nitrogen compounds
546	24	35	0	1	0	8	337.29	0.000107	Basic nitrogen compounds
547	25	35	0	1	0	9	349.29	8.9e-05	Basic nitrogen compounds
548	26	35	0	1	0	10	361.29	7e-05	Basic nitrogen compounds
549	27	35	0	1	0	11	373.29	4.2e-05	Basic nitrogen compounds
550	28	35	0	1	0	12	385.29	3.1e-05	Basic nitrogen compounds
551	30	35	0	1	0	14	409.29	3.6e-05	Basic nitrogen compounds
552	31	35	0	1	0	15	421.29	3.6e-05	Basic nitrogen compounds
553	18	37	1	1	0	1	283.306	0.000188	Basic nitrogen compounds
554	19	37	1	1	0	2	295.306	3.2e-05	Basic nitrogen compounds
555	28	37	1	1	0	11	403.306	0.001302	Basic nitrogen compounds
556	23	37	0	1	1	6	359.366	2.4e-05	Basic nitrogen compounds
557	21	37	0	1	0	4	303.306	0.000298	Basic nitrogen compounds
558	22	37	0	1	0	5	315.306	0.000299	Basic nitrogen compounds
559	23	37	0	1	0	6	327.306	0.000185	Basic nitrogen compounds
560	24	37	0	1	0	7	339.306	0.000143	Basic nitrogen compounds
561	25	37	0	1	0	8	351.306	0.000106	Basic nitrogen compounds
562	26	37	0	1	0	9	363.306	7.6e-05	Basic nitrogen compounds
563	27	37	0	1	0	10	375.306	4.6e-05	Basic nitrogen compounds
564	31	37	0	1	0	14	423.306	2.9e-05	Basic nitrogen compounds
565	19	39	1	1	0	1	297.322	3.7e-05	Basic nitrogen compounds
566	20	39	1	1	0	2	309.322	3.7e-05	Basic nitrogen compounds
567	29	39	1	1	0	11	417.322	3.2e-05	Basic nitrogen compounds
568	22	39	0	1	0	4	317.322	9.9e-05	Basic nitrogen compounds
569	23	39	0	1	0	5	329.322	0.000151	Basic nitrogen compounds
570	24	39	0	1	0	6	341.322	0.000109	Basic nitrogen compounds
571	25	39	0	1	0	7	353.322	0.000117	Basic nitrogen compounds
572	26	39	0	1	0	8	365.322	6.4e-05	Basic nitrogen compounds
573	20	41	1	1	0	1	311.338	2.4e-05	Basic nitrogen compounds
574	21	41	1	1	0	2	323.338	3.6e-05	Basic nitrogen compounds
575	30	41	1	1	0	11	431.338	6.4e-05	Basic nitrogen compounds
576	23	41	0	1	0	4	331.338	7e-05	Basic nitrogen compounds
577	24	41	0	1	0	5	343.338	7.3e-05	Basic nitrogen compounds
578	25	41	0	1	0	6	355.338	6.3e-05	Basic nitrogen compounds
579	26	41	0	1	0	7	367.338	8.2e-05	Basic nitrogen compounds
580	24	43	0	1	0	4	345.354	2.5e-05	Basic nitrogen compounds
581	25	43	0	1	0	5	357.354	5.2e-05	Basic nitrogen compounds
582	26	43	0	1	0	6	369.354	7.5e-05	Basic nitrogen compounds
583	26	45	0	1	0	5	371.37	3.6e-05	Basic nitrogen compounds
584	27	45	0	1	0	6	383.37	4.4e-05	Basic nitrogen compounds
585	17	13	0	1	0	12	231.114	0.017917	Neutral nitrogen compounds
586	12	15	0	1	0	6	173.13	0.028133	Neutral nitrogen compounds
587	15	15	0	1	0	9	209.13	0.385584	Neutral nitrogen compounds
588	16	15	0	1	0	10	221.13	0.006163	Neutral nitrogen compounds
589	18	15	0	1	0	12	245.13	0.014131	Neutral nitrogen compounds
590	13	17	0	1	0	6	187.146	0.025816	Neutral nitrogen compounds
591	14	17	0	1	0	7	199.146	0.013171	Neutral nitrogen compounds
592	16	17	0	1	0	9	223.146	0.169862	Neutral nitrogen compounds
593	19	17	0	1	0	12	259.146	0.016051	Neutral nitrogen compounds
594	14	19	0	1	0	6	201.162	0.024186	Neutral nitrogen compounds
595	15	19	0	1	0	7	213.162	0.056588	Neutral nitrogen compounds
596	17	19	0	1	0	9	237.162	0.075314	Neutral nitrogen compounds
597	20	19	0	1	0	12	273.162	0.006287	Neutral nitrogen compounds
598	15	21	0	1	0	6	215.178	0.040294	Neutral nitrogen compounds
599	16	21	0	1	0	7	227.178	0.058571	Neutral nitrogen compounds
600	17	21	0	1	0	8	239.178	0.011044	Neutral nitrogen compounds
601	18	21	0	1	0	9	251.178	0.01736	Neutral nitrogen compounds
602	16	23	0	1	0	6	229.194	0.028309	Neutral nitrogen compounds
603	17	23	0	1	0	7	241.194	0.060568	Neutral nitrogen compounds
604	18	23	0	1	0	8	253.194	0.013105	Neutral nitrogen compounds
605	19	23	0	1	0	9	265.194	0.007309	Neutral nitrogen compounds
606	17	25	0	1	0	6	243.21	0.023554	Neutral nitrogen compounds
607	18	25	0	1	0	7	255.21	0.060035	Neutral nitrogen compounds
608	19	25	0	1	0	8	267.21	0.008411	Neutral nitrogen compounds
609	18	27	0	1	0	6	257.226	0.023016	Neutral nitrogen compounds
610	19	27	0	1	0	7	269.226	0.040569	Neutral nitrogen compounds
611	20	27	0	1	0	8	281.226	0.00671	Neutral nitrogen compounds
612	19	29	0	1	0	6	271.242	0.007462	Neutral nitrogen compounds
613	20	29	0	1	0	7	283.242	0.026474	Neutral nitrogen compounds
614	21	31	0	1	0	7	297.258	0.007284	Neutral nitrogen compounds
615	13	14	0	0	1	7	202.172	0.000931	Sulfidic compounds
616	14	14	0	0	1	8	214.172	0.000314	Sulfidic compounds
617	15	14	0	0	1	9	226.172	0.002342	Sulfidic compounds
618	16	14	0	0	1	10	238.172	5.9e-05	Sulfidic compounds
619	17	14	0	0	1	11	250.172	2.6e-05	Sulfidic compounds
620	18	14	0	0	1	12	262.172	2.1e-05	Sulfidic compounds
621	19	14	0	0	1	13	274.172	4.8e-05	Sulfidic compounds
622	9	16	0	0	1	2	156.188	2.4e-05	Sulfidic compounds
623	10	16	0	0	1	3	168.188	0.000669	Sulfidic compounds
624	11	16	0	0	1	4	180.188	0.000517	Sulfidic compounds
625	12	16	0	0	1	5	192.188	0.068023	Sulfidic compounds
626	13	16	0	0	1	6	204.188	0.058085	Sulfidic compounds
627	14	16	0	0	1	7	216.188	0.001698	Sulfidic compounds
628	15	16	0	0	1	8	228.188	0.000484	Sulfidic compounds
629	16	16	0	0	1	9	240.188	0.001126	Sulfidic compounds
630	17	16	0	0	1	10	252.188	0.000138	Sulfidic compounds
631	19	16	0	0	1	12	276.188	6.2e-05	Sulfidic compounds
632	20	16	0	0	1	13	288.188	0.000137	Sulfidic compounds
633	9	18	0	0	1	1	158.204	0.000275	Sulfidic compounds
634	10	18	0	0	1	2	170.204	0.005204	Sulfidic compounds
635	11	18	0	0	1	3	182.204	0.0077	Sulfidic compounds
636	12	18	0	0	1	4	194.204	0.003626	Sulfidic compounds
637	13	18	0	0	1	5	206.204	0.137292	Sulfidic compounds
638	14	18	0	0	1	6	218.204	0.071759	Sulfidic compounds
639	15	18	0	0	1	7	230.204	0.002907	Sulfidic compounds
640	16	18	0	0	1	8	242.204	0.000685	Sulfidic compounds
641	17	18	0	0	1	9	254.204	0.000704	Sulfidic compounds
642	18	18	0	0	1	10	266.204	8.8e-05	Sulfidic compounds
643	19	18	0	0	1	11	278.204	0.000163	Sulfidic compounds
644	20	18	0	0	1	12	290.204	0.00046	Sulfidic compounds
645	10	20	0	0	1	1	172.22	0.008605	Sulfidic compounds
646	11	20	0	0	1	2	184.22	0.029164	Sulfidic compounds
647	12	20	0	0	1	3	196.22	0.036354	Sulfidic compounds
648	13	20	0	0	1	4	208.22	0.018137	Sulfidic compounds
649	14	20	0	0	1	5	220.22	0.167443	Sulfidic compounds
650	15	20	0	0	1	6	232.22	0.073874	Sulfidic compounds
651	16	20	0	0	1	7	244.22	0.00493	Sulfidic compounds
652	17	20	0	0	1	8	256.22	0.000794	Sulfidic compounds
653	18	20	0	0	1	9	268.22	0.000637	Sulfidic compounds
654	19	20	0	0	1	10	280.22	0.000795	Sulfidic compounds
655	20	20	0	0	1	11	292.22	0.0001	Sulfidic compounds
656	21	20	0	0	1	12	304.22	8.2e-05	Sulfidic compounds
657	10	22	0	0	1	0	174.236	0.000212	Sulfidic compounds
658	11	22	0	0	1	1	186.236	0.033072	Sulfidic compounds
659	12	22	0	0	1	2	198.236	0.074195	Sulfidic compounds
660	13	22	0	0	1	3	210.236	0.118597	Sulfidic compounds
661	14	22	0	0	1	4	222.236	0.046057	Sulfidic compounds
662	15	22	0	0	1	5	234.236	0.139259	Sulfidic compounds
663	16	22	0	0	1	6	246.236	0.061718	Sulfidic compounds
664	17	22	0	0	1	7	258.236	0.00869	Sulfidic compounds
665	18	22	0	0	1	8	270.236	0.00139	Sulfidic compounds
666	19	22	0	0	1	9	282.236	0.00124	Sulfidic compounds
667	20	22	0	0	1	10	294.236	0.00033	Sulfidic compounds
668	21	22	0	0	1	11	306.236	2.6e-05	Sulfidic compounds
669	22	22	0	0	1	12	318.236	0.00013	Sulfidic compounds
670	11	24	0	0	1	0	188.252	0.000537	Sulfidic compounds
671	12	24	0	0	1	1	200.252	0.092484	Sulfidic compounds
672	13	24	0	0	1	2	212.252	0.211997	Sulfidic compounds
673	14	24	0	0	1	3	224.252	0.197661	Sulfidic compounds
674	15	24	0	0	1	4	236.252	0.068081	Sulfidic compounds
675	16	24	0	0	1	5	248.252	0.083119	Sulfidic compounds
676	17	24	0	0	1	6	260.252	0.039972	Sulfidic compounds
677	18	24	0	0	1	7	272.252	0.011018	Sulfidic compounds
678	19	24	0	0	1	8	284.252	0.001181	Sulfidic compounds
679	20	24	0	0	1	9	296.252	0.001045	Sulfidic compounds
680	21	24	0	0	1	10	308.252	0.000529	Sulfidic compounds
681	22	24	0	0	1	11	320.252	5e-05	Sulfidic compounds
682	23	24	0	0	1	12	332.252	0.000206	Sulfidic compounds
683	12	26	0	0	1	0	202.268	0.001406	Sulfidic compounds
684	13	26	0	0	1	1	214.268	0.219048	Sulfidic compounds
685	14	26	0	0	1	2	226.268	0.223863	Sulfidic compounds
686	15	26	0	0	1	3	238.268	0.224223	Sulfidic compounds
687	16	26	0	0	1	4	250.268	0.062164	Sulfidic compounds
688	17	26	0	0	1	5	262.268	0.03679	Sulfidic compounds
689	18	26	0	0	1	6	274.268	0.027396	Sulfidic compounds
690	19	26	0	0	1	7	286.268	0.011086	Sulfidic compounds
691	20	26	0	0	1	8	298.268	0.001353	Sulfidic compounds
692	21	26	0	0	1	9	310.268	0.001387	Sulfidic compounds
693	22	26	0	0	1	10	322.268	0.00105	Sulfidic compounds
694	23	26	0	0	1	11	334.268	0.000209	Sulfidic compounds
695	24	26	0	0	1	12	346.268	0.001351	Sulfidic compounds
696	25	26	0	0	1	13	358.268	5.1e-05	Sulfidic compounds
697	26	26	0	0	1	14	370.268	9.8e-05	Sulfidic compounds
698	13	28	0	0	1	0	216.284	0.003193	Sulfidic compounds
699	14	28	0	0	1	1	228.284	0.3204	Sulfidic compounds
700	15	28	0	0	1	2	240.284	0.212519	Sulfidic compounds
701	16	28	0	0	1	3	252.284	0.159595	Sulfidic compounds
702	17	28	0	0	1	4	264.284	0.035882	Sulfidic compounds
703	18	28	0	0	1	5	276.284	0.016273	Sulfidic compounds
704	19	28	0	0	1	6	288.284	0.018391	Sulfidic compounds
705	20	28	0	0	1	7	300.284	0.009664	Sulfidic compounds
706	21	28	0	0	1	8	312.284	0.0014	Sulfidic compounds
707	22	28	0	0	1	9	324.284	0.001694	Sulfidic compounds
708	23	28	0	0	1	10	336.284	0.002205	Sulfidic compounds
709	24	28	0	0	1	11	348.284	0.000755	Sulfidic compounds
710	25	28	0	0	1	12	360.284	0.002489	Sulfidic compounds
711	26	28	0	0	1	13	372.284	0.000381	Sulfidic compounds
712	27	28	0	0	1	14	384.284	0.000112	Sulfidic compounds
713	14	30	0	0	1	0	230.3	0.005933	Sulfidic compounds
714	15	30	0	0	1	1	242.3	0.280405	Sulfidic compounds
715	16	30	0	0	1	2	254.3	0.137501	Sulfidic compounds
716	17	30	0	0	1	3	266.3	0.07189	Sulfidic compounds
717	18	30	0	0	1	4	278.3	0.018164	Sulfidic compounds
718	19	30	0	0	1	5	290.3	0.008148	Sulfidic compounds
719	20	30	0	0	1	6	302.3	0.01209	Sulfidic compounds
720	21	30	0	0	1	7	314.3	0.007507	Sulfidic compounds
721	22	30	0	0	1	8	326.3	0.001718	Sulfidic compounds
722	23	30	0	0	1	9	338.3	0.001914	Sulfidic compounds
723	24	30	0	0	1	10	350.3	0.0038	Sulfidic compounds
724	25	30	0	0	1	11	362.3	0.00172	Sulfidic compounds
725	26	30	0	0	1	12	374.3	0.004568	Sulfidic compounds
726	27	30	0	0	1	13	386.3	0.000758	Sulfidic compounds
727	28	30	0	0	1	14	398.3	0.000378	Sulfidic compounds
728	15	32	0	0	1	0	244.316	0.007549	Sulfidic compounds
729	16	32	0	0	1	1	256.316	0.154959	Sulfidic compounds
730	17	32	0	0	1	2	268.316	0.058284	Sulfidic compounds
731	18	32	0	0	1	3	280.316	0.030829	Sulfidic compounds
732	19	32	0	0	1	4	292.316	0.008345	Sulfidic compounds
733	20	32	0	0	1	5	304.316	0.004482	Sulfidic compounds
734	21	32	0	0	1	6	316.316	0.008617	Sulfidic compounds
735	22	32	0	0	1	7	328.316	0.006267	Sulfidic compounds
736	23	32	0	0	1	8	340.316	0.001855	Sulfidic compounds
737	24	32	0	0	1	9	352.316	0.001951	Sulfidic compounds
738	25	32	0	0	1	10	364.316	0.004834	Sulfidic compounds
739	26	32	0	0	1	11	376.316	0.003058	Sulfidic compounds
740	27	32	0	0	1	12	388.316	0.007085	Sulfidic compounds
741	28	32	0	0	1	13	400.316	0.001319	Sulfidic compounds
742	29	32	0	0	1	14	412.316	0.000925	Sulfidic compounds
743	30	32	0	0	1	15	424.316	4.2e-05	Sulfidic compounds
744	16	34	0	0	1	0	258.332	0.005514	Sulfidic compounds
745	17	34	0	0	1	1	270.332	0.062346	Sulfidic compounds
746	18	34	0	0	1	2	282.332	0.023227	Sulfidic compounds
747	19	34	0	0	1	3	294.332	0.011885	Sulfidic compounds
748	20	34	0	0	1	4	306.332	0.004323	Sulfidic compounds
749	21	34	0	0	1	5	318.332	0.003173	Sulfidic compounds
750	22	34	0	0	1	6	330.332	0.005746	Sulfidic compounds
751	23	34	0	0	1	7	342.332	0.005017	Sulfidic compounds
752	24	34	0	0	1	8	354.332	0.00181	Sulfidic compounds
753	25	34	0	0	1	9	366.332	0.001892	Sulfidic compounds
754	26	34	0	0	1	10	378.332	0.004825	Sulfidic compounds
755	27	34	0	0	1	11	390.332	0.004058	Sulfidic compounds
756	28	34	0	0	1	12	402.332	0.007795	Sulfidic compounds
757	29	34	0	0	1	13	414.332	0.002193	Sulfidic compounds
758	30	34	0	0	1	14	426.332	0.001149	Sulfidic compounds
759	31	34	0	0	1	15	438.332	8.5e-05	Sulfidic compounds
760	17	36	0	0	1	0	272.348	0.002502	Sulfidic compounds
761	18	36	0	0	1	1	284.348	0.024014	Sulfidic compounds
762	19	36	0	0	1	2	296.348	0.008234	Sulfidic compounds
763	20	36	0	0	1	3	308.348	0.00489	Sulfidic compounds
764	21	36	0	0	1	4	320.348	0.00244	Sulfidic compounds
765	22	36	0	0	1	5	332.348	0.002144	Sulfidic compounds
766	23	36	0	0	1	6	344.348	0.003667	Sulfidic compounds
767	24	36	0	0	1	7	356.348	0.003502	Sulfidic compounds
768	25	36	0	0	1	8	368.348	0.001612	Sulfidic compounds
769	26	36	0	0	1	9	380.348	0.00218	Sulfidic compounds
770	27	36	0	0	1	10	392.348	0.004159	Sulfidic compounds
771	28	36	0	0	1	11	404.348	0.004145	Sulfidic compounds
772	29	36	0	0	1	12	416.348	0.007097	Sulfidic compounds
773	30	36	0	0	1	13	428.348	0.002466	Sulfidic compounds
774	31	36	0	0	1	14	440.348	0.001358	Sulfidic compounds
775	32	36	0	0	1	15	452.348	0.000278	Sulfidic compounds
776	18	38	0	0	1	0	286.364	0.000974	Sulfidic compounds
777	19	38	0	0	1	1	298.364	0.008962	Sulfidic compounds
778	20	38	0	0	1	2	310.364	0.003633	Sulfidic compounds
779	21	38	0	0	1	3	322.364	0.002443	Sulfidic compounds
780	22	38	0	0	1	4	334.364	0.001602	Sulfidic compounds
781	23	38	0	0	1	5	346.364	0.001535	Sulfidic compounds
782	24	38	0	0	1	6	358.364	0.002442	Sulfidic compounds
783	25	38	0	0	1	7	370.364	0.002307	Sulfidic compounds
784	26	38	0	0	1	8	382.364	0.001344	Sulfidic compounds
785	27	38	0	0	1	9	394.364	0.002116	Sulfidic compounds
786	28	38	0	0	1	10	406.364	0.003074	Sulfidic compounds
787	29	38	0	0	1	11	418.364	0.003372	Sulfidic compounds
788	30	38	0	0	1	12	430.364	0.00601	Sulfidic compounds
789	31	38	0	0	1	13	442.364	0.002617	Sulfidic compounds
790	32	38	0	0	1	14	454.364	0.001447	Sulfidic compounds
791	33	38	0	0	1	15	466.364	0.000304	Sulfidic compounds
792	19	40	0	0	1	0	300.38	0.000479	Sulfidic compounds
793	20	40	0	0	1	1	312.38	0.004564	Sulfidic compounds
794	21	40	0	0	1	2	324.38	0.001957	Sulfidic compounds
795	22	40	0	0	1	3	336.38	0.001413	Sulfidic compounds
796	23	40	0	0	1	4	348.38	0.001017	Sulfidic compounds
797	24	40	0	0	1	5	360.38	0.001205	Sulfidic compounds
798	25	40	0	0	1	6	372.38	0.001815	Sulfidic compounds
799	26	40	0	0	1	7	384.38	0.001861	Sulfidic compounds
800	27	40	0	0	1	8	396.38	0.001103	Sulfidic compounds
801	28	40	0	0	1	9	408.38	0.001827	Sulfidic compounds
802	29	40	0	0	1	10	420.38	0.002039	Sulfidic compounds
803	30	40	0	0	1	11	432.38	0.002417	Sulfidic compounds
804	31	40	0	0	1	12	444.38	0.004468	Sulfidic compounds
805	32	40	0	0	1	13	456.38	0.002176	Sulfidic compounds
806	33	40	0	0	1	14	468.38	0.001187	Sulfidic compounds
807	34	40	0	0	1	15	480.38	0.000459	Sulfidic compounds
808	35	40	0	0	1	16	492.38	3.8e-05	Sulfidic compounds
809	20	42	0	0	1	0	314.396	0.00018	Sulfidic compounds
810	21	42	0	0	1	1	326.396	0.00281	Sulfidic compounds
811	22	42	0	0	1	2	338.396	0.001437	Sulfidic compounds
812	23	42	0	0	1	3	350.396	0.001005	Sulfidic compounds
813	24	42	0	0	1	4	362.396	0.000814	Sulfidic compounds
814	25	42	0	0	1	5	374.396	0.001018	Sulfidic compounds
815	26	42	0	0	1	6	386.396	0.001389	Sulfidic compounds
816	27	42	0	0	1	7	398.396	0.0016	Sulfidic compounds
817	28	42	0	0	1	8	410.396	0.000991	Sulfidic compounds
818	29	42	0	0	1	9	422.396	0.001362	Sulfidic compounds
819	30	42	0	0	1	10	434.396	0.001498	Sulfidic compounds
820	31	42	0	0	1	11	446.396	0.00156	Sulfidic compounds
821	32	42	0	0	1	12	458.396	0.002963	Sulfidic compounds
822	33	42	0	0	1	13	470.396	0.001776	Sulfidic compounds
823	34	42	0	0	1	14	482.396	0.000988	Sulfidic compounds
824	35	42	0	0	1	15	494.396	0.000446	Sulfidic compounds
825	36	42	0	0	1	16	506.396	9.9e-05	Sulfidic compounds
826	21	44	0	0	1	0	328.412	0.000102	Sulfidic compounds
827	22	44	0	0	1	1	340.412	0.00213	Sulfidic compounds
828	23	44	0	0	1	2	352.412	0.001056	Sulfidic compounds
829	24	44	0	0	1	3	364.412	0.000823	Sulfidic compounds
830	25	44	0	0	1	4	376.412	0.000564	Sulfidic compounds
831	26	44	0	0	1	5	388.412	0.000848	Sulfidic compounds
832	27	44	0	0	1	6	400.412	0.001181	Sulfidic compounds
833	28	44	0	0	1	7	412.412	0.001228	Sulfidic compounds
834	29	44	0	0	1	8	424.412	0.000872	Sulfidic compounds
835	30	44	0	0	1	9	436.412	0.001011	Sulfidic compounds
836	31	44	0	0	1	10	448.412	0.001017	Sulfidic compounds
837	32	44	0	0	1	11	460.412	0.000968	Sulfidic compounds
838	33	44	0	0	1	12	472.412	0.001942	Sulfidic compounds
839	34	44	0	0	1	13	484.412	0.001419	Sulfidic compounds
840	35	44	0	0	1	14	496.412	0.00083	Sulfidic compounds
841	36	44	0	0	1	15	508.412	0.000408	Sulfidic compounds
842	37	44	0	0	1	16	520.412	0.000115	Sulfidic compounds
843	22	46	0	0	1	0	342.428	2.9e-05	Sulfidic compounds
844	23	46	0	0	1	1	354.428	0.001755	Sulfidic compounds
845	24	46	0	0	1	2	366.428	0.000791	Sulfidic compounds
846	25	46	0	0	1	3	378.428	0.000688	Sulfidic compounds
847	26	46	0	0	1	4	390.428	0.000483	Sulfidic compounds
848	27	46	0	0	1	5	402.428	0.000926	Sulfidic compounds
849	28	46	0	0	1	6	414.428	0.000924	Sulfidic compounds
850	29	46	0	0	1	7	426.428	0.001204	Sulfidic compounds
851	30	46	0	0	1	8	438.428	0.000745	Sulfidic compounds
852	31	46	0	0	1	9	450.428	0.00065	Sulfidic compounds
853	32	46	0	0	1	10	462.428	0.000543	Sulfidic compounds
854	33	46	0	0	1	11	474.428	0.000618	Sulfidic compounds
855	34	46	0	0	1	12	486.428	0.001374	Sulfidic compounds
856	35	46	0	0	1	13	498.428	0.001059	Sulfidic compounds
857	36	46	0	0	1	14	510.428	0.000642	Sulfidic compounds
858	37	46	0	0	1	15	522.428	0.000341	Sulfidic compounds
859	38	46	0	0	1	16	534.428	0.000192	Sulfidic compounds
860	24	48	0	0	1	1	368.444	0.001215	Sulfidic compounds
861	25	48	0	0	1	2	380.444	0.0007	Sulfidic compounds
862	26	48	0	0	1	3	392.444	0.000449	Sulfidic compounds
863	27	48	0	0	1	4	404.444	0.000449	Sulfidic compounds
864	28	48	0	0	1	5	416.444	0.000811	Sulfidic compounds
865	29	48	0	0	1	6	428.444	0.000901	Sulfidic compounds
866	30	48	0	0	1	7	440.444	0.000917	Sulfidic compounds
867	31	48	0	0	1	8	452.444	0.000522	Sulfidic compounds
868	32	48	0	0	1	9	464.444	0.000449	Sulfidic compounds
869	33	48	0	0	1	10	476.444	0.000424	Sulfidic compounds
870	34	48	0	0	1	11	488.444	0.000292	Sulfidic compounds
871	35	48	0	0	1	12	500.444	0.000929	Sulfidic compounds
872	36	48	0	0	1	13	512.444	0.000766	Sulfidic compounds
873	37	48	0	0	1	14	524.444	0.000607	Sulfidic compounds
874	38	48	0	0	1	15	536.444	0.000331	Sulfidic compounds
875	39	48	0	0	1	16	548.444	0.000188	Sulfidic compounds
876	25	50	0	0	1	1	382.46	0.001093	Sulfidic compounds
877	26	50	0	0	1	2	394.46	0.000572	Sulfidic compounds
878	27	50	0	0	1	3	406.46	0.000368	Sulfidic compounds
879	28	50	0	0	1	4	418.46	0.000372	Sulfidic compounds
880	29	50	0	0	1	5	430.46	0.000795	Sulfidic compounds
881	30	50	0	0	1	6	442.46	0.000789	Sulfidic compounds
882	31	50	0	0	1	7	454.46	0.000648	Sulfidic compounds
883	32	50	0	0	1	8	466.46	0.000324	Sulfidic compounds
884	33	50	0	0	1	9	478.46	0.0003	Sulfidic compounds
885	34	50	0	0	1	10	490.46	0.000235	Sulfidic compounds
886	35	50	0	0	1	11	502.46	0.000258	Sulfidic compounds
887	36	50	0	0	1	12	514.46	0.000702	Sulfidic compounds
888	37	50	0	0	1	13	526.46	0.000452	Sulfidic compounds
889	38	50	0	0	1	14	538.46	0.000418	Sulfidic compounds
890	39	50	0	0	1	15	550.46	0.00037	Sulfidic compounds
891	40	50	0	0	1	16	562.46	0.000209	Sulfidic compounds
892	26	52	0	0	1	1	396.476	0.000769	Sulfidic compounds
893	27	52	0	0	1	2	408.476	0.000496	Sulfidic compounds
894	28	52	0	0	1	3	420.476	0.00026	Sulfidic compounds
895	29	52	0	0	1	4	432.476	0.000309	Sulfidic compounds
896	30	52	0	0	1	5	444.476	0.000646	Sulfidic compounds
897	31	52	0	0	1	6	456.476	0.000706	Sulfidic compounds
898	32	52	0	0	1	7	468.476	0.000523	Sulfidic compounds
899	33	52	0	0	1	8	480.476	0.000265	Sulfidic compounds
900	34	52	0	0	1	9	492.476	0.00013	Sulfidic compounds
901	35	52	0	0	1	10	504.476	0.000118	Sulfidic compounds
902	36	52	0	0	1	11	516.476	0.00016	Sulfidic compounds
903	37	52	0	0	1	12	528.476	0.000416	Sulfidic compounds
904	38	52	0	0	1	13	540.476	0.000306	Sulfidic compounds
905	39	52	0	0	1	14	552.476	0.000381	Sulfidic compounds
906	40	52	0	0	1	15	564.476	0.000326	Sulfidic compounds
907	27	54	0	0	1	1	410.492	0.000639	Sulfidic compounds
908	28	54	0	0	1	2	422.492	0.000423	Sulfidic compounds
909	29	54	0	0	1	3	434.492	0.000263	Sulfidic compounds
910	30	54	0	0	1	4	446.492	0.000223	Sulfidic compounds
911	31	54	0	0	1	5	458.492	0.000665	Sulfidic compounds
912	32	54	0	0	1	6	470.492	0.000486	Sulfidic compounds
913	33	54	0	0	1	7	482.492	0.000392	Sulfidic compounds
914	34	54	0	0	1	8	494.492	0.00017	Sulfidic compounds
915	35	54	0	0	1	9	506.492	8.1e-05	Sulfidic compounds
916	36	54	0	0	1	10	518.492	9e-05	Sulfidic compounds
917	37	54	0	0	1	11	530.492	9.1e-05	Sulfidic compounds
918	38	54	0	0	1	12	542.492	0.000363	Sulfidic compounds
919	39	54	0	0	1	13	554.492	0.000131	Sulfidic compounds
920	40	54	0	0	1	14	566.492	0.000146	Sulfidic compounds
921	28	56	0	0	1	1	424.508	0.000534	Sulfidic compounds
922	29	56	0	0	1	2	436.508	0.000312	Sulfidic compounds
923	30	56	0	0	1	3	448.508	0.000118	Sulfidic compounds
924	31	56	0	0	1	4	460.508	0.000183	Sulfidic compounds
925	32	56	0	0	1	5	472.508	0.000374	Sulfidic compounds
926	33	56	0	0	1	6	484.508	0.000405	Sulfidic compounds
927	34	56	0	0	1	7	496.508	0.000148	Sulfidic compounds
928	35	56	0	0	1	8	508.508	0.000139	Sulfidic compounds
929	37	56	0	0	1	10	532.508	4.8e-05	Sulfidic compounds
930	38	56	0	0	1	11	544.508	0.0001	Sulfidic compounds
931	39	56	0	0	1	12	556.508	0.000104	Sulfidic compounds
932	40	56	0	0	1	13	568.508	7.8e-05	Sulfidic compounds
933	29	58	0	0	1	1	438.524	0.000437	Sulfidic compounds
934	30	58	0	0	1	2	450.524	0.00026	Sulfidic compounds
935	31	58	0	0	1	3	462.524	0.000142	Sulfidic compounds
936	32	58	0	0	1	4	474.524	8.9e-05	Sulfidic compounds
937	33	58	0	0	1	5	486.524	0.000329	Sulfidic compounds
938	34	58	0	0	1	6	498.524	0.000288	Sulfidic compounds
939	35	58	0	0	1	7	510.524	0.000173	Sulfidic compounds
940	36	58	0	0	1	8	522.524	8.4e-05	Sulfidic compounds
941	38	58	0	0	1	10	546.524	3.9e-05	Sulfidic compounds
942	40	58	0	0	1	12	570.524	0.000123	Sulfidic compounds
943	30	60	0	0	1	1	452.54	0.000422	Sulfidic compounds
944	31	60	0	0	1	2	464.54	0.000154	Sulfidic compounds
945	32	60	0	0	1	3	476.54	7.1e-05	Sulfidic compounds
946	33	60	0	0	1	4	488.54	0.000127	Sulfidic compounds
947	34	60	0	0	1	5	500.54	0.000194	Sulfidic compounds
948	35	60	0	0	1	6	512.54	0.00014	Sulfidic compounds
949	36	60	0	0	1	7	524.54	0.000186	Sulfidic compounds
950	37	60	0	0	1	8	536.54	5.2e-05	Sulfidic compounds
951	31	62	0	0	1	1	466.556	0.00035	Sulfidic compounds
952	32	62	0	0	1	2	478.556	0.000145	Sulfidic compounds
953	33	62	0	0	1	3	490.556	3.8e-05	Sulfidic compounds
954	34	62	0	0	1	4	502.556	0.000111	Sulfidic compounds
955	35	62	0	0	1	5	514.556	6.6e-05	Sulfidic compounds
956	36	62	0	0	1	6	526.556	0.000104	Sulfidic compounds
957	37	62	0	0	1	7	538.556	5.7e-05	Sulfidic compounds
958	32	64	0	0	1	1	480.572	0.000385	Sulfidic compounds
959	33	64	0	0	1	2	492.572	6e-05	Sulfidic compounds
960	34	64	0	0	1	3	504.572	5.6e-05	Sulfidic compounds
961	35	64	0	0	1	4	516.572	5.9e-05	Sulfidic compounds
962	36	64	0	0	1	5	528.572	8e-05	Sulfidic compounds
963	33	66	0	0	1	1	494.588	0.000142	Sulfidic compounds
964	34	66	0	0	1	2	506.588	8.2e-05	Sulfidic compounds
965	37	66	0	0	1	5	542.588	6e-05	Sulfidic compounds
966	34	68	0	0	1	1	508.604	0.000125	Sulfidic compounds
967	35	70	0	0	1	1	522.62	0.000134	Sulfidic compounds
968	36	72	0	0	1	1	536.636	0.000103	Sulfidic compounds
969	37	74	0	0	1	1	550.652	0.000111	Sulfidic compounds
970	38	76	0	0	1	1	564.668	4.6e-05	Sulfidic compounds
971	12	10	0	0	1	8	186.14	0.047344	Thiophenic compounds
972	13	10	0	0	1	9	198.14	0.057565	Thiophenic compounds
973	14	10	0	0	1	10	210.14	0.005519	Thiophenic compounds
974	15	10	0	0	1	11	222.14	0.001183	Thiophenic compounds
975	16	10	0	0	1	12	234.14	0.000337	Thiophenic compounds
976	17	10	0	0	1	13	246.14	0.000994	Thiophenic compounds
977	10	12	0	0	1	5	164.156	0.000152	Thiophenic compounds
978	11	12	0	0	1	6	176.156	0.149352	Thiophenic compounds
979	12	12	0	0	1	7	188.156	0.009151	Thiophenic compounds
980	13	12	0	0	1	8	200.156	0.024345	Thiophenic compounds
981	14	12	0	0	1	9	212.156	0.058207	Thiophenic compounds
982	15	12	0	0	1	10	224.156	0.016429	Thiophenic compounds
983	16	12	0	0	1	11	236.156	0.002734	Thiophenic compounds
984	17	12	0	0	1	12	248.156	0.003487	Thiophenic compounds
985	18	12	0	0	1	13	260.156	0.000827	Thiophenic compounds
986	19	12	0	0	1	14	272.156	0.001625	Thiophenic compounds
987	11	14	0	0	1	5	178.172	0.000344	Thiophenic compounds
988	12	14	0	0	1	6	190.172	0.464346	Thiophenic compounds
989	13	14	0	0	1	7	202.172	0.039775	Thiophenic compounds
990	14	14	0	0	1	8	214.172	0.004384	Thiophenic compounds
991	15	14	0	0	1	9	226.172	0.050524	Thiophenic compounds
992	16	14	0	0	1	10	238.172	0.006901	Thiophenic compounds
993	17	14	0	0	1	11	250.172	0.00434	Thiophenic compounds
994	18	14	0	0	1	12	262.172	0.004245	Thiophenic compounds
995	19	14	0	0	1	13	274.172	0.007735	Thiophenic compounds
996	20	14	0	0	1	14	286.172	0.000398	Thiophenic compounds
997	11	16	0	0	1	4	180.188	0.000443	Thiophenic compounds
998	12	16	0	0	1	5	192.188	0.006712	Thiophenic compounds
999	13	16	0	0	1	6	204.188	0.7911	Thiophenic compounds
1000	14	16	0	0	1	7	216.188	0.033107	Thiophenic compounds
1001	15	16	0	0	1	8	228.188	0.00632	Thiophenic compounds
1002	16	16	0	0	1	9	240.188	0.040075	Thiophenic compounds
1003	17	16	0	0	1	10	252.188	0.010123	Thiophenic compounds
1004	18	16	0	0	1	11	264.188	0.005125	Thiophenic compounds
1005	19	16	0	0	1	12	276.188	0.011627	Thiophenic compounds
1006	20	16	0	0	1	13	288.188	0.008517	Thiophenic compounds
1007	21	16	0	0	1	14	300.188	0.000608	Thiophenic compounds
1008	11	18	0	0	1	3	182.204	0.000358	Thiophenic compounds
1009	12	18	0	0	1	4	194.204	0.001111	Thiophenic compounds
1010	13	18	0	0	1	5	206.204	0.009396	Thiophenic compounds
1011	14	18	0	0	1	6	218.204	0.84941	Thiophenic compounds
1012	15	18	0	0	1	7	230.204	0.045004	Thiophenic compounds
1013	16	18	0	0	1	8	242.204	0.010066	Thiophenic compounds
1014	17	18	0	0	1	9	254.204	0.029789	Thiophenic compounds
1015	18	18	0	0	1	10	266.204	0.009932	Thiophenic compounds
1016	19	18	0	0	1	11	278.204	0.012646	Thiophenic compounds
1017	20	18	0	0	1	12	290.204	0.028249	Thiophenic compounds
1018	21	18	0	0	1	13	302.204	0.003659	Thiophenic compounds
1019	22	18	0	0	1	14	314.204	0.001956	Thiophenic compounds
1020	12	20	0	0	1	3	196.22	0.001033	Thiophenic compounds
1021	13	20	0	0	1	4	208.22	0.003863	Thiophenic compounds
1022	14	20	0	0	1	5	220.22	0.015631	Thiophenic compounds
1023	15	20	0	0	1	6	232.22	0.611718	Thiophenic compounds
1024	16	20	0	0	1	7	244.22	0.051934	Thiophenic compounds
1025	16	20	0	0	2	7	276.28	0.000893	Thiophenic compounds
1026	17	20	0	0	1	8	256.22	0.009272	Thiophenic compounds
1027	18	20	0	0	1	9	268.22	0.025475	Thiophenic compounds
1028	19	20	0	0	1	10	280.22	0.047008	Thiophenic compounds
1029	20	20	0	0	1	11	292.22	0.010529	Thiophenic compounds
1030	21	20	0	0	1	12	304.22	0.007372	Thiophenic compounds
1031	22	20	0	0	1	13	316.22	0.001226	Thiophenic compounds
1032	23	20	0	0	1	14	328.22	0.000238	Thiophenic compounds
1033	13	22	0	0	1	3	210.236	0.003299	Thiophenic compounds
1034	14	22	0	0	1	4	222.236	0.006545	Thiophenic compounds
1035	15	22	0	0	1	5	234.236	0.019393	Thiophenic compounds
1036	16	22	0	0	1	6	246.236	0.418752	Thiophenic compounds
1037	17	22	0	0	1	7	258.236	0.104546	Thiophenic compounds
1038	17	22	0	0	2	7	290.296	0.000574	Thiophenic compounds
1039	18	22	0	0	1	8	270.236	0.022506	Thiophenic compounds
1040	19	22	0	0	1	9	282.236	0.046511	Thiophenic compounds
1041	20	22	0	0	1	10	294.236	0.013672	Thiophenic compounds
1042	21	22	0	0	1	11	306.236	0.005517	Thiophenic compounds
1043	22	22	0	0	1	12	318.236	0.007048	Thiophenic compounds
1044	23	22	0	0	1	13	330.236	0.001919	Thiophenic compounds
1045	22	22	0	0	2	12	350.296	0.000269	Thiophenic compounds
1046	24	22	0	0	1	14	342.236	0.001162	Thiophenic compounds
1047	13	24	0	0	1	2	212.252	0.000225	Thiophenic compounds
1048	14	24	0	0	1	3	224.252	0.007307	Thiophenic compounds
1049	15	24	0	0	1	4	236.252	0.011796	Thiophenic compounds
1050	16	24	0	0	1	5	248.252	0.014535	Thiophenic compounds
1051	17	24	0	0	1	6	260.252	0.352092	Thiophenic compounds
1052	18	24	0	0	1	7	272.252	0.143333	Thiophenic compounds
1053	18	24	0	0	2	7	304.312	0.000263	Thiophenic compounds
1054	19	24	0	0	1	8	284.252	0.014221	Thiophenic compounds
1055	19	24	0	0	2	8	316.312	0.00044	Thiophenic compounds
1056	20	24	0	0	1	9	296.252	0.015953	Thiophenic compounds
1057	21	24	0	0	1	10	308.252	0.012585	Thiophenic compounds
1058	20	24	0	0	2	9	328.312	0.000332	Thiophenic compounds
1059	22	24	0	0	1	11	320.252	0.005628	Thiophenic compounds
1060	23	24	0	0	1	12	332.252	0.00566	Thiophenic compounds
1061	24	24	0	0	1	13	344.252	0.001711	Thiophenic compounds
1062	23	24	0	0	2	12	364.312	0.002018	Thiophenic compounds
1063	25	24	0	0	1	14	356.252	0.001247	Thiophenic compounds
1064	13	26	0	0	1	1	214.268	0.000442	Thiophenic compounds
1065	14	26	0	0	1	2	226.268	0.000603	Thiophenic compounds
1066	15	26	0	0	1	3	238.268	0.011424	Thiophenic compounds
1067	16	26	0	0	1	4	250.268	0.010189	Thiophenic compounds
1068	17	26	0	0	1	5	262.268	0.008031	Thiophenic compounds
1069	18	26	0	0	1	6	274.268	0.272111	Thiophenic compounds
1070	19	26	0	0	1	7	286.268	0.151011	Thiophenic compounds
1071	19	26	0	0	2	7	318.328	0.000388	Thiophenic compounds
1072	20	26	0	0	1	8	298.268	0.019172	Thiophenic compounds
1073	20	26	0	0	2	8	330.328	0.001949	Thiophenic compounds
1074	21	26	0	0	1	9	310.268	0.019406	Thiophenic compounds
1075	22	26	0	0	1	10	322.268	0.012708	Thiophenic compounds
1076	21	26	0	0	2	9	342.328	0.000273	Thiophenic compounds
1077	23	26	0	0	1	11	334.268	0.006263	Thiophenic compounds
1078	24	26	0	0	1	12	346.268	0.005414	Thiophenic compounds
1079	23	26	0	0	2	11	366.328	0.000346	Thiophenic compounds
1080	25	26	0	0	1	13	358.268	0.002561	Thiophenic compounds
1081	24	26	0	0	2	12	378.328	0.003407	Thiophenic compounds
1082	26	26	0	0	1	14	370.268	0.008333	Thiophenic compounds
1083	14	28	0	0	1	1	228.284	0.00172	Thiophenic compounds
1084	15	28	0	0	1	2	240.284	0.001109	Thiophenic compounds
1085	16	28	0	0	1	3	252.284	0.009965	Thiophenic compounds
1086	17	28	0	0	1	4	264.284	0.006136	Thiophenic compounds
1087	18	28	0	0	1	5	276.284	0.005901	Thiophenic compounds
1088	19	28	0	0	1	6	288.284	0.18117	Thiophenic compounds
1089	20	28	0	0	1	7	300.284	0.153785	Thiophenic compounds
1090	21	28	0	0	1	8	312.284	0.028033	Thiophenic compounds
1091	21	28	0	0	2	8	344.344	0.001147	Thiophenic compounds
1092	22	28	0	0	1	9	324.284	0.018971	Thiophenic compounds
1093	23	28	0	0	1	10	336.284	0.015802	Thiophenic compounds
1094	22	28	0	0	2	9	356.344	0.000627	Thiophenic compounds
1095	24	28	0	0	1	11	348.284	0.006128	Thiophenic compounds
1096	25	28	0	0	1	12	360.284	0.00762	Thiophenic compounds
1097	24	28	0	0	2	11	380.344	0.000446	Thiophenic compounds
1098	26	28	0	0	1	13	372.284	0.005031	Thiophenic compounds
1099	25	28	0	0	2	12	392.344	0.005951	Thiophenic compounds
1100	27	28	0	0	1	14	384.284	0.0013	Thiophenic compounds
1101	15	30	0	0	1	1	242.3	0.00188	Thiophenic compounds
1102	16	30	0	0	1	2	254.3	0.000865	Thiophenic compounds
1103	17	30	0	0	1	3	266.3	0.005391	Thiophenic compounds
1104	18	30	0	0	1	4	278.3	0.004307	Thiophenic compounds
1105	19	30	0	0	1	5	290.3	0.005424	Thiophenic compounds
1106	20	30	0	0	1	6	302.3	0.130796	Thiophenic compounds
1107	21	30	0	0	1	7	314.3	0.127131	Thiophenic compounds
1108	22	30	0	0	1	8	326.3	0.038938	Thiophenic compounds
1109	22	30	0	0	2	8	358.36	0.000912	Thiophenic compounds
1110	23	30	0	0	1	9	338.3	0.037629	Thiophenic compounds
1111	24	30	0	0	1	10	350.3	0.013994	Thiophenic compounds
1112	23	30	0	0	2	9	370.36	0.000656	Thiophenic compounds
1113	25	30	0	0	1	11	362.3	0.007008	Thiophenic compounds
1114	24	30	0	0	2	10	382.36	0.000318	Thiophenic compounds
1115	26	30	0	0	1	12	374.3	0.00892	Thiophenic compounds
1116	25	30	0	0	2	11	394.36	0.000752	Thiophenic compounds
1117	27	30	0	0	1	13	386.3	0.004094	Thiophenic compounds
1118	26	30	0	0	2	12	406.36	0.006321	Thiophenic compounds
1119	28	30	0	0	1	14	398.3	0.001606	Thiophenic compounds
1120	16	32	0	0	1	1	256.316	0.001297	Thiophenic compounds
1121	18	32	0	0	1	3	280.316	0.002435	Thiophenic compounds
1122	19	32	0	0	1	4	292.316	0.00319	Thiophenic compounds
1123	20	32	0	0	1	5	304.316	0.005452	Thiophenic compounds
1124	21	32	0	0	1	6	316.316	0.104203	Thiophenic compounds
1125	22	32	0	0	1	7	328.316	0.108844	Thiophenic compounds
1126	23	32	0	0	1	8	340.316	0.038227	Thiophenic compounds
1127	24	32	0	0	1	9	352.316	0.023977	Thiophenic compounds
1128	23	32	0	0	2	8	372.376	0.001227	Thiophenic compounds
1129	25	32	0	0	1	10	364.316	0.014364	Thiophenic compounds
1130	24	32	0	0	2	9	384.376	0.002401	Thiophenic compounds
1131	26	32	0	0	1	11	376.316	0.009263	Thiophenic compounds
1132	25	32	0	0	2	10	396.376	0.00029	Thiophenic compounds
1133	27	32	0	0	1	12	388.316	0.011908	Thiophenic compounds
1134	26	32	0	0	2	11	408.376	0.000418	Thiophenic compounds
1135	28	32	0	0	1	13	400.316	0.00607	Thiophenic compounds
1136	27	32	0	0	2	12	420.376	0.006186	Thiophenic compounds
1137	29	32	0	0	1	14	412.316	0.002414	Thiophenic compounds
1138	19	34	0	0	1	3	294.332	0.000634	Thiophenic compounds
1139	20	34	0	0	1	4	306.332	0.002459	Thiophenic compounds
1140	21	34	0	0	1	5	318.332	0.006179	Thiophenic compounds
1141	22	34	0	0	1	6	330.332	0.086409	Thiophenic compounds
1142	23	34	0	0	1	7	342.332	0.088287	Thiophenic compounds
1143	24	34	0	0	1	8	354.332	0.027584	Thiophenic compounds
1144	25	34	0	0	1	9	366.332	0.019681	Thiophenic compounds
1145	24	34	0	0	2	8	386.392	0.001635	Thiophenic compounds
1146	26	34	0	0	1	10	378.332	0.013275	Thiophenic compounds
1147	25	34	0	0	2	9	398.392	0.001475	Thiophenic compounds
1148	27	34	0	0	1	11	390.332	0.010794	Thiophenic compounds
1149	26	34	0	0	2	10	410.392	0.000716	Thiophenic compounds
1150	28	34	0	0	1	12	402.332	0.013907	Thiophenic compounds
1151	29	34	0	0	1	13	414.332	0.008701	Thiophenic compounds
1152	28	34	0	0	2	12	434.392	0.005619	Thiophenic compounds
1153	30	34	0	0	1	14	426.332	0.002765	Thiophenic compounds
1154	20	36	0	0	1	3	308.348	0.000318	Thiophenic compounds
1155	21	36	0	0	1	4	320.348	0.002882	Thiophenic compounds
1156	22	36	0	0	1	5	332.348	0.005479	Thiophenic compounds
1157	23	36	0	0	1	6	344.348	0.065711	Thiophenic compounds
1158	24	36	0	0	1	7	356.348	0.063975	Thiophenic compounds
1159	25	36	0	0	1	8	368.348	0.021288	Thiophenic compounds
1160	26	36	0	0	1	9	380.348	0.01699	Thiophenic compounds
1161	25	36	0	0	2	8	400.408	0.001889	Thiophenic compounds
1162	27	36	0	0	1	10	392.348	0.012416	Thiophenic compounds
1163	26	36	0	0	2	9	412.408	0.003943	Thiophenic compounds
1164	28	36	0	0	1	11	404.348	0.011642	Thiophenic compounds
1165	27	36	0	0	2	10	424.408	0.001124	Thiophenic compounds
1166	29	36	0	0	1	12	416.348	0.01443	Thiophenic compounds
1167	30	36	0	0	1	13	428.348	0.009101	Thiophenic compounds
1168	29	36	0	0	2	12	448.408	0.003876	Thiophenic compounds
1169	31	36	0	0	1	14	440.348	0.00275	Thiophenic compounds
1170	32	36	0	0	1	15	452.348	0.000505	Thiophenic compounds
1171	33	36	0	0	1	16	464.348	0.006783	Thiophenic compounds
1172	21	38	0	0	1	3	322.364	0.001876	Thiophenic compounds
1173	22	38	0	0	1	4	334.364	0.00264	Thiophenic compounds
1174	23	38	0	0	1	5	346.364	0.004375	Thiophenic compounds
1175	24	38	0	0	1	6	358.364	0.039315	Thiophenic compounds
1176	25	38	0	0	1	7	370.364	0.049658	Thiophenic compounds
1177	26	38	0	0	1	8	382.364	0.017693	Thiophenic compounds
1178	27	38	0	0	1	9	394.364	0.015925	Thiophenic compounds
1179	26	38	0	0	2	8	414.424	0.001207	Thiophenic compounds
1180	28	38	0	0	1	10	406.364	0.010821	Thiophenic compounds
1181	27	38	0	0	2	9	426.424	0.003542	Thiophenic compounds
1182	29	38	0	0	1	11	418.364	0.010906	Thiophenic compounds
1183	28	38	0	0	2	10	438.424	0.001736	Thiophenic compounds
1184	30	38	0	0	1	12	430.364	0.013441	Thiophenic compounds
1185	31	38	0	0	1	13	442.364	0.00763	Thiophenic compounds
1186	30	38	0	0	2	12	462.424	0.00207	Thiophenic compounds
1187	32	38	0	0	1	14	454.364	0.003743	Thiophenic compounds
1188	33	38	0	0	1	15	466.364	0.000754	Thiophenic compounds
1189	34	38	0	0	1	16	478.364	0.001458	Thiophenic compounds
1190	23	40	0	0	1	4	348.38	0.001322	Thiophenic compounds
1191	24	40	0	0	1	5	360.38	0.002368	Thiophenic compounds
1192	25	40	0	0	1	6	372.38	0.025543	Thiophenic compounds
1193	26	40	0	0	1	7	384.38	0.03323	Thiophenic compounds
1194	27	40	0	0	1	8	396.38	0.015132	Thiophenic compounds
1195	28	40	0	0	1	9	408.38	0.012893	Thiophenic compounds
1196	27	40	0	0	2	8	428.44	0.000578	Thiophenic compounds
1197	29	40	0	0	1	10	420.38	0.010693	Thiophenic compounds
1198	28	40	0	0	2	9	440.44	0.003912	Thiophenic compounds
1199	30	40	0	0	1	11	432.38	0.009259	Thiophenic compounds
1200	29	40	0	0	2	10	452.44	0.001361	Thiophenic compounds
1201	31	40	0	0	1	12	444.38	0.012599	Thiophenic compounds
1202	32	40	0	0	1	13	456.38	0.007499	Thiophenic compounds
1203	31	40	0	0	2	12	476.44	0.000505	Thiophenic compounds
1204	33	40	0	0	1	14	468.38	0.002386	Thiophenic compounds
1205	34	40	0	0	1	15	480.38	0.000755	Thiophenic compounds
1206	35	40	0	0	1	16	492.38	0.007342	Thiophenic compounds
1207	23	42	0	0	1	3	350.396	0.000407	Thiophenic compounds
1208	24	42	0	0	1	4	362.396	0.001276	Thiophenic compounds
1209	25	42	0	0	1	5	374.396	0.002062	Thiophenic compounds
1210	26	42	0	0	1	6	386.396	0.016677	Thiophenic compounds
1211	27	42	0	0	1	7	398.396	0.026284	Thiophenic compounds
1212	28	42	0	0	1	8	410.396	0.010153	Thiophenic compounds
1213	29	42	0	0	1	9	422.396	0.011299	Thiophenic compounds
1214	28	42	0	0	2	8	442.456	0.001416	Thiophenic compounds
1215	30	42	0	0	1	10	434.396	0.008737	Thiophenic compounds
1216	29	42	0	0	2	9	454.456	0.003233	Thiophenic compounds
1217	31	42	0	0	1	11	446.396	0.007171	Thiophenic compounds
1218	30	42	0	0	2	10	466.456	0.000943	Thiophenic compounds
1219	32	42	0	0	1	12	458.396	0.012153	Thiophenic compounds
1220	33	42	0	0	1	13	470.396	0.005189	Thiophenic compounds
1221	32	42	0	0	2	12	490.456	0.001022	Thiophenic compounds
1222	34	42	0	0	1	14	482.396	0.002382	Thiophenic compounds
1223	35	42	0	0	1	15	494.396	0.001198	Thiophenic compounds
1224	36	42	0	0	1	16	506.396	0.003312	Thiophenic compounds
1225	25	44	0	0	1	4	376.412	0.001017	Thiophenic compounds
1226	26	44	0	0	1	5	388.412	0.001651	Thiophenic compounds
1227	27	44	0	0	1	6	400.412	0.013006	Thiophenic compounds
1228	28	44	0	0	1	7	412.412	0.017753	Thiophenic compounds
1229	29	44	0	0	1	8	424.412	0.008767	Thiophenic compounds
1230	30	44	0	0	1	9	436.412	0.009329	Thiophenic compounds
1231	29	44	0	0	2	8	456.472	0.000562	Thiophenic compounds
1232	31	44	0	0	1	10	448.412	0.007161	Thiophenic compounds
1233	30	44	0	0	2	9	468.472	0.002561	Thiophenic compounds
1234	32	44	0	0	1	11	460.412	0.006276	Thiophenic compounds
1235	31	44	0	0	2	10	480.472	0.000391	Thiophenic compounds
1236	33	44	0	0	1	12	472.412	0.007885	Thiophenic compounds
1237	34	44	0	0	1	13	484.412	0.004396	Thiophenic compounds
1238	33	44	0	0	2	12	504.472	0.00043	Thiophenic compounds
1239	35	44	0	0	1	14	496.412	0.001589	Thiophenic compounds
1240	36	44	0	0	1	15	508.412	0.001087	Thiophenic compounds
1241	37	44	0	0	1	16	520.412	0.002603	Thiophenic compounds
1242	26	46	0	0	1	4	390.428	0.000936	Thiophenic compounds
1243	27	46	0	0	1	5	402.428	0.001059	Thiophenic compounds
1244	28	46	0	0	1	6	414.428	0.008707	Thiophenic compounds
1245	29	46	0	0	1	7	426.428	0.013068	Thiophenic compounds
1246	30	46	0	0	1	8	438.428	0.006222	Thiophenic compounds
1247	31	46	0	0	1	9	450.428	0.008092	Thiophenic compounds
1248	30	46	0	0	2	8	470.488	0.0015	Thiophenic compounds
1249	32	46	0	0	1	10	462.428	0.006847	Thiophenic compounds
1250	31	46	0	0	2	9	482.488	0.001703	Thiophenic compounds
1251	33	46	0	0	1	11	474.428	0.004498	Thiophenic compounds
1252	32	46	0	0	2	10	494.488	0.000474	Thiophenic compounds
1253	34	46	0	0	1	12	486.428	0.004815	Thiophenic compounds
1254	35	46	0	0	1	13	498.428	0.002829	Thiophenic compounds
1255	36	46	0	0	1	14	510.428	0.001478	Thiophenic compounds
1256	37	46	0	0	1	15	522.428	0.00078	Thiophenic compounds
1257	38	46	0	0	1	16	534.428	0.002164	Thiophenic compounds
1258	28	48	0	0	1	5	416.444	0.000936	Thiophenic compounds
1259	29	48	0	0	1	6	428.444	0.006822	Thiophenic compounds
1260	30	48	0	0	1	7	440.444	0.009261	Thiophenic compounds
1261	31	48	0	0	1	8	452.444	0.004769	Thiophenic compounds
1262	32	48	0	0	1	9	464.444	0.005785	Thiophenic compounds
1263	33	48	0	0	1	10	476.444	0.004439	Thiophenic compounds
1264	32	48	0	0	2	9	496.504	0.001151	Thiophenic compounds
1265	34	48	0	0	1	11	488.444	0.003172	Thiophenic compounds
1266	35	48	0	0	1	12	500.444	0.002474	Thiophenic compounds
1267	36	48	0	0	1	13	512.444	0.001846	Thiophenic compounds
1268	37	48	0	0	1	14	524.444	0.000632	Thiophenic compounds
1269	38	48	0	0	1	15	536.444	0.000923	Thiophenic compounds
1270	39	48	0	0	1	16	548.444	0.002456	Thiophenic compounds
1271	28	50	0	0	1	4	418.46	0.000572	Thiophenic compounds
1272	29	50	0	0	1	5	430.46	0.000385	Thiophenic compounds
1273	30	50	0	0	1	6	442.46	0.005361	Thiophenic compounds
1274	31	50	0	0	1	7	454.46	0.00687	Thiophenic compounds
1275	32	50	0	0	1	8	466.46	0.004093	Thiophenic compounds
1276	33	50	0	0	1	9	478.46	0.004501	Thiophenic compounds
1277	34	50	0	0	1	10	490.46	0.002968	Thiophenic compounds
1278	33	50	0	0	2	9	510.52	0.000671	Thiophenic compounds
1279	35	50	0	0	1	11	502.46	0.001989	Thiophenic compounds
1280	36	50	0	0	1	12	514.46	0.001987	Thiophenic compounds
1281	37	50	0	0	1	13	526.46	0.000962	Thiophenic compounds
1282	38	50	0	0	1	14	538.46	0.002358	Thiophenic compounds
1283	39	50	0	0	1	15	550.46	0.000664	Thiophenic compounds
1284	40	50	0	0	1	16	562.46	0.002012	Thiophenic compounds
1285	30	52	0	0	1	5	444.476	0.000459	Thiophenic compounds
1286	31	52	0	0	1	6	456.476	0.00286	Thiophenic compounds
1287	32	52	0	0	1	7	468.476	0.004922	Thiophenic compounds
1288	33	52	0	0	1	8	480.476	0.002248	Thiophenic compounds
1289	34	52	0	0	1	9	492.476	0.002995	Thiophenic compounds
1290	35	52	0	0	1	10	504.476	0.002634	Thiophenic compounds
1291	34	52	0	0	2	9	524.536	0.000382	Thiophenic compounds
1292	36	52	0	0	1	11	516.476	0.001227	Thiophenic compounds
1293	37	52	0	0	1	12	528.476	0.001258	Thiophenic compounds
1294	38	52	0	0	1	13	540.476	0.000837	Thiophenic compounds
1295	39	52	0	0	1	14	552.476	0.000331	Thiophenic compounds
1296	40	52	0	0	1	15	564.476	0.000983	Thiophenic compounds
1297	30	54	0	0	1	4	446.492	0.000356	Thiophenic compounds
1298	32	54	0	0	1	6	470.492	0.001898	Thiophenic compounds
1299	33	54	0	0	1	7	482.492	0.003215	Thiophenic compounds
1300	34	54	0	0	1	8	494.492	0.001218	Thiophenic compounds
1301	35	54	0	0	1	9	506.492	0.002715	Thiophenic compounds
1302	36	54	0	0	1	10	518.492	0.001416	Thiophenic compounds
1303	38	54	0	0	1	12	542.492	0.00052	Thiophenic compounds
1304	39	54	0	0	1	13	554.492	0.000496	Thiophenic compounds
1305	40	54	0	0	1	14	566.492	0.000406	Thiophenic compounds
1306	33	56	0	0	1	6	484.508	0.000935	Thiophenic compounds
1307	34	56	0	0	1	7	496.508	0.002688	Thiophenic compounds
1308	35	56	0	0	1	8	508.508	0.000582	Thiophenic compounds
1309	36	56	0	0	1	9	520.508	0.00148	Thiophenic compounds
1310	37	56	0	0	1	10	532.508	0.001187	Thiophenic compounds
1311	38	56	0	0	1	11	544.508	0.000448	Thiophenic compounds
1312	40	56	0	0	1	13	568.508	0.000339	Thiophenic compounds
1313	35	58	0	0	1	7	510.524	0.00203	Thiophenic compounds
1314	36	58	0	0	1	8	522.524	0.000423	Thiophenic compounds
1315	37	58	0	0	1	9	534.524	0.001721	Thiophenic compounds
1316	38	58	0	0	1	10	546.524	0.00126	Thiophenic compounds
1317	36	60	0	0	1	7	524.54	0.000981	Thiophenic compounds
1318	37	60	0	0	1	8	536.54	0.000533	Thiophenic compounds
1319	38	60	0	0	1	9	548.54	0.002255	Thiophenic compounds
1320	39	60	0	0	1	10	560.54	0.000717	Thiophenic compounds
1321	39	62	0	0	1	9	562.556	0.001277	Thiophenic compounds
1322	12	10	2	0	0	8	186.08	0.000163	Acidic fraction
1323	13	10	2	0	0	9	198.08	0.000369	Acidic fraction
1324	15	10	2	0	0	11	222.08	0.000168	Acidic fraction
1325	17	10	2	0	0	13	246.08	0.000185	Acidic fraction
1326	9	10	3	0	0	5	166.08	0.000153	Acidic fraction
1327	10	10	3	0	0	6	178.08	0.000119	Acidic fraction
1328	11	10	3	0	0	7	190.08	0.000128	Acidic fraction
1329	12	10	3	0	0	8	202.08	0.000141	Acidic fraction
1330	26	10	3	0	0	22	370.08	0.000299	Acidic fraction
1331	9	10	4	0	0	5	182.08	0.000129	Acidic fraction
1332	10	10	4	0	0	6	194.08	0.000135	Acidic fraction
1333	11	10	4	0	0	7	206.08	0.000148	Acidic fraction
1334	16	10	4	0	0	12	266.08	0.000215	Acidic fraction
1335	19	10	4	0	0	15	302.08	0.000246	Acidic fraction
1336	24	10	4	0	0	20	362.08	0.000279	Acidic fraction
1337	28	10	4	0	0	24	410.08	0.00036	Acidic fraction
1338	11	12	1	0	0	6	160.096	0.00048	Acidic fraction
1339	12	12	1	0	0	7	172.096	0.001839	Acidic fraction
1340	13	12	1	0	0	8	184.096	0.004277	Acidic fraction
1341	14	12	1	0	0	9	196.096	0.000592	Acidic fraction
1342	16	12	1	0	0	11	220.096	0.000167	Acidic fraction
1343	27	12	1	0	0	22	352.096	0.00029	Acidic fraction
1344	10	12	2	0	0	5	164.096	0.000488	Acidic fraction
1345	11	12	2	0	0	6	176.096	0.000382	Acidic fraction
1346	12	12	2	0	0	7	188.096	0.000307	Acidic fraction
1347	13	12	2	0	0	8	200.096	0.000187	Acidic fraction
1348	14	12	2	0	0	9	212.096	0.000316	Acidic fraction
1349	18	12	2	0	0	13	260.096	0.000208	Acidic fraction
1350	9	12	3	0	0	4	168.096	0.00011	Acidic fraction
1351	10	12	3	0	0	5	180.096	0.000174	Acidic fraction
1352	11	12	3	0	0	6	192.096	0.000418	Acidic fraction
1353	12	12	3	0	0	7	204.096	0.000144	Acidic fraction
1354	15	12	3	0	0	10	240.096	0.000203	Acidic fraction
1355	27	12	3	0	0	22	384.096	0.000381	Acidic fraction
1356	8	12	4	0	0	3	172.096	0.000109	Acidic fraction
1357	9	12	4	0	0	4	184.096	0.000121	Acidic fraction
1358	11	14	1	0	0	5	162.112	0.00375	Acidic fraction
1359	12	14	1	0	0	6	174.112	0.002371	Acidic fraction
1360	13	14	1	0	0	7	186.112	0.001779	Acidic fraction
1361	14	14	1	0	0	8	198.112	0.014526	Acidic fraction
1362	15	14	1	0	0	9	210.112	0.000925	Acidic fraction
1363	20	14	1	0	0	14	270.112	0.000202	Acidic fraction
1364	22	14	1	0	0	16	294.112	0.000229	Acidic fraction
1365	30	14	1	0	0	24	390.112	0.0003	Acidic fraction
1366	33	14	1	0	0	27	426.112	0.000356	Acidic fraction
1367	34	14	1	0	0	28	438.112	0.000385	Acidic fraction
1368	43	14	1	0	0	37	546.112	0.000569	Acidic fraction
1369	9	14	2	0	0	3	154.112	0.000124	Acidic fraction
1370	10	14	2	0	0	4	166.112	0.000165	Acidic fraction
1371	11	14	2	0	0	5	178.112	0.001547	Acidic fraction
1372	12	14	2	0	0	6	190.112	0.000755	Acidic fraction
1373	13	14	2	0	0	7	202.112	0.000335	Acidic fraction
1374	14	14	2	0	0	8	214.112	0.000412	Acidic fraction
1375	15	14	2	0	0	9	226.112	0.000198	Acidic fraction
1376	16	14	2	0	0	10	238.112	0.000167	Acidic fraction
1377	29	14	2	0	0	23	394.112	0.000332	Acidic fraction
1378	9	14	3	0	0	3	170.112	0.000251	Acidic fraction
1379	10	14	3	0	0	4	182.112	0.000145	Acidic fraction
1380	11	14	3	0	0	5	194.112	0.00015	Acidic fraction
1381	12	14	3	0	0	6	206.112	0.000256	Acidic fraction
1382	14	14	3	0	0	8	230.112	0.000194	Acidic fraction
1383	22	14	3	0	0	16	326.112	0.00025	Acidic fraction
1384	32	14	3	0	0	26	446.112	0.000367	Acidic fraction
1385	35	14	3	0	0	29	482.112	0.000403	Acidic fraction
1386	9	14	4	0	0	3	186.112	0.00014	Acidic fraction
1387	11	14	4	0	0	5	210.112	0.000145	Acidic fraction
1388	13	14	4	0	0	7	234.112	0.000165	Acidic fraction
1389	15	14	4	0	0	9	258.112	0.000242	Acidic fraction
1390	19	14	4	0	0	13	306.112	0.000224	Acidic fraction
1391	11	16	1	0	0	4	164.128	0.005365	Acidic fraction
1392	12	16	1	0	0	5	176.128	0.033723	Acidic fraction
1393	13	16	1	0	0	6	188.128	0.014137	Acidic fraction
1394	14	16	1	0	0	7	200.128	0.001211	Acidic fraction
1395	15	16	1	0	0	8	212.128	0.023787	Acidic fraction
1396	16	16	1	0	0	9	224.128	0.001208	Acidic fraction
1397	18	16	1	0	0	11	248.128	0.00025	Acidic fraction
1398	20	16	1	0	0	13	272.128	0.000277	Acidic fraction
1399	21	16	1	0	0	14	284.128	0.000238	Acidic fraction
1400	24	16	1	0	0	17	320.128	0.000279	Acidic fraction
1401	9	16	2	0	0	2	156.128	0.000237	Acidic fraction
1402	10	16	2	0	0	3	168.128	0.000506	Acidic fraction
1403	11	16	2	0	0	4	180.128	0.000494	Acidic fraction
1404	12	16	2	0	0	5	192.128	0.001194	Acidic fraction
1405	13	16	2	0	0	6	204.128	0.001341	Acidic fraction
1406	14	16	2	0	0	7	216.128	0.000259	Acidic fraction
1407	15	16	2	0	0	8	228.128	0.000589	Acidic fraction
1408	20	16	2	0	0	13	288.128	0.000209	Acidic fraction
1409	26	16	2	0	0	19	360.128	0.000289	Acidic fraction
1410	8	16	3	0	0	1	160.128	0.00012	Acidic fraction
1411	9	16	3	0	0	2	172.128	0.000255	Acidic fraction
1412	10	16	3	0	0	3	184.128	0.000153	Acidic fraction
1413	12	16	3	0	0	5	208.128	0.000376	Acidic fraction
1414	13	16	3	0	0	6	220.128	0.000493	Acidic fraction
1415	14	16	3	0	0	7	232.128	0.000318	Acidic fraction
1416	15	16	3	0	0	8	244.128	0.000187	Acidic fraction
1417	23	16	3	0	0	16	340.128	0.000273	Acidic fraction
1418	7	16	4	0	0	0	164.128	0.000124	Acidic fraction
1419	12	16	4	0	0	5	224.128	0.000239	Acidic fraction
1420	13	16	4	0	0	6	236.128	0.000353	Acidic fraction
1421	14	16	4	0	0	7	248.128	0.001208	Acidic fraction
1422	17	16	4	0	0	10	284.128	0.000276	Acidic fraction
1423	19	16	4	0	0	12	308.128	0.000238	Acidic fraction
1424	20	16	4	0	0	13	320.128	0.000266	Acidic fraction
1425	28	16	4	0	0	21	416.128	0.000358	Acidic fraction
1426	32	16	4	0	0	25	464.128	0.000399	Acidic fraction
1427	11	18	1	0	0	3	166.144	0.000121	Acidic fraction
1428	12	18	1	0	0	4	178.144	0.030073	Acidic fraction
1429	13	18	1	0	0	5	190.144	0.096997	Acidic fraction
1430	14	18	1	0	0	6	202.144	0.034496	Acidic fraction
1431	15	18	1	0	0	7	214.144	0.001728	Acidic fraction
1432	16	18	1	0	0	8	226.144	0.031239	Acidic fraction
1433	17	18	1	0	0	9	238.144	0.00137	Acidic fraction
1434	18	18	1	0	0	10	250.144	0.000209	Acidic fraction
1435	20	18	1	0	0	12	274.144	0.000199	Acidic fraction
1436	22	18	1	0	0	14	298.144	0.000271	Acidic fraction
1437	26	18	1	0	0	18	346.144	0.000407	Acidic fraction
1438	27	18	1	0	0	19	358.144	0.000275	Acidic fraction
1439	31	18	1	0	0	23	406.144	0.000317	Acidic fraction
1440	32	18	1	0	0	24	418.144	0.000349	Acidic fraction
1441	36	18	1	0	0	28	466.144	0.000411	Acidic fraction
1442	48	18	1	0	0	40	610.144	0.000603	Acidic fraction
1443	50	18	1	0	0	42	634.144	0.000619	Acidic fraction
1444	9	18	2	0	0	1	158.144	0.008357	Acidic fraction
1445	10	18	2	0	0	2	170.144	0.001029	Acidic fraction
1446	11	18	2	0	0	3	182.144	0.002635	Acidic fraction
1447	12	18	2	0	0	4	194.144	0.002559	Acidic fraction
1448	13	18	2	0	0	5	206.144	0.002038	Acidic fraction
1449	14	18	2	0	0	6	218.144	0.001647	Acidic fraction
1450	15	18	2	0	0	7	230.144	0.000701	Acidic fraction
1451	16	18	2	0	0	8	242.144	0.000213	Acidic fraction
1452	26	18	2	0	0	18	362.144	0.000381	Acidic fraction
1453	9	18	3	0	0	1	174.144	0.000153	Acidic fraction
1454	10	18	3	0	0	2	186.144	0.000188	Acidic fraction
1455	12	18	3	0	0	4	210.144	0.000157	Acidic fraction
1456	13	18	3	0	0	5	222.144	0.000304	Acidic fraction
1457	14	18	3	0	0	6	234.144	0.000293	Acidic fraction
1458	15	18	3	0	0	7	246.144	0.000176	Acidic fraction
1459	31	18	3	0	0	23	438.144	0.000381	Acidic fraction
1460	41	18	3	0	0	33	558.144	0.000483	Acidic fraction
1461	55	18	3	0	0	47	726.144	0.000703	Acidic fraction
1462	8	18	4	0	0	0	178.144	0.00016	Acidic fraction
1463	10	18	4	0	0	2	202.144	0.000153	Acidic fraction
1464	11	18	4	0	0	3	214.144	0.00016	Acidic fraction
1465	13	18	4	0	0	5	238.144	0.000409	Acidic fraction
1466	14	18	4	0	0	6	250.144	0.000387	Acidic fraction
1467	17	18	4	0	0	9	286.144	0.000244	Acidic fraction
1468	20	18	4	0	0	12	322.144	0.000278	Acidic fraction
1469	21	18	4	0	0	13	334.144	0.000271	Acidic fraction
1470	34	18	4	0	0	26	490.144	0.000405	Acidic fraction
1471	53	18	4	0	0	45	718.144	0.000868	Acidic fraction
1472	10	20	1	0	0	1	156.16	0.000176	Acidic fraction
1473	11	20	1	0	0	2	168.16	0.000281	Acidic fraction
1474	12	20	1	0	0	3	180.16	0.000237	Acidic fraction
1475	13	20	1	0	0	4	192.16	0.065111	Acidic fraction
1476	14	20	1	0	0	5	204.16	0.147677	Acidic fraction
1477	15	20	1	0	0	6	216.16	0.03755	Acidic fraction
1478	16	20	1	0	0	7	228.16	0.002417	Acidic fraction
1479	17	20	1	0	0	8	240.16	0.021443	Acidic fraction
1480	18	20	1	0	0	9	252.16	0.00123	Acidic fraction
1481	20	20	1	0	0	11	276.16	0.000276	Acidic fraction
1482	23	20	1	0	0	14	312.16	0.000243	Acidic fraction
1483	25	20	1	0	0	16	336.16	0.000273	Acidic fraction
1484	26	20	1	0	0	17	348.16	0.00034	Acidic fraction
1485	10	20	2	0	0	1	172.16	0.001813	Acidic fraction
1486	11	20	2	0	0	2	184.16	0.004993	Acidic fraction
1487	12	20	2	0	0	3	196.16	0.01485	Acidic fraction
1488	13	20	2	0	0	4	208.16	0.007606	Acidic fraction
1489	14	20	2	0	0	5	220.16	0.002953	Acidic fraction
1490	15	20	2	0	0	6	232.16	0.001813	Acidic fraction
1491	16	20	2	0	0	7	244.16	0.000662	Acidic fraction
1492	24	20	2	0	0	15	340.16	0.000267	Acidic fraction
1493	52	20	2	0	0	43	676.16	0.000655	Acidic fraction
1494	54	20	2	0	0	45	700.16	0.000737	Acidic fraction
1495	9	20	3	0	0	0	176.16	0.000133	Acidic fraction
1496	11	20	3	0	0	2	200.16	0.000154	Acidic fraction
1497	12	20	3	0	0	3	212.16	0.00021	Acidic fraction
1498	13	20	3	0	0	4	224.16	0.000585	Acidic fraction
1499	14	20	3	0	0	5	236.16	0.000401	Acidic fraction
1500	15	20	3	0	0	6	248.16	0.000311	Acidic fraction
1501	19	20	3	0	0	10	296.16	0.000227	Acidic fraction
1502	23	20	3	0	0	14	344.16	0.000263	Acidic fraction
1503	38	20	3	0	0	29	524.16	0.000477	Acidic fraction
1504	40	20	3	0	0	31	548.16	0.000522	Acidic fraction
1505	41	20	3	0	0	32	560.16	0.000495	Acidic fraction
1506	42	20	3	0	0	33	572.16	0.000603	Acidic fraction
1507	43	20	3	0	0	34	584.16	0.000546	Acidic fraction
1508	9	20	4	0	0	0	192.16	0.000146	Acidic fraction
1509	13	20	4	0	0	4	240.16	0.000428	Acidic fraction
1510	15	20	4	0	0	6	264.16	0.000205	Acidic fraction
1511	18	20	4	0	0	9	300.16	0.000217	Acidic fraction
1512	11	22	1	0	0	1	170.176	0.000236	Acidic fraction
1513	12	22	1	0	0	2	182.176	0.00041	Acidic fraction
1514	13	22	1	0	0	3	194.176	0.000543	Acidic fraction
1515	14	22	1	0	0	4	206.176	0.102993	Acidic fraction
1516	15	22	1	0	0	5	218.176	0.111671	Acidic fraction
1517	16	22	1	0	0	6	230.176	0.03246	Acidic fraction
1518	17	22	1	0	0	7	242.176	0.001883	Acidic fraction
1519	18	22	1	0	0	8	254.176	0.008652	Acidic fraction
1520	19	22	1	0	0	9	266.176	0.00069	Acidic fraction
1521	23	22	1	0	0	13	314.176	0.000248	Acidic fraction
1522	11	22	2	0	0	1	186.176	0.001843	Acidic fraction
1523	12	22	2	0	0	2	198.176	0.012707	Acidic fraction
1524	13	22	2	0	0	3	210.176	0.037511	Acidic fraction
1525	14	22	2	0	0	4	222.176	0.05132	Acidic fraction
1526	15	22	2	0	0	5	234.176	0.006658	Acidic fraction
1527	16	22	2	0	0	6	246.176	0.001905	Acidic fraction
1528	17	22	2	0	0	7	258.176	0.000489	Acidic fraction
1529	18	22	2	0	0	8	270.176	0.000202	Acidic fraction
1530	20	22	2	0	0	10	294.176	0.000224	Acidic fraction
1531	35	22	2	0	0	25	474.176	0.000392	Acidic fraction
1532	36	22	2	0	0	26	486.176	0.000449	Acidic fraction
1533	11	22	3	0	0	1	202.176	0.000154	Acidic fraction
1534	13	22	3	0	0	3	226.176	0.000251	Acidic fraction
1535	14	22	3	0	0	4	238.176	0.000341	Acidic fraction
1536	15	22	3	0	0	5	250.176	0.001363	Acidic fraction
1537	16	22	3	0	0	6	262.176	0.000245	Acidic fraction
1538	17	22	3	0	0	7	274.176	0.000252	Acidic fraction
1539	24	22	3	0	0	14	358.176	0.00032	Acidic fraction
1540	10	22	4	0	0	0	206.176	0.00014	Acidic fraction
1541	11	22	4	0	0	1	218.176	0.000166	Acidic fraction
1542	13	22	4	0	0	3	242.176	0.000511	Acidic fraction
1543	14	22	4	0	0	4	254.176	0.000225	Acidic fraction
1544	15	22	4	0	0	5	266.176	0.000346	Acidic fraction
1545	16	22	4	0	0	6	278.176	0.0003	Acidic fraction
1546	36	22	4	0	0	26	518.176	0.000453	Acidic fraction
1547	39	22	4	0	0	29	554.176	0.000515	Acidic fraction
1548	12	24	1	0	0	1	184.192	0.000279	Acidic fraction
1549	13	24	1	0	0	2	196.192	0.000208	Acidic fraction
1550	14	24	1	0	0	3	208.192	0.000206	Acidic fraction
1551	15	24	1	0	0	4	220.192	0.093688	Acidic fraction
1552	16	24	1	0	0	5	232.192	0.059306	Acidic fraction
1553	17	24	1	0	0	6	244.192	0.01341	Acidic fraction
1554	18	24	1	0	0	7	256.192	0.001017	Acidic fraction
1555	19	24	1	0	0	8	268.192	0.002984	Acidic fraction
1556	20	24	1	0	0	9	280.192	0.00042	Acidic fraction
1557	23	24	1	0	0	12	316.192	0.000253	Acidic fraction
1558	12	24	2	0	0	1	200.192	0.01213	Acidic fraction
1559	13	24	2	0	0	2	212.192	0.029765	Acidic fraction
1560	14	24	2	0	0	3	224.192	0.08709	Acidic fraction
1561	15	24	2	0	0	4	236.192	0.03346	Acidic fraction
1562	16	24	2	0	0	5	248.192	0.005994	Acidic fraction
1563	17	24	2	0	0	6	260.192	0.001008	Acidic fraction
1564	18	24	2	0	0	7	272.192	0.000752	Acidic fraction
1565	22	24	2	0	0	11	320.192	0.000234	Acidic fraction
1566	11	24	3	0	0	0	204.192	0.000165	Acidic fraction
1567	13	24	3	0	0	2	228.192	0.000216	Acidic fraction
1568	15	24	3	0	0	4	252.192	0.00072	Acidic fraction
1569	16	24	3	0	0	5	264.192	0.000492	Acidic fraction
1570	17	24	3	0	0	6	276.192	0.001082	Acidic fraction
1571	31	24	3	0	0	20	444.192	0.000421	Acidic fraction
1572	46	24	3	0	0	35	624.192	0.00059	Acidic fraction
1573	50	24	3	0	0	39	672.192	0.000643	Acidic fraction
1574	12	24	4	0	0	1	232.192	0.000172	Acidic fraction
1575	13	24	4	0	0	2	244.192	0.000207	Acidic fraction
1576	14	24	4	0	0	3	256.192	0.000183	Acidic fraction
1577	15	24	4	0	0	4	268.192	0.000246	Acidic fraction
1578	16	24	4	0	0	5	280.192	0.000237	Acidic fraction
1579	17	24	4	0	0	6	292.192	0.000237	Acidic fraction
1580	13	26	1	0	0	1	198.208	0.000324	Acidic fraction
1581	14	26	1	0	0	2	210.208	0.000221	Acidic fraction
1582	15	26	1	0	0	3	222.208	0.000217	Acidic fraction
1583	16	26	1	0	0	4	234.208	0.075403	Acidic fraction
1584	17	26	1	0	0	5	246.208	0.030722	Acidic fraction
1585	18	26	1	0	0	6	258.208	0.004297	Acidic fraction
1586	19	26	1	0	0	7	270.208	0.000535	Acidic fraction
1587	20	26	1	0	0	8	282.208	0.001198	Acidic fraction
1588	13	26	2	0	0	1	214.208	0.008689	Acidic fraction
1589	14	26	2	0	0	2	226.208	0.064586	Acidic fraction
1590	15	26	2	0	0	3	238.208	0.076686	Acidic fraction
1591	16	26	2	0	0	4	250.208	0.016036	Acidic fraction
1592	17	26	2	0	0	5	262.208	0.002144	Acidic fraction
1593	18	26	2	0	0	6	274.208	0.000953	Acidic fraction
1594	19	26	2	0	0	7	286.208	0.000309	Acidic fraction
1595	25	26	2	0	0	13	358.208	0.000305	Acidic fraction
1596	32	26	2	0	0	20	442.208	0.000422	Acidic fraction
1597	54	26	2	0	0	42	706.208	0.000777	Acidic fraction
1598	13	26	3	0	0	1	230.208	0.00019	Acidic fraction
1599	14	26	3	0	0	2	242.208	0.000246	Acidic fraction
1600	15	26	3	0	0	3	254.208	0.000189	Acidic fraction
1601	16	26	3	0	0	4	266.208	0.000322	Acidic fraction
1602	17	26	3	0	0	5	278.208	0.000334	Acidic fraction
1603	18	26	3	0	0	6	290.208	0.000227	Acidic fraction
1604	14	26	4	0	0	2	258.208	0.000225	Acidic fraction
1605	15	26	4	0	0	3	270.208	0.000219	Acidic fraction
1606	17	26	4	0	0	5	294.208	0.003178	Acidic fraction
1607	30	26	4	0	0	18	450.208	0.000391	Acidic fraction
1608	45	26	4	0	0	33	630.208	0.000718	Acidic fraction
1609	55	26	4	0	0	43	750.208	0.000734	Acidic fraction
1610	14	28	1	0	0	1	212.224	0.000289	Acidic fraction
1611	15	28	1	0	0	2	224.224	0.000212	Acidic fraction
1612	16	28	1	0	0	3	236.224	0.000171	Acidic fraction
1613	17	28	1	0	0	4	248.224	0.048055	Acidic fraction
1614	18	28	1	0	0	5	260.224	0.007842	Acidic fraction
1615	19	28	1	0	0	6	272.224	0.002232	Acidic fraction
1616	20	28	1	0	0	7	284.224	0.000424	Acidic fraction
1617	21	28	1	0	0	8	296.224	0.000288	Acidic fraction
1618	29	28	1	0	0	16	392.224	0.000372	Acidic fraction
1619	14	28	2	0	0	1	228.224	0.041102	Acidic fraction
1620	15	28	2	0	0	2	240.224	0.085017	Acidic fraction
1621	16	28	2	0	0	3	252.224	0.050595	Acidic fraction
1622	17	28	2	0	0	4	264.224	0.004881	Acidic fraction
1623	18	28	2	0	0	5	276.224	0.001107	Acidic fraction
1624	19	28	2	0	0	6	288.224	0.000312	Acidic fraction
1625	20	28	2	0	0	7	300.224	0.000557	Acidic fraction
1626	27	28	2	0	0	14	384.224	0.000311	Acidic fraction
1627	52	28	2	0	0	39	684.224	0.00073	Acidic fraction
1628	13	28	3	0	0	0	232.224	0.000177	Acidic fraction
1629	14	28	3	0	0	1	244.224	0.000253	Acidic fraction
1630	16	28	3	0	0	3	268.224	0.000363	Acidic fraction
1631	17	28	3	0	0	4	280.224	0.000254	Acidic fraction
1632	18	28	3	0	0	5	292.224	0.000969	Acidic fraction
1633	25	28	3	0	0	12	376.224	0.000302	Acidic fraction
1634	18	28	4	0	0	5	308.224	0.00024	Acidic fraction
1635	19	28	4	0	0	6	320.224	0.000248	Acidic fraction
1636	55	28	4	0	0	42	752.224	0.000936	Acidic fraction
1637	15	30	1	0	0	1	226.24	0.000264	Acidic fraction
1638	16	30	1	0	0	2	238.24	0.000275	Acidic fraction
1639	17	30	1	0	0	3	250.24	0.000305	Acidic fraction
1640	18	30	1	0	0	4	262.24	0.014911	Acidic fraction
1641	19	30	1	0	0	5	274.24	0.003695	Acidic fraction
1642	20	30	1	0	0	6	286.24	0.000656	Acidic fraction
1643	22	30	1	0	0	8	310.24	0.000227	Acidic fraction
1644	25	30	1	0	0	11	346.24	0.000261	Acidic fraction
1645	15	30	2	0	0	1	242.24	0.03858	Acidic fraction
1646	16	30	2	0	0	2	254.24	0.054901	Acidic fraction
1647	17	30	2	0	0	3	266.24	0.015675	Acidic fraction
1648	18	30	2	0	0	4	278.24	0.002919	Acidic fraction
1649	19	30	2	0	0	5	290.24	0.000563	Acidic fraction
1650	20	30	2	0	0	6	302.24	0.000603	Acidic fraction
1651	21	30	2	0	0	7	314.24	0.000657	Acidic fraction
1652	49	30	2	0	0	35	650.24	0.000666	Acidic fraction
1653	15	30	3	0	0	1	258.24	0.00019	Acidic fraction
1654	16	30	3	0	0	2	270.24	0.000921	Acidic fraction
1655	34	30	3	0	0	20	486.24	0.000432	Acidic fraction
1656	31	30	4	0	0	17	466.24	0.00043	Acidic fraction
1657	16	32	1	0	0	1	240.256	0.000312	Acidic fraction
1658	17	32	1	0	0	2	252.256	0.000191	Acidic fraction
1659	19	32	1	0	0	4	276.256	0.006311	Acidic fraction
1660	20	32	1	0	0	5	288.256	0.000626	Acidic fraction
1661	29	32	1	0	0	14	396.256	0.00039	Acidic fraction
1662	36	32	1	0	0	21	480.256	0.000452	Acidic fraction
1663	16	32	2	0	0	1	256.256	0.232357	Acidic fraction
1664	17	32	2	0	0	2	268.256	0.020365	Acidic fraction
1665	18	32	2	0	0	3	280.256	0.009874	Acidic fraction
1666	19	32	2	0	0	4	292.256	0.001514	Acidic fraction
1667	20	32	2	0	0	5	304.256	0.000591	Acidic fraction
1668	23	32	2	0	0	8	340.256	0.000301	Acidic fraction
1669	25	32	2	0	0	10	364.256	0.000276	Acidic fraction
1670	49	32	2	0	0	34	652.256	0.000627	Acidic fraction
1671	53	32	2	0	0	38	700.256	0.00072	Acidic fraction
1672	16	32	3	0	0	1	272.256	0.000995	Acidic fraction
1673	17	32	3	0	0	2	284.256	0.000285	Acidic fraction
1674	22	32	3	0	0	7	344.256	0.000392	Acidic fraction
1675	27	32	3	0	0	12	404.256	0.000334	Acidic fraction
1676	28	32	3	0	0	13	416.256	0.000329	Acidic fraction
1677	16	32	4	0	0	1	288.256	0.000234	Acidic fraction
1678	24	32	4	0	0	9	384.256	0.000293	Acidic fraction
1679	25	32	4	0	0	10	396.256	0.000309	Acidic fraction
1680	40	32	4	0	0	25	576.256	0.000752	Acidic fraction
1681	17	34	1	0	0	1	254.272	0.000254	Acidic fraction
1682	18	34	1	0	0	2	266.272	0.000231	Acidic fraction
1683	20	34	1	0	0	4	290.272	0.001458	Acidic fraction
1684	21	34	1	0	0	5	302.272	0.000339	Acidic fraction
1685	22	34	1	0	0	6	314.272	0.000273	Acidic fraction
1686	23	34	1	0	0	7	326.272	0.00024	Acidic fraction
1687	24	34	1	0	0	8	338.272	0.000275	Acidic fraction
1688	33	34	1	0	0	17	446.272	0.000424	Acidic fraction
1689	59	34	1	0	0	43	758.272	0.000844	Acidic fraction
1690	17	34	2	0	0	1	270.272	0.015762	Acidic fraction
1691	18	34	2	0	0	2	282.272	0.024684	Acidic fraction
1692	19	34	2	0	0	3	294.272	0.001501	Acidic fraction
1693	20	34	2	0	0	4	306.272	0.000503	Acidic fraction
1694	25	34	2	0	0	9	366.272	0.000323	Acidic fraction
1695	32	34	2	0	0	16	450.272	0.000437	Acidic fraction
1696	53	34	2	0	0	37	702.272	0.000669	Acidic fraction
1697	18	34	3	0	0	2	298.272	0.000358	Acidic fraction
1698	51	34	3	0	0	35	694.272	0.000687	Acidic fraction
1699	22	34	4	0	0	6	362.272	0.000278	Acidic fraction
1700	23	34	4	0	0	7	374.272	0.000301	Acidic fraction
1701	39	34	4	0	0	23	566.272	0.000494	Acidic fraction
1702	21	36	1	0	0	4	304.288	0.000469	Acidic fraction
1703	25	36	1	0	0	8	352.288	0.000273	Acidic fraction
1704	29	36	1	0	0	12	400.288	0.000313	Acidic fraction
1705	49	36	1	0	0	32	640.288	0.000616	Acidic fraction
1706	18	36	2	0	0	1	284.288	0.080202	Acidic fraction
1707	19	36	2	0	0	2	296.288	0.002019	Acidic fraction
1708	20	36	2	0	0	3	308.288	0.00076	Acidic fraction
1709	21	36	2	0	0	4	320.288	0.000383	Acidic fraction
1710	25	36	2	0	0	8	368.288	0.00031	Acidic fraction
1711	36	36	2	0	0	19	500.288	0.00056	Acidic fraction
1712	18	36	3	0	0	1	300.288	0.000227	Acidic fraction
1713	58	36	3	0	0	41	780.288	0.000773	Acidic fraction
1714	19	38	2	0	0	1	298.304	0.00183	Acidic fraction
1715	20	38	2	0	0	2	310.304	0.000846	Acidic fraction
1716	21	38	2	0	0	3	322.304	0.000352	Acidic fraction
1717	44	38	2	0	0	26	598.304	0.000741	Acidic fraction
1718	57	38	3	0	0	39	770.304	0.000798	Acidic fraction
1719	19	38	4	0	0	1	330.304	0.000245	Acidic fraction
1720	27	38	4	0	0	9	426.304	0.000339	Acidic fraction
1721	42	38	4	0	0	24	606.304	0.000681	Acidic fraction
1722	44	38	4	0	0	26	630.304	0.000735	Acidic fraction
1723	29	40	1	0	0	10	404.32	0.000373	Acidic fraction
1724	20	40	2	0	0	1	312.32	0.001601	Acidic fraction
1725	21	40	2	0	0	2	324.32	0.000348	Acidic fraction
1726	48	40	2	0	0	29	648.32	0.000628	Acidic fraction
1727	19	40	3	0	0	0	316.32	0.000243	Acidic fraction
1728	29	40	3	0	0	10	436.32	0.000369	Acidic fraction
1729	48	40	3	0	0	29	664.32	0.000623	Acidic fraction
1730	48	40	4	0	0	29	680.32	0.000688	Acidic fraction
1731	20	42	1	0	0	0	298.336	0.000222	Acidic fraction
1732	23	42	1	0	0	3	334.336	0.000255	Acidic fraction
1733	21	42	2	0	0	1	326.336	0.000311	Acidic fraction
1734	26	42	2	0	0	6	386.336	0.000394	Acidic fraction
1735	31	42	2	0	0	11	446.336	0.000363	Acidic fraction
1736	37	42	2	0	0	17	518.336	0.000467	Acidic fraction
1737	20	42	4	0	0	0	346.336	0.000278	Acidic fraction
1738	26	42	4	0	0	6	418.336	0.000385	Acidic fraction
1739	29	42	4	0	0	9	454.336	0.000386	Acidic fraction
1740	36	42	4	0	0	16	538.336	0.00053	Acidic fraction
1741	37	42	4	0	0	17	550.336	0.000489	Acidic fraction
1742	26	44	1	0	0	5	372.352	0.00034	Acidic fraction
1743	24	44	2	0	0	3	364.352	0.00028	Acidic fraction
1744	44	44	2	0	0	23	604.352	0.000714	Acidic fraction
1745	58	44	2	0	0	37	772.352	0.000883	Acidic fraction
1746	21	44	3	0	0	0	344.352	0.000261	Acidic fraction
1747	24	44	3	0	0	3	380.352	0.00031	Acidic fraction
1748	25	44	3	0	0	4	392.352	0.000326	Acidic fraction
1749	22	46	3	0	0	0	358.368	0.000313	Acidic fraction
1750	27	46	3	0	0	5	418.368	0.000358	Acidic fraction
1751	56	46	3	0	0	34	766.368	0.000766	Acidic fraction
1752	39	46	4	0	0	17	578.368	0.000563	Acidic fraction
1753	47	46	4	0	0	25	674.368	0.000721	Acidic fraction
1754	56	46	4	0	0	34	782.368	0.000872	Acidic fraction
1755	24	48	2	0	0	1	368.384	0.000282	Acidic fraction
1756	26	48	2	0	0	3	392.384	0.000318	Acidic fraction
1757	55	48	2	0	0	32	740.384	0.000742	Acidic fraction
1758	24	48	3	0	0	1	384.384	0.000293	Acidic fraction
1759	26	48	4	0	0	3	424.384	0.000356	Acidic fraction
1760	41	50	1	0	0	17	558.4	0.000489	Acidic fraction
1761	38	50	3	0	0	14	554.4	0.000614	Acidic fraction
1762	41	52	1	0	0	16	560.416	0.000516	Acidic fraction
1763	45	52	1	0	0	20	608.416	0.000549	Acidic fraction
1764	30	52	2	0	0	5	444.416	0.000405	Acidic fraction
1765	34	52	2	0	0	9	492.416	0.000411	Acidic fraction
1766	32	52	3	0	0	7	484.416	0.000397	Acidic fraction
1767	36	52	3	0	0	11	532.416	0.000462	Acidic fraction
1768	29	52	4	0	0	4	464.416	0.000387	Acidic fraction
1769	41	52	4	0	0	16	608.416	0.000541	Acidic fraction
1770	50	54	3	0	0	24	702.432	0.000977	Acidic fraction
1771	37	54	4	0	0	11	562.432	0.00053	Acidic fraction
1772	52	56	2	0	0	25	712.448	0.000717	Acidic fraction
1773	30	56	3	0	0	3	464.448	0.0004	Acidic fraction
1774	39	56	4	0	0	12	588.448	0.000657	Acidic fraction
1775	42	56	4	0	0	15	624.448	0.000614	Acidic fraction
1776	30	58	1	0	0	2	434.464	0.000378	Acidic fraction
1777	28	58	2	0	0	0	426.464	0.000341	Acidic fraction
1778	41	58	2	0	0	13	582.464	0.000562	Acidic fraction
1779	50	58	2	0	0	22	690.464	0.000809	Acidic fraction
1780	55	58	2	0	0	27	750.464	0.000766	Acidic fraction
1781	50	58	3	0	0	22	706.464	0.000723	Acidic fraction
1782	31	60	2	0	0	2	464.48	0.000384	Acidic fraction
1783	46	62	2	0	0	16	646.496	0.000636	Acidic fraction
1784	31	62	3	0	0	1	482.496	0.000463	Acidic fraction
1785	33	62	4	0	0	3	522.496	0.00046	Acidic fraction
1786	32	64	2	0	0	1	480.512	0.000431	Acidic fraction
1787	35	64	2	0	0	4	516.512	0.000437	Acidic fraction
1788	40	64	2	0	0	9	576.512	0.000551	Acidic fraction
1789	50	64	2	0	0	19	696.512	0.000692	Acidic fraction
1790	43	66	1	0	0	11	598.528	0.000537	Acidic fraction
1791	52	66	4	0	0	20	754.528	0.000925	Acidic fraction
1792	38	68	1	0	0	5	540.544	0.000508	Acidic fraction
1793	52	68	3	0	0	19	740.544	0.000752	Acidic fraction
1794	35	68	4	0	0	2	552.544	0.000487	Acidic fraction
1795	36	72	2	0	0	1	536.576	0.000585	Acidic fraction
1796	54	72	4	0	0	19	784.576	0.000824	Acidic fraction
1797	56	76	2	0	0	19	780.608	0.000931	Acidic fraction
1798	37	76	4	0	0	0	584.608	0.000647	Acidic fraction
1799	38	78	1	0	0	0	550.624	0.000484	Acidic fraction
1800	52	78	2	0	0	14	734.624	0.000758	Acidic fraction
1801	51	78	3	0	0	13	738.624	0.000758	Acidic fraction
1802	41	80	1	0	0	2	588.64	0.000529	Acidic fraction
1803	50	82	3	0	0	10	730.656	0.000709	Acidic fraction
1804	44	88	1	0	0	1	632.704	0.000578	Acidic fraction
1805	54	90	2	0	0	10	770.72	0.000837	Acidic fraction
1806	50	100	1	0	0	1	716.8	0.000827	Acidic fraction
1807	54	108	2	0	0	1	788.864	0.000831	Acidic fraction