vgo_27_formula

id	C	H	O	N	S	DBE	molecular_weight	mass fraction_wtpct	compound type
1	31	62	0	0	0	1	434.496	0.750778	Saturates
2	32	64	0	0	0	1	448.512	0.939277	Saturates
3	33	66	0	0	0	1	462.528	0.873494	Saturates
4	34	68	0	0	0	1	476.544	0.800297	Saturates
5	35	70	0	0	0	1	490.56	0.901734	Saturates
6	36	72	0	0	0	1	504.576	0.9506	Saturates
7	38	76	0	0	0	1	532.608	0.842511	Saturates
8	29	56	0	0	0	2	404.448	0.7865	Saturates
9	30	58	0	0	0	2	418.464	1.1349	Saturates
10	31	60	0	0	0	2	432.48	1.3116	Saturates
11	32	62	0	0	0	2	446.496	1.61163	Saturates
12	33	64	0	0	0	2	460.512	2.01964	Saturates
13	34	66	0	0	0	2	474.528	1.49461	Saturates
14	35	68	0	0	0	2	488.544	1.9623	Saturates
15	36	70	0	0	0	2	502.56	1.63996	Saturates
16	37	72	0	0	0	2	516.576	1.4984	Saturates
17	38	74	0	0	0	2	530.592	1.36075	Saturates
18	39	76	0	0	0	2	544.608	0.894833	Saturates
19	40	78	0	0	0	2	558.624	1.47658	Saturates
20	27	50	0	0	0	3	374.4	0.692237	Saturates
21	28	52	0	0	0	3	388.416	0.643473	Saturates
22	29	54	0	0	0	3	402.432	1.60336	Saturates
23	30	56	0	0	0	3	416.448	2.48574	Saturates
24	31	58	0	0	0	3	430.464	1.69968	Saturates
25	32	60	0	0	0	3	444.48	1.72053	Saturates
26	33	62	0	0	0	3	458.496	1.84981	Saturates
27	34	64	0	0	0	3	472.512	1.85309	Saturates
28	35	66	0	0	0	3	486.528	1.83222	Saturates
29	36	68	0	0	0	3	500.544	1.17631	Saturates
30	37	70	0	0	0	3	514.56	1.09985	Saturates
31	39	74	0	0	0	3	542.592	0.837948	Saturates
32	40	76	0	0	0	3	556.608	0.929192	Saturates
33	24	42	0	0	0	4	330.336	0.042519	Saturates
34	25	44	0	0	0	4	344.352	0.046309	Saturates
35	26	46	0	0	0	4	358.368	0.076854	Saturates
36	27	48	0	0	0	4	372.384	0.297689	Saturates
37	28	50	0	0	0	4	386.4	0.371113	Saturates
38	29	52	0	0	0	4	400.416	0.906665	Saturates
39	30	54	0	0	0	4	414.432	1.36938	Saturates
40	31	56	0	0	0	4	428.448	0.708775	Saturates
41	32	58	0	0	0	4	442.464	0.527567	Saturates
42	33	60	0	0	0	4	456.48	0.417704	Saturates
43	34	62	0	0	0	4	470.496	0.338214	Saturates
44	35	64	0	0	0	4	484.512	0.249469	Saturates
45	36	66	0	0	0	4	498.528	0.191871	Saturates
46	37	68	0	0	0	4	512.544	0.135066	Saturates
47	38	70	0	0	0	4	526.56	0.127691	Saturates
48	39	72	0	0	0	4	540.576	0.121562	Saturates
49	40	74	0	0	0	4	554.592	0.103849	Saturates
50	11	14	0	0	0	5	146.112	0.003262	Saturates
51	26	44	0	0	0	5	356.352	0.019057	Saturates
52	27	46	0	0	0	5	370.368	0.07164	Saturates
53	28	48	0	0	0	5	384.384	0.111433	Saturates
54	29	50	0	0	0	5	398.4	0.3351	Saturates
55	30	52	0	0	0	5	412.416	0.409285	Saturates
56	31	54	0	0	0	5	426.432	0.225935	Saturates
57	32	56	0	0	0	5	440.448	0.160331	Saturates
58	33	58	0	0	0	5	454.464	0.112606	Saturates
59	34	60	0	0	0	5	468.48	0.086829	Saturates
60	35	62	0	0	0	5	482.496	0.065419	Saturates
61	36	64	0	0	0	5	496.512	0.04639	Saturates
62	37	66	0	0	0	5	510.528	0.03634	Saturates
63	38	68	0	0	0	5	524.544	0.033406	Saturates
64	39	70	0	0	0	5	538.56	0.030271	Saturates
65	40	72	0	0	0	5	552.576	0.03404	Saturates
66	42	76	0	0	0	5	580.608	0.017435	Saturates
67	27	44	0	0	0	6	368.352	0.013078	Saturates
68	28	46	0	0	0	6	382.368	0.020121	Saturates
69	29	48	0	0	0	6	396.384	0.040988	Saturates
70	30	50	0	0	0	6	410.4	0.056567	Saturates
71	31	52	0	0	0	6	424.416	0.046607	Saturates
72	32	54	0	0	0	6	438.432	0.043427	Saturates
73	33	56	0	0	0	6	452.448	0.037717	Saturates
74	34	58	0	0	0	6	466.464	0.036372	Saturates
75	35	60	0	0	0	6	480.48	0.035808	Saturates
76	36	62	0	0	0	6	494.496	0.026986	Saturates
77	37	64	0	0	0	6	508.512	0.027685	Saturates
78	38	66	0	0	0	6	522.528	0.021571	Saturates
79	39	68	0	0	0	6	536.544	0.018745	Saturates
80	40	70	0	0	0	6	550.56	0.026504	Saturates
81	18	14	0	0	0	12	230.112	0.022684	Aromatics
82	18	16	0	0	0	11	232.128	0.021727	Aromatics
83	18	18	0	0	0	10	234.144	0.024434	Aromatics
84	18	20	0	0	0	9	236.16	0.013045	Aromatics
85	19	16	0	0	0	12	244.128	0.06241	Aromatics
86	19	18	0	0	0	11	246.144	0.05339	Aromatics
87	19	20	0	0	0	10	248.16	0.034179	Aromatics
88	19	22	0	0	0	9	250.176	0.031144	Aromatics
89	19	24	0	0	0	8	252.192	0.01616	Aromatics
90	19	16	0	0	0	12	244.128	0.025909	Aromatics
91	20	16	0	0	0	13	256.128	0.062553	Aromatics
92	20	18	0	0	0	12	258.144	0.119289	Aromatics
93	20	20	0	0	0	11	260.16	0.10948	Aromatics
94	20	22	0	0	0	10	262.176	0.047988	Aromatics
95	20	24	0	0	0	9	264.192	0.047962	Aromatics
96	20	26	0	0	0	8	266.208	0.022404	Aromatics
97	20	18	0	0	0	12	258.144	0.028638	Aromatics
98	21	14	0	0	0	15	266.112	0.052516	Aromatics
99	21	16	0	0	0	14	268.128	0.048493	Aromatics
100	21	18	0	0	0	13	270.144	0.158967	Aromatics
101	21	20	0	0	0	12	272.16	0.159391	Aromatics
102	21	22	0	0	0	11	274.176	0.167959	Aromatics
103	21	24	0	0	0	10	276.192	0.072896	Aromatics
104	21	26	0	0	0	9	278.208	0.075878	Aromatics
105	21	28	0	0	0	8	280.224	0.033315	Aromatics
106	21	20	0	0	0	12	272.16	0.030517	Aromatics
107	22	16	0	0	0	15	280.128	0.102914	Aromatics
108	22	18	0	0	0	14	282.144	0.13798	Aromatics
109	22	20	0	0	0	13	284.16	0.218031	Aromatics
110	22	22	0	0	0	12	286.176	0.195841	Aromatics
111	22	24	0	0	0	11	288.192	0.203253	Aromatics
112	22	26	0	0	0	10	290.208	0.110887	Aromatics
113	22	28	0	0	0	9	292.224	0.104133	Aromatics
114	22	30	0	0	0	8	294.24	0.036404	Aromatics
115	22	22	0	0	0	12	286.176	0.027891	Aromatics
116	23	16	0	0	0	16	292.128	0.028812	Aromatics
117	23	18	0	0	0	15	294.144	0.136944	Aromatics
118	23	20	0	0	0	14	296.16	0.190514	Aromatics
119	23	22	0	0	0	13	298.176	0.244845	Aromatics
120	23	24	0	0	0	12	300.192	0.249472	Aromatics
121	23	26	0	0	0	11	302.208	0.213279	Aromatics
122	23	28	0	0	0	10	304.224	0.145619	Aromatics
123	23	30	0	0	0	9	306.24	0.119451	Aromatics
124	23	32	0	0	0	8	308.256	0.056148	Aromatics
125	23	34	0	0	0	7	310.272	0.031443	Aromatics
126	23	24	0	0	0	12	300.192	0.034043	Aromatics
127	24	18	0	0	0	16	306.144	0.061394	Aromatics
128	24	20	0	0	0	15	308.16	0.140375	Aromatics
129	24	22	0	0	0	14	310.176	0.225843	Aromatics
130	24	24	0	0	0	13	312.192	0.264312	Aromatics
131	24	26	0	0	0	12	314.208	0.314128	Aromatics
132	24	28	0	0	0	11	316.224	0.236733	Aromatics
133	24	30	0	0	0	10	318.24	0.17949	Aromatics
134	24	32	0	0	0	9	320.256	0.127563	Aromatics
135	24	34	0	0	0	8	322.272	0.080977	Aromatics
136	24	36	0	0	0	7	324.288	0.035892	Aromatics
137	24	24	0	0	0	13	312.192	0.025514	Aromatics
138	24	26	0	0	0	12	314.208	0.033556	Aromatics
139	25	20	0	0	0	16	320.16	0.073459	Aromatics
140	25	22	0	0	0	15	322.176	0.142056	Aromatics
141	25	24	0	0	0	14	324.192	0.256779	Aromatics
142	25	26	0	0	0	13	326.208	0.30512	Aromatics
143	25	28	0	0	0	12	328.224	0.345427	Aromatics
144	25	30	0	0	0	11	330.24	0.304865	Aromatics
145	25	32	0	0	0	10	332.256	0.22639	Aromatics
146	25	34	0	0	0	9	334.272	0.156258	Aromatics
147	25	36	0	0	0	8	336.288	0.107808	Aromatics
148	25	38	0	0	0	7	338.304	0.05312	Aromatics
149	25	28	0	0	0	12	328.224	0.041113	Aromatics
150	26	22	0	0	0	16	334.176	0.086442	Aromatics
151	26	24	0	0	0	15	336.192	0.137113	Aromatics
152	26	26	0	0	0	14	338.208	0.242213	Aromatics
153	26	28	0	0	0	13	340.224	0.314238	Aromatics
154	26	30	0	0	0	12	342.24	0.385192	Aromatics
155	26	32	0	0	0	11	344.256	0.388501	Aromatics
156	26	34	0	0	0	10	346.272	0.304771	Aromatics
157	26	36	0	0	0	9	348.288	0.194292	Aromatics
158	26	38	0	0	0	8	350.304	0.163585	Aromatics
159	26	40	0	0	0	7	352.32	0.067439	Aromatics
160	26	42	0	0	0	6	354.336	0.026879	Aromatics
161	27	24	0	0	0	16	348.192	0.084801	Aromatics
162	27	26	0	0	0	15	350.208	0.132189	Aromatics
163	27	28	0	0	0	14	352.224	0.19355	Aromatics
164	27	30	0	0	0	13	354.24	0.288863	Aromatics
165	27	32	0	0	0	12	356.256	0.398202	Aromatics
166	27	34	0	0	0	11	358.272	0.564355	Aromatics
167	27	36	0	0	0	10	360.288	0.445151	Aromatics
168	27	38	0	0	0	9	362.304	0.2976	Aromatics
169	27	40	0	0	0	8	364.32	0.238011	Aromatics
170	27	42	0	0	0	7	366.336	0.10451	Aromatics
171	27	44	0	0	0	6	368.352	0.048736	Aromatics
172	28	26	0	0	0	16	362.208	0.081647	Aromatics
173	28	28	0	0	0	15	364.224	0.126234	Aromatics
174	28	30	0	0	0	14	366.24	0.168434	Aromatics
175	28	32	0	0	0	13	368.256	0.27266	Aromatics
176	28	34	0	0	0	12	370.272	0.385598	Aromatics
177	28	36	0	0	0	11	372.288	0.667339	Aromatics
178	28	38	0	0	0	10	374.304	0.531763	Aromatics
179	28	40	0	0	0	9	376.32	0.394056	Aromatics
180	28	42	0	0	0	8	378.336	0.33772	Aromatics
181	28	44	0	0	0	7	380.352	0.132643	Aromatics
182	28	46	0	0	0	6	382.368	0.065995	Aromatics
183	28	48	0	0	0	5	384.384	0.041917	Aromatics
184	29	28	0	0	0	16	376.224	0.071724	Aromatics
185	29	30	0	0	0	15	378.24	0.103277	Aromatics
186	29	32	0	0	0	14	380.256	0.160588	Aromatics
187	29	34	0	0	0	13	382.272	0.238921	Aromatics
188	29	36	0	0	0	12	384.288	0.317969	Aromatics
189	29	38	0	0	0	11	386.304	0.729443	Aromatics
190	29	40	0	0	0	10	388.32	0.471312	Aromatics
191	29	42	0	0	0	9	390.336	0.451384	Aromatics
192	29	44	0	0	0	8	392.352	0.471973	Aromatics
193	29	46	0	0	0	7	394.368	0.258316	Aromatics
194	29	48	0	0	0	6	396.384	0.108879	Aromatics
195	29	50	0	0	0	5	398.4	0.055076	Aromatics
196	30	30	0	0	0	16	390.24	0.064026	Aromatics
197	30	32	0	0	0	15	392.256	0.090633	Aromatics
198	30	34	0	0	0	14	394.272	0.126425	Aromatics
199	30	36	0	0	0	13	396.288	0.185111	Aromatics
200	30	38	0	0	0	12	398.304	0.258067	Aromatics
201	30	40	0	0	0	11	400.32	0.445715	Aromatics
202	30	42	0	0	0	10	402.336	0.419029	Aromatics
203	30	44	0	0	0	9	404.352	0.45127	Aromatics
204	30	46	0	0	0	8	406.368	0.402521	Aromatics
205	30	48	0	0	0	7	408.384	0.305549	Aromatics
206	30	50	0	0	0	6	410.4	0.135405	Aromatics
207	30	52	0	0	0	5	412.416	0.079556	Aromatics
208	30	54	0	0	0	4	414.432	0.034275	Aromatics
209	31	34	0	0	0	15	406.272	0.073756	Aromatics
210	31	36	0	0	0	14	408.288	0.1143	Aromatics
211	31	38	0	0	0	13	410.304	0.153063	Aromatics
212	31	40	0	0	0	12	412.32	0.221571	Aromatics
213	31	42	0	0	0	11	414.336	0.33792	Aromatics
214	31	44	0	0	0	10	416.352	0.361192	Aromatics
215	31	46	0	0	0	9	418.368	0.410223	Aromatics
216	31	48	0	0	0	8	420.384	0.334811	Aromatics
217	31	50	0	0	0	7	422.4	0.257421	Aromatics
218	31	52	0	0	0	6	424.416	0.149811	Aromatics
219	31	54	0	0	0	5	426.432	0.106661	Aromatics
220	32	36	0	0	0	15	420.288	0.067215	Aromatics
221	32	38	0	0	0	14	422.304	0.087337	Aromatics
222	32	40	0	0	0	13	424.32	0.130472	Aromatics
223	32	42	0	0	0	12	426.336	0.193693	Aromatics
224	32	44	0	0	0	11	428.352	0.311087	Aromatics
225	32	46	0	0	0	10	430.368	0.310656	Aromatics
226	32	48	0	0	0	9	432.384	0.361834	Aromatics
227	32	50	0	0	0	8	434.4	0.371114	Aromatics
228	32	52	0	0	0	7	436.416	0.242508	Aromatics
229	32	54	0	0	0	6	438.432	0.138635	Aromatics
230	32	56	0	0	0	5	440.448	0.097763	Aromatics
231	32	58	0	0	0	4	442.464	0.044586	Aromatics
232	33	40	0	0	0	14	436.32	0.071714	Aromatics
233	33	42	0	0	0	13	438.336	0.114971	Aromatics
234	33	44	0	0	0	12	440.352	0.17701	Aromatics
235	33	46	0	0	0	11	442.368	0.221344	Aromatics
236	33	48	0	0	0	10	444.384	0.259199	Aromatics
237	33	50	0	0	0	9	446.4	0.33211	Aromatics
238	33	52	0	0	0	8	448.416	0.367075	Aromatics
239	33	54	0	0	0	7	450.432	0.247355	Aromatics
240	33	56	0	0	0	6	452.448	0.15263	Aromatics
241	33	58	0	0	0	5	454.464	0.111947	Aromatics
242	33	60	0	0	0	4	456.48	0.05041	Aromatics
243	34	42	0	0	0	14	450.336	0.072188	Aromatics
244	34	44	0	0	0	13	452.352	0.090338	Aromatics
245	34	46	0	0	0	12	454.368	0.131256	Aromatics
246	34	48	0	0	0	11	456.384	0.180635	Aromatics
247	34	50	0	0	0	10	458.4	0.217136	Aromatics
248	34	52	0	0	0	9	460.416	0.265019	Aromatics
249	34	58	0	0	0	6	466.464	0.157545	Aromatics
250	34	60	0	0	0	5	468.48	0.112747	Aromatics
251	34	62	0	0	0	4	470.496	0.059059	Aromatics
252	35	46	0	0	0	13	466.368	0.066727	Aromatics
253	35	48	0	0	0	12	468.384	0.100823	Aromatics
254	35	50	0	0	0	11	470.4	0.139063	Aromatics
255	35	52	0	0	0	10	472.416	0.181064	Aromatics
256	35	54	0	0	0	9	474.432	0.207627	Aromatics
257	35	56	0	0	0	8	476.448	0.239379	Aromatics
258	35	60	0	0	0	6	480.48	0.131985	Aromatics
259	35	62	0	0	0	5	482.496	0.106342	Aromatics
260	35	64	0	0	0	4	484.512	0.044602	Aromatics
261	35	60	0	0	0	6	480.48	0.108771	Aromatics
262	36	50	0	0	0	12	482.4	0.095533	Aromatics
263	36	52	0	0	0	11	484.416	0.108434	Aromatics
264	36	54	0	0	0	10	486.432	0.131731	Aromatics
265	36	56	0	0	0	9	488.448	0.172546	Aromatics
266	36	62	0	0	0	6	494.496	0.108549	Aromatics
267	36	64	0	0	0	5	496.512	0.076773	Aromatics
268	36	66	0	0	0	4	498.528	0.043587	Aromatics
269	37	50	0	0	0	13	494.4	0.044749	Aromatics
270	37	52	0	0	0	12	496.416	0.074747	Aromatics
271	37	54	0	0	0	11	498.432	0.093497	Aromatics
272	37	56	0	0	0	10	500.448	0.108667	Aromatics
273	37	58	0	0	0	9	502.464	0.111017	Aromatics
274	37	60	0	0	0	8	504.48	0.145541	Aromatics
275	37	64	0	0	0	6	508.512	0.103823	Aromatics
276	37	66	0	0	0	5	510.528	0.074009	Aromatics
277	38	54	0	0	0	12	510.432	0.043807	Aromatics
278	38	58	0	0	0	10	514.464	0.078087	Aromatics
279	38	60	0	0	0	9	516.48	0.120754	Aromatics
280	38	62	0	0	0	8	518.496	0.1136	Aromatics
281	38	64	0	0	0	7	520.512	0.090617	Aromatics
282	38	66	0	0	0	6	522.528	0.076865	Aromatics
283	38	68	0	0	0	5	524.544	0.075211	Aromatics
284	38	70	0	0	0	4	526.56	0.040491	Aromatics
285	39	58	0	0	0	11	526.464	0.063307	Aromatics
286	39	60	0	0	0	10	528.48	0.073877	Aromatics
287	39	64	0	0	0	8	532.512	0.078238	Aromatics
288	39	66	0	0	0	7	534.528	0.082914	Aromatics
289	39	68	0	0	0	6	536.544	0.066532	Aromatics
290	39	70	0	0	0	5	538.56	0.049946	Aromatics
291	40	58	0	0	0	12	538.464	0.036141	Aromatics
292	40	60	0	0	0	11	540.48	0.084139	Aromatics
293	40	62	0	0	0	10	542.496	0.089252	Aromatics
294	40	64	0	0	0	9	544.512	0.085593	Aromatics
295	40	66	0	0	0	8	546.528	0.088651	Aromatics
296	40	68	0	0	0	7	548.544	0.07192	Aromatics
297	40	70	0	0	0	6	550.56	0.072639	Aromatics
298	19	13	0	1	1	14	287.174	0.000586	Neutral nitrogen compounds
299	18	13	1	1	0	13	259.114	0.000119	Neutral nitrogen compounds
300	19	13	1	1	0	14	271.114	0.000377	Neutral nitrogen compounds
301	17	13	2	1	0	12	263.114	0.000104	Neutral nitrogen compounds
302	13	13	0	1	0	8	183.114	5.9e-05	Neutral nitrogen compounds
303	14	13	0	1	0	9	195.114	6.1e-05	Neutral nitrogen compounds
304	15	13	0	1	0	10	207.114	0.000105	Neutral nitrogen compounds
305	16	13	0	1	0	11	219.114	0.000114	Neutral nitrogen compounds
306	17	13	0	1	0	12	231.114	0.001045	Neutral nitrogen compounds
307	18	13	0	1	0	13	243.114	0.000214	Neutral nitrogen compounds
308	19	13	0	1	0	14	255.114	0.000445	Neutral nitrogen compounds
309	20	13	0	1	0	15	267.114	0.005499	Neutral nitrogen compounds
310	21	13	0	1	0	16	279.114	0.000106	Neutral nitrogen compounds
311	22	13	0	1	0	17	291.114	0.000256	Neutral nitrogen compounds
312	17	14	1	2	0	12	262.132	8.3e-05	Neutral nitrogen compounds
313	20	14	0	2	0	15	282.132	0.000236	Neutral nitrogen compounds
314	17	15	0	1	1	11	265.19	0.00011	Neutral nitrogen compounds
315	20	15	0	1	1	14	301.19	0.001323	Neutral nitrogen compounds
316	18	15	1	1	0	12	261.13	0.000122	Neutral nitrogen compounds
317	19	15	1	1	0	13	273.13	0.00019	Neutral nitrogen compounds
318	20	15	1	1	0	14	285.13	0.001669	Neutral nitrogen compounds
319	21	15	1	1	0	15	297.13	0.000163	Neutral nitrogen compounds
320	23	15	1	1	0	17	321.13	0.000254	Neutral nitrogen compounds
321	18	15	2	1	0	12	277.13	0.000101	Neutral nitrogen compounds
322	19	15	2	1	0	13	289.13	0.000102	Neutral nitrogen compounds
323	20	15	2	1	0	14	301.13	0.000127	Neutral nitrogen compounds
324	14	15	0	1	0	8	197.13	6.9e-05	Neutral nitrogen compounds
325	15	15	0	1	0	9	209.13	0.00013	Neutral nitrogen compounds
326	16	15	0	1	0	10	221.13	0.000145	Neutral nitrogen compounds
327	17	15	0	1	0	11	233.13	0.000105	Neutral nitrogen compounds
328	18	15	0	1	0	12	245.13	0.006226	Neutral nitrogen compounds
329	19	15	0	1	0	13	257.13	0.001843	Neutral nitrogen compounds
330	20	15	0	1	0	14	269.13	0.003012	Neutral nitrogen compounds
331	21	15	0	1	0	15	281.13	0.034565	Neutral nitrogen compounds
332	22	15	0	1	0	16	293.13	0.001175	Neutral nitrogen compounds
333	23	15	0	1	0	17	305.13	0.001031	Neutral nitrogen compounds
334	24	15	0	1	0	18	317.13	0.000315	Neutral nitrogen compounds
335	18	16	1	2	0	12	276.148	9.6e-05	Neutral nitrogen compounds
336	20	16	0	2	0	14	284.148	0.000202	Neutral nitrogen compounds
337	21	16	0	2	0	15	296.148	0.000245	Neutral nitrogen compounds
338	18	17	0	1	1	11	279.206	0.000224	Neutral nitrogen compounds
339	19	17	0	1	1	12	291.206	0.000119	Neutral nitrogen compounds
340	21	17	0	1	1	14	315.206	0.001906	Neutral nitrogen compounds
341	17	17	1	1	0	10	251.146	9.4e-05	Neutral nitrogen compounds
342	18	17	1	1	0	11	263.146	0.000182	Neutral nitrogen compounds
343	19	17	1	1	0	12	275.146	0.00021	Neutral nitrogen compounds
344	20	17	1	1	0	13	287.146	0.00032	Neutral nitrogen compounds
345	21	17	1	1	0	14	299.146	0.003818	Neutral nitrogen compounds
346	22	17	1	1	0	15	311.146	0.000399	Neutral nitrogen compounds
347	23	17	1	1	0	16	323.146	0.000217	Neutral nitrogen compounds
348	24	17	1	1	0	17	335.146	0.000444	Neutral nitrogen compounds
349	25	17	1	1	0	18	347.146	0.00014	Neutral nitrogen compounds
350	19	17	2	1	0	12	291.146	0.000172	Neutral nitrogen compounds
351	20	17	2	1	0	13	303.146	0.000133	Neutral nitrogen compounds
352	21	17	2	1	0	14	315.146	0.000142	Neutral nitrogen compounds
353	22	17	2	1	0	15	327.146	0.000116	Neutral nitrogen compounds
354	15	17	0	1	0	8	211.146	6.9e-05	Neutral nitrogen compounds
355	16	17	0	1	0	9	223.146	0.000203	Neutral nitrogen compounds
356	17	17	0	1	0	10	235.146	0.000252	Neutral nitrogen compounds
357	18	17	0	1	0	11	247.146	0.000297	Neutral nitrogen compounds
358	19	17	0	1	0	12	259.146	0.021387	Neutral nitrogen compounds
359	20	17	0	1	0	13	271.146	0.010399	Neutral nitrogen compounds
360	21	17	0	1	0	14	283.146	0.009894	Neutral nitrogen compounds
361	22	17	0	1	0	15	295.146	0.052985	Neutral nitrogen compounds
362	23	17	0	1	0	16	307.146	0.005043	Neutral nitrogen compounds
363	24	17	0	1	0	17	319.146	0.001808	Neutral nitrogen compounds
364	25	17	0	1	0	18	331.146	0.000775	Neutral nitrogen compounds
365	19	18	1	2	0	12	290.164	0.000145	Neutral nitrogen compounds
366	19	18	0	2	0	12	274.164	0.00013	Neutral nitrogen compounds
367	21	18	0	2	0	14	298.164	0.00039	Neutral nitrogen compounds
368	22	18	0	2	0	15	310.164	0.000393	Neutral nitrogen compounds
369	23	18	0	2	0	16	322.164	0.000131	Neutral nitrogen compounds
370	19	19	0	1	1	11	293.222	0.000325	Neutral nitrogen compounds
371	20	19	0	1	1	12	305.222	0.000236	Neutral nitrogen compounds
372	22	19	0	1	1	14	329.222	0.001264	Neutral nitrogen compounds
373	23	19	0	1	1	15	341.222	0.000229	Neutral nitrogen compounds
374	18	19	1	1	0	10	265.162	0.000103	Neutral nitrogen compounds
375	19	19	1	1	0	11	277.162	0.000308	Neutral nitrogen compounds
376	20	19	1	1	0	12	289.162	0.000347	Neutral nitrogen compounds
377	21	19	1	1	0	13	301.162	0.000719	Neutral nitrogen compounds
378	22	19	1	1	0	14	313.162	0.005334	Neutral nitrogen compounds
379	23	19	1	1	0	15	325.162	0.000758	Neutral nitrogen compounds
380	24	19	1	1	0	16	337.162	0.000375	Neutral nitrogen compounds
381	25	19	1	1	0	17	349.162	0.000355	Neutral nitrogen compounds
382	26	19	1	1	0	18	361.162	0.000139	Neutral nitrogen compounds
383	18	19	2	1	0	10	281.162	0.000135	Neutral nitrogen compounds
384	19	19	2	1	0	11	293.162	0.000176	Neutral nitrogen compounds
385	20	19	2	1	0	12	305.162	0.000263	Neutral nitrogen compounds
386	21	19	2	1	0	13	317.162	0.000357	Neutral nitrogen compounds
387	22	19	2	1	0	14	329.162	0.000316	Neutral nitrogen compounds
388	23	19	2	1	0	15	341.162	0.000132	Neutral nitrogen compounds
389	17	19	0	1	0	9	237.162	0.000316	Neutral nitrogen compounds
390	18	19	0	1	0	10	249.162	0.000786	Neutral nitrogen compounds
391	19	19	0	1	0	11	261.162	0.000673	Neutral nitrogen compounds
392	20	19	0	1	0	12	273.162	0.028718	Neutral nitrogen compounds
393	21	19	0	1	0	13	285.162	0.023936	Neutral nitrogen compounds
394	22	19	0	1	0	14	297.162	0.016108	Neutral nitrogen compounds
395	23	19	0	1	0	15	309.162	0.034158	Neutral nitrogen compounds
396	24	19	0	1	0	16	321.162	0.009722	Neutral nitrogen compounds
397	25	19	0	1	0	17	333.162	0.002252	Neutral nitrogen compounds
398	26	19	0	1	0	18	345.162	0.000793	Neutral nitrogen compounds
399	27	19	0	1	0	19	357.162	0.000231	Neutral nitrogen compounds
400	20	20	1	2	0	12	304.18	0.000135	Neutral nitrogen compounds
401	21	20	1	2	0	13	316.18	0.000117	Neutral nitrogen compounds
402	20	20	0	2	0	12	288.18	0.000261	Neutral nitrogen compounds
403	21	20	0	2	0	13	300.18	0.000281	Neutral nitrogen compounds
404	22	20	0	2	0	14	312.18	0.000481	Neutral nitrogen compounds
405	23	20	0	2	0	15	324.18	0.000516	Neutral nitrogen compounds
406	24	20	0	2	0	16	336.18	0.000252	Neutral nitrogen compounds
407	26	20	0	2	0	18	360.18	0.000182	Neutral nitrogen compounds
408	20	21	0	1	1	11	307.238	0.000375	Neutral nitrogen compounds
409	21	21	0	1	1	12	319.238	0.000277	Neutral nitrogen compounds
410	22	21	0	1	1	13	331.238	0.000112	Neutral nitrogen compounds
411	23	21	0	1	1	14	343.238	0.000872	Neutral nitrogen compounds
412	24	21	0	1	1	15	355.238	0.000283	Neutral nitrogen compounds
413	19	21	1	1	0	10	279.178	0.00017	Neutral nitrogen compounds
414	20	21	1	1	0	11	291.178	0.000464	Neutral nitrogen compounds
415	21	21	1	1	0	12	303.178	0.000685	Neutral nitrogen compounds
416	22	21	1	1	0	13	315.178	0.001334	Neutral nitrogen compounds
417	23	21	1	1	0	14	327.178	0.004494	Neutral nitrogen compounds
418	24	21	1	1	0	15	339.178	0.001034	Neutral nitrogen compounds
419	25	21	1	1	0	16	351.178	0.000557	Neutral nitrogen compounds
420	26	21	1	1	0	17	363.178	0.000328	Neutral nitrogen compounds
421	27	21	1	1	0	18	375.178	0.000258	Neutral nitrogen compounds
422	19	21	2	1	0	10	295.178	0.000175	Neutral nitrogen compounds
423	20	21	2	1	0	11	307.178	0.000302	Neutral nitrogen compounds
424	21	21	2	1	0	12	319.178	0.000534	Neutral nitrogen compounds
425	22	21	2	1	0	13	331.178	0.000453	Neutral nitrogen compounds
426	23	21	2	1	0	14	343.178	0.000319	Neutral nitrogen compounds
427	24	21	2	1	0	15	355.178	0.000195	Neutral nitrogen compounds
428	17	21	0	1	0	8	239.178	7.4e-05	Neutral nitrogen compounds
429	18	21	0	1	0	9	251.178	0.000502	Neutral nitrogen compounds
430	19	21	0	1	0	10	263.178	0.002262	Neutral nitrogen compounds
431	20	21	0	1	0	11	275.178	0.002933	Neutral nitrogen compounds
432	21	21	0	1	0	12	287.178	0.042749	Neutral nitrogen compounds
433	22	21	0	1	0	13	299.178	0.056633	Neutral nitrogen compounds
434	23	21	0	1	0	14	311.178	0.020649	Neutral nitrogen compounds
435	24	21	0	1	0	15	323.178	0.030692	Neutral nitrogen compounds
436	25	21	0	1	0	16	335.178	0.013281	Neutral nitrogen compounds
437	26	21	0	1	0	17	347.178	0.002852	Neutral nitrogen compounds
438	27	21	0	1	0	18	359.178	0.001034	Neutral nitrogen compounds
439	28	21	0	1	0	19	371.178	0.000364	Neutral nitrogen compounds
440	21	22	1	2	0	12	318.196	0.000128	Neutral nitrogen compounds
441	22	22	1	2	0	13	330.196	0.000118	Neutral nitrogen compounds
442	21	22	0	2	0	12	302.196	0.000518	Neutral nitrogen compounds
443	22	22	0	2	0	13	314.196	0.000497	Neutral nitrogen compounds
444	23	22	0	2	0	14	326.196	0.000475	Neutral nitrogen compounds
445	24	22	0	2	0	15	338.196	0.000424	Neutral nitrogen compounds
446	25	22	0	2	0	16	350.196	0.000214	Neutral nitrogen compounds
447	27	22	0	2	0	18	374.196	0.00016	Neutral nitrogen compounds
448	21	23	0	1	1	11	321.254	0.000533	Neutral nitrogen compounds
449	22	23	0	1	1	12	333.254	0.000491	Neutral nitrogen compounds
450	23	23	0	1	1	13	345.254	0.00014	Neutral nitrogen compounds
451	24	23	0	1	1	14	357.254	0.000615	Neutral nitrogen compounds
452	25	23	0	1	1	15	369.254	0.000265	Neutral nitrogen compounds
453	20	23	1	1	0	10	293.194	0.000227	Neutral nitrogen compounds
454	21	23	1	1	0	11	305.194	0.0008	Neutral nitrogen compounds
455	22	23	1	1	0	12	317.194	0.001035	Neutral nitrogen compounds
456	23	23	1	1	0	13	329.194	0.002133	Neutral nitrogen compounds
457	24	23	1	1	0	14	341.194	0.003799	Neutral nitrogen compounds
458	25	23	1	1	0	15	353.194	0.001283	Neutral nitrogen compounds
459	26	23	1	1	0	16	365.194	0.000773	Neutral nitrogen compounds
460	27	23	1	1	0	17	377.194	0.000302	Neutral nitrogen compounds
461	28	23	1	1	0	18	389.194	0.000334	Neutral nitrogen compounds
462	20	23	2	1	0	10	309.194	0.000185	Neutral nitrogen compounds
463	21	23	2	1	0	11	321.194	0.000733	Neutral nitrogen compounds
464	22	23	2	1	0	12	333.194	0.000956	Neutral nitrogen compounds
465	23	23	2	1	0	13	345.194	0.000607	Neutral nitrogen compounds
466	24	23	2	1	0	14	357.194	0.000417	Neutral nitrogen compounds
467	25	23	2	1	0	15	369.194	0.000166	Neutral nitrogen compounds
468	18	23	0	1	0	8	253.194	7.7e-05	Neutral nitrogen compounds
469	19	23	0	1	0	9	265.194	0.00109	Neutral nitrogen compounds
470	20	23	0	1	0	10	277.194	0.005572	Neutral nitrogen compounds
471	21	23	0	1	0	11	289.194	0.007817	Neutral nitrogen compounds
472	22	23	0	1	0	12	301.194	0.07627	Neutral nitrogen compounds
473	23	23	0	1	0	13	313.194	0.063063	Neutral nitrogen compounds
474	24	23	0	1	0	14	325.194	0.033178	Neutral nitrogen compounds
475	25	23	0	1	0	15	337.194	0.016794	Neutral nitrogen compounds
476	26	23	0	1	0	16	349.194	0.010028	Neutral nitrogen compounds
477	27	23	0	1	0	17	361.194	0.002752	Neutral nitrogen compounds
478	28	23	0	1	0	18	373.194	0.000941	Neutral nitrogen compounds
479	29	23	0	1	0	19	385.194	0.000604	Neutral nitrogen compounds
480	21	24	1	2	0	11	320.212	0.000106	Neutral nitrogen compounds
481	22	24	1	2	0	12	332.212	0.00013	Neutral nitrogen compounds
482	23	24	1	2	0	13	344.212	0.000157	Neutral nitrogen compounds
483	21	24	0	2	0	11	304.212	0.000155	Neutral nitrogen compounds
484	22	24	0	2	0	12	316.212	0.000706	Neutral nitrogen compounds
485	23	24	0	2	0	13	328.212	0.0008	Neutral nitrogen compounds
486	24	24	0	2	0	14	340.212	0.000715	Neutral nitrogen compounds
487	25	24	0	2	0	15	352.212	0.000351	Neutral nitrogen compounds
488	26	24	0	2	0	16	364.212	0.000207	Neutral nitrogen compounds
489	28	24	0	2	0	18	388.212	0.000237	Neutral nitrogen compounds
490	22	25	0	1	1	11	335.27	0.000571	Neutral nitrogen compounds
491	23	25	0	1	1	12	347.27	0.000589	Neutral nitrogen compounds
492	24	25	0	1	1	13	359.27	0.00023	Neutral nitrogen compounds
493	25	25	0	1	1	14	371.27	0.000328	Neutral nitrogen compounds
494	26	25	0	1	1	15	383.27	0.000289	Neutral nitrogen compounds
495	21	25	1	1	0	10	307.21	0.000384	Neutral nitrogen compounds
496	22	25	1	1	0	11	319.21	0.00093	Neutral nitrogen compounds
497	23	25	1	1	0	12	331.21	0.001566	Neutral nitrogen compounds
498	24	25	1	1	0	13	343.21	0.002608	Neutral nitrogen compounds
499	25	25	1	1	0	14	355.21	0.003766	Neutral nitrogen compounds
500	26	25	1	1	0	15	367.21	0.001461	Neutral nitrogen compounds
501	27	25	1	1	0	16	379.21	0.000782	Neutral nitrogen compounds
502	28	25	1	1	0	17	391.21	0.000397	Neutral nitrogen compounds
503	29	25	1	1	0	18	403.21	0.000326	Neutral nitrogen compounds
504	20	25	2	1	0	9	311.21	0.000134	Neutral nitrogen compounds
505	21	25	2	1	0	10	323.21	0.000401	Neutral nitrogen compounds
506	22	25	2	1	0	11	335.21	0.001017	Neutral nitrogen compounds
507	23	25	2	1	0	12	347.21	0.001461	Neutral nitrogen compounds
508	24	25	2	1	0	13	359.21	0.00079	Neutral nitrogen compounds
509	25	25	2	1	0	14	371.21	0.000428	Neutral nitrogen compounds
510	26	25	2	1	0	15	383.21	0.000281	Neutral nitrogen compounds
511	18	25	0	1	0	7	255.21	0.00012	Neutral nitrogen compounds
512	19	25	0	1	0	8	267.21	0.000133	Neutral nitrogen compounds
513	20	25	0	1	0	9	279.21	0.001827	Neutral nitrogen compounds
514	21	25	0	1	0	10	291.21	0.008982	Neutral nitrogen compounds
515	22	25	0	1	0	11	303.21	0.017211	Neutral nitrogen compounds
516	23	25	0	1	0	12	315.21	0.082468	Neutral nitrogen compounds
517	24	25	0	1	0	13	327.21	0.058131	Neutral nitrogen compounds
518	25	25	0	1	0	14	339.21	0.037683	Neutral nitrogen compounds
519	26	25	0	1	0	15	351.21	0.015098	Neutral nitrogen compounds
520	27	25	0	1	0	16	363.21	0.008287	Neutral nitrogen compounds
521	28	25	0	1	0	17	375.21	0.002613	Neutral nitrogen compounds
522	29	25	0	1	0	18	387.21	0.000913	Neutral nitrogen compounds
523	30	25	0	1	0	19	399.21	0.000414	Neutral nitrogen compounds
524	22	26	1	2	0	11	334.228	0.000143	Neutral nitrogen compounds
525	21	26	0	2	0	10	306.228	0.00011	Neutral nitrogen compounds
526	22	26	0	2	0	11	318.228	0.000217	Neutral nitrogen compounds
527	23	26	0	2	0	12	330.228	0.000869	Neutral nitrogen compounds
528	24	26	0	2	0	13	342.228	0.000874	Neutral nitrogen compounds
529	25	26	0	2	0	14	354.228	0.000672	Neutral nitrogen compounds
530	26	26	0	2	0	15	366.228	0.000452	Neutral nitrogen compounds
531	27	26	0	2	0	16	378.228	0.000282	Neutral nitrogen compounds
532	29	26	0	2	0	18	402.228	0.000236	Neutral nitrogen compounds
533	21	27	0	1	1	9	325.286	0.000129	Neutral nitrogen compounds
534	22	27	0	1	1	10	337.286	0.000123	Neutral nitrogen compounds
535	23	27	0	1	1	11	349.286	0.000504	Neutral nitrogen compounds
536	24	27	0	1	1	12	361.286	0.000637	Neutral nitrogen compounds
537	25	27	0	1	1	13	373.286	0.000258	Neutral nitrogen compounds
538	26	27	0	1	1	14	385.286	0.000264	Neutral nitrogen compounds
539	27	27	0	1	1	15	397.286	0.000267	Neutral nitrogen compounds
540	21	27	1	1	0	9	309.226	0.000202	Neutral nitrogen compounds
541	22	27	1	1	0	10	321.226	0.000475	Neutral nitrogen compounds
542	23	27	1	1	0	11	333.226	0.00127	Neutral nitrogen compounds
543	24	27	1	1	0	12	345.226	0.00184	Neutral nitrogen compounds
544	25	27	1	1	0	13	357.226	0.002799	Neutral nitrogen compounds
545	26	27	1	1	0	14	369.226	0.003037	Neutral nitrogen compounds
546	27	27	1	1	0	15	381.226	0.001595	Neutral nitrogen compounds
547	28	27	1	1	0	16	393.226	0.00062	Neutral nitrogen compounds
548	29	27	1	1	0	17	405.226	0.000479	Neutral nitrogen compounds
549	30	27	1	1	0	18	417.226	0.000183	Neutral nitrogen compounds
550	21	27	2	1	0	9	325.226	0.000163	Neutral nitrogen compounds
551	22	27	2	1	0	10	337.226	0.000569	Neutral nitrogen compounds
552	23	27	2	1	0	11	349.226	0.001628	Neutral nitrogen compounds
553	24	27	2	1	0	12	361.226	0.001942	Neutral nitrogen compounds
554	25	27	2	1	0	13	373.226	0.00082	Neutral nitrogen compounds
555	26	27	2	1	0	14	385.226	0.000419	Neutral nitrogen compounds
556	27	27	2	1	0	15	397.226	0.000334	Neutral nitrogen compounds
557	19	27	0	1	0	7	269.226	9.7e-05	Neutral nitrogen compounds
558	20	27	0	1	0	8	281.226	0.000158	Neutral nitrogen compounds
559	21	27	0	1	0	9	293.226	0.003069	Neutral nitrogen compounds
560	22	27	0	1	0	10	305.226	0.016218	Neutral nitrogen compounds
561	23	27	0	1	0	11	317.226	0.031416	Neutral nitrogen compounds
562	24	27	0	1	0	12	329.226	0.082534	Neutral nitrogen compounds
563	25	27	0	1	0	13	341.226	0.052623	Neutral nitrogen compounds
564	26	27	0	1	0	14	353.226	0.026491	Neutral nitrogen compounds
565	27	27	0	1	0	15	365.226	0.011931	Neutral nitrogen compounds
566	28	27	0	1	0	16	377.226	0.005784	Neutral nitrogen compounds
567	29	27	0	1	0	17	389.226	0.002484	Neutral nitrogen compounds
568	30	27	0	1	0	18	401.226	0.000839	Neutral nitrogen compounds
569	31	27	0	1	0	19	413.226	0.000369	Neutral nitrogen compounds
570	23	28	1	2	0	11	348.244	0.000159	Neutral nitrogen compounds
571	22	28	0	2	0	10	320.244	0.000268	Neutral nitrogen compounds
572	23	28	0	2	0	11	332.244	0.000395	Neutral nitrogen compounds
573	24	28	0	2	0	12	344.244	0.000913	Neutral nitrogen compounds
574	25	28	0	2	0	13	356.244	0.000745	Neutral nitrogen compounds
575	26	28	0	2	0	14	368.244	0.000631	Neutral nitrogen compounds
576	27	28	0	2	0	15	380.244	0.000291	Neutral nitrogen compounds
577	28	28	0	2	0	16	392.244	0.000221	Neutral nitrogen compounds
578	22	29	0	1	1	9	339.302	0.000164	Neutral nitrogen compounds
579	23	29	0	1	1	10	351.302	0.00014	Neutral nitrogen compounds
580	24	29	0	1	1	11	363.302	0.000506	Neutral nitrogen compounds
581	25	29	0	1	1	12	375.302	0.000606	Neutral nitrogen compounds
582	26	29	0	1	1	13	387.302	0.000296	Neutral nitrogen compounds
583	27	29	0	1	1	14	399.302	0.000167	Neutral nitrogen compounds
584	28	29	0	1	1	15	411.302	0.000242	Neutral nitrogen compounds
585	21	29	1	1	0	8	311.242	0.000196	Neutral nitrogen compounds
586	22	29	1	1	0	9	323.242	0.000318	Neutral nitrogen compounds
587	23	29	1	1	0	10	335.242	0.000791	Neutral nitrogen compounds
588	24	29	1	1	0	11	347.242	0.001782	Neutral nitrogen compounds
589	25	29	1	1	0	12	359.242	0.001921	Neutral nitrogen compounds
590	26	29	1	1	0	13	371.242	0.002881	Neutral nitrogen compounds
591	27	29	1	1	0	14	383.242	0.002824	Neutral nitrogen compounds
592	28	29	1	1	0	15	395.242	0.001331	Neutral nitrogen compounds
593	29	29	1	1	0	16	407.242	0.000674	Neutral nitrogen compounds
594	30	29	1	1	0	17	419.242	0.000438	Neutral nitrogen compounds
595	31	29	1	1	0	18	431.242	0.000286	Neutral nitrogen compounds
596	21	29	2	1	0	8	327.242	0.000143	Neutral nitrogen compounds
597	22	29	2	1	0	9	339.242	0.000289	Neutral nitrogen compounds
598	23	29	2	1	0	10	351.242	0.000861	Neutral nitrogen compounds
599	24	29	2	1	0	11	363.242	0.001999	Neutral nitrogen compounds
600	25	29	2	1	0	12	375.242	0.001589	Neutral nitrogen compounds
601	26	29	2	1	0	13	387.242	0.000859	Neutral nitrogen compounds
602	27	29	2	1	0	14	399.242	0.00043	Neutral nitrogen compounds
603	28	29	2	1	0	15	411.242	0.000218	Neutral nitrogen compounds
604	20	29	0	1	0	7	283.242	0.000241	Neutral nitrogen compounds
605	21	29	0	1	0	8	295.242	0.000421	Neutral nitrogen compounds
606	22	29	0	1	0	9	307.242	0.00539	Neutral nitrogen compounds
607	23	29	0	1	0	10	319.242	0.021702	Neutral nitrogen compounds
608	24	29	0	1	0	11	331.242	0.035452	Neutral nitrogen compounds
609	25	29	0	1	0	12	343.242	0.076113	Neutral nitrogen compounds
610	26	29	0	1	0	13	355.242	0.05894	Neutral nitrogen compounds
611	27	29	0	1	0	14	367.242	0.029453	Neutral nitrogen compounds
612	28	29	0	1	0	15	379.242	0.009785	Neutral nitrogen compounds
613	29	29	0	1	0	16	391.242	0.00477	Neutral nitrogen compounds
614	30	29	0	1	0	17	403.242	0.002131	Neutral nitrogen compounds
615	31	29	0	1	0	18	415.242	0.000909	Neutral nitrogen compounds
616	32	29	0	1	0	19	427.242	0.000389	Neutral nitrogen compounds
617	24	30	1	2	0	11	362.26	0.000179	Neutral nitrogen compounds
618	22	30	0	2	0	9	322.26	0.00016	Neutral nitrogen compounds
619	23	30	0	2	0	10	334.26	0.000333	Neutral nitrogen compounds
620	24	30	0	2	0	11	346.26	0.000544	Neutral nitrogen compounds
621	25	30	0	2	0	12	358.26	0.000934	Neutral nitrogen compounds
622	26	30	0	2	0	13	370.26	0.000805	Neutral nitrogen compounds
623	27	30	0	2	0	14	382.26	0.000624	Neutral nitrogen compounds
624	28	30	0	2	0	15	394.26	0.000358	Neutral nitrogen compounds
625	29	30	0	2	0	16	406.26	0.000228	Neutral nitrogen compounds
626	23	31	0	1	1	9	353.318	0.000161	Neutral nitrogen compounds
627	24	31	0	1	1	10	365.318	0.000196	Neutral nitrogen compounds
628	25	31	0	1	1	11	377.318	0.000388	Neutral nitrogen compounds
629	26	31	0	1	1	12	389.318	0.000414	Neutral nitrogen compounds
630	27	31	0	1	1	13	401.318	0.000182	Neutral nitrogen compounds
631	29	31	0	1	1	15	425.318	0.000177	Neutral nitrogen compounds
632	22	31	1	1	0	8	325.258	0.00016	Neutral nitrogen compounds
633	23	31	1	1	0	9	337.258	0.000402	Neutral nitrogen compounds
634	24	31	1	1	0	10	349.258	0.000786	Neutral nitrogen compounds
635	25	31	1	1	0	11	361.258	0.001808	Neutral nitrogen compounds
636	26	31	1	1	0	12	373.258	0.002218	Neutral nitrogen compounds
637	27	31	1	1	0	13	385.258	0.002514	Neutral nitrogen compounds
638	28	31	1	1	0	14	397.258	0.002574	Neutral nitrogen compounds
639	29	31	1	1	0	15	409.258	0.000278	Neutral nitrogen compounds
640	30	31	1	1	0	16	421.258	0.000504	Neutral nitrogen compounds
641	31	31	1	1	0	17	433.258	0.000269	Neutral nitrogen compounds
642	32	31	1	1	0	18	445.258	0.000274	Neutral nitrogen compounds
643	22	31	2	1	0	8	341.258	0.000126	Neutral nitrogen compounds
644	23	31	2	1	0	9	353.258	0.000443	Neutral nitrogen compounds
645	24	31	2	1	0	10	365.258	0.001192	Neutral nitrogen compounds
646	25	31	2	1	0	11	377.258	0.001839	Neutral nitrogen compounds
647	26	31	2	1	0	12	389.258	0.001557	Neutral nitrogen compounds
648	27	31	2	1	0	13	401.258	0.00077	Neutral nitrogen compounds
649	28	31	2	1	0	14	413.258	0.000383	Neutral nitrogen compounds
650	21	31	0	1	0	7	297.258	0.000315	Neutral nitrogen compounds
651	22	31	0	1	0	8	309.258	0.000657	Neutral nitrogen compounds
652	23	31	0	1	0	9	321.258	0.008149	Neutral nitrogen compounds
653	24	31	0	1	0	10	333.258	0.027833	Neutral nitrogen compounds
654	25	31	0	1	0	11	345.258	0.035818	Neutral nitrogen compounds
655	26	31	0	1	0	12	357.258	0.054857	Neutral nitrogen compounds
656	27	31	0	1	0	13	369.258	0.030954	Neutral nitrogen compounds
657	28	31	0	1	0	14	381.258	0.02239	Neutral nitrogen compounds
658	29	31	0	1	0	15	393.258	0.008187	Neutral nitrogen compounds
659	30	31	0	1	0	16	405.258	0.003772	Neutral nitrogen compounds
660	31	31	0	1	0	17	417.258	0.001985	Neutral nitrogen compounds
661	32	31	0	1	0	18	429.258	0.001016	Neutral nitrogen compounds
662	33	31	0	1	0	19	441.258	0.000354	Neutral nitrogen compounds
663	25	32	1	2	0	11	376.276	0.000182	Neutral nitrogen compounds
664	23	32	0	2	0	9	336.276	0.000179	Neutral nitrogen compounds
665	24	32	0	2	0	10	348.276	0.000441	Neutral nitrogen compounds
666	25	32	0	2	0	11	360.276	0.000505	Neutral nitrogen compounds
667	26	32	0	2	0	12	372.276	0.000882	Neutral nitrogen compounds
668	27	32	0	2	0	13	384.276	0.000588	Neutral nitrogen compounds
669	28	32	0	2	0	14	396.276	0.000487	Neutral nitrogen compounds
670	29	32	0	2	0	15	408.276	0.000326	Neutral nitrogen compounds
671	30	32	0	2	0	16	420.276	0.000229	Neutral nitrogen compounds
672	24	33	0	1	1	9	367.334	0.00021	Neutral nitrogen compounds
673	25	33	0	1	1	10	379.334	0.000208	Neutral nitrogen compounds
674	26	33	0	1	1	11	391.334	0.00024	Neutral nitrogen compounds
675	27	33	0	1	1	12	403.334	0.000282	Neutral nitrogen compounds
676	28	33	0	1	1	13	415.334	0.000195	Neutral nitrogen compounds
677	22	33	1	1	0	7	327.274	0.000156	Neutral nitrogen compounds
678	23	33	1	1	0	8	339.274	0.000154	Neutral nitrogen compounds
679	24	33	1	1	0	9	351.274	0.000588	Neutral nitrogen compounds
680	25	33	1	1	0	10	363.274	0.001024	Neutral nitrogen compounds
681	26	33	1	1	0	11	375.274	0.001649	Neutral nitrogen compounds
682	27	33	1	1	0	12	387.274	0.002208	Neutral nitrogen compounds
683	28	33	1	1	0	13	399.274	0.002331	Neutral nitrogen compounds
684	29	33	1	1	0	14	411.274	0.002073	Neutral nitrogen compounds
685	30	33	1	1	0	15	423.274	0.000948	Neutral nitrogen compounds
686	31	33	1	1	0	16	435.274	0.000574	Neutral nitrogen compounds
687	32	33	1	1	0	17	447.274	0.000204	Neutral nitrogen compounds
688	33	33	1	1	0	18	459.274	0.000192	Neutral nitrogen compounds
689	23	33	2	1	0	8	355.274	0.000296	Neutral nitrogen compounds
690	24	33	2	1	0	9	367.274	0.00044	Neutral nitrogen compounds
691	25	33	2	1	0	10	379.274	0.00128	Neutral nitrogen compounds
692	26	33	2	1	0	11	391.274	0.001867	Neutral nitrogen compounds
693	27	33	2	1	0	12	403.274	0.001167	Neutral nitrogen compounds
694	28	33	2	1	0	13	415.274	0.000656	Neutral nitrogen compounds
695	29	33	2	1	0	14	427.274	0.00038	Neutral nitrogen compounds
696	21	33	0	1	0	6	299.274	0.000112	Neutral nitrogen compounds
697	22	33	0	1	0	7	311.274	0.000298	Neutral nitrogen compounds
698	23	33	0	1	0	8	323.274	0.001159	Neutral nitrogen compounds
699	24	33	0	1	0	9	335.274	0.015627	Neutral nitrogen compounds
700	25	33	0	1	0	10	347.274	0.042402	Neutral nitrogen compounds
701	26	33	0	1	0	11	359.274	0.037683	Neutral nitrogen compounds
702	27	33	0	1	0	12	371.274	0.049727	Neutral nitrogen compounds
703	28	33	0	1	0	13	383.274	0.028371	Neutral nitrogen compounds
704	29	33	0	1	0	14	395.274	0.015099	Neutral nitrogen compounds
705	30	33	0	1	0	15	407.274	0.006794	Neutral nitrogen compounds
706	31	33	0	1	0	16	419.274	0.002897	Neutral nitrogen compounds
707	32	33	0	1	0	17	431.274	0.001874	Neutral nitrogen compounds
708	33	33	0	1	0	18	443.274	0.000724	Neutral nitrogen compounds
709	34	33	0	1	0	19	455.274	0.000302	Neutral nitrogen compounds
710	24	34	0	2	0	9	350.292	0.000186	Neutral nitrogen compounds
711	25	34	0	2	0	10	362.292	0.000623	Neutral nitrogen compounds
712	26	34	0	2	0	11	374.292	0.000706	Neutral nitrogen compounds
713	27	34	0	2	0	12	386.292	0.000641	Neutral nitrogen compounds
714	28	34	0	2	0	13	398.292	0.000564	Neutral nitrogen compounds
715	29	34	0	2	0	14	410.292	0.00021	Neutral nitrogen compounds
716	30	34	0	2	0	15	422.292	0.000324	Neutral nitrogen compounds
717	31	34	0	2	0	16	434.292	0.000251	Neutral nitrogen compounds
718	25	35	0	1	1	9	381.35	0.000199	Neutral nitrogen compounds
719	26	35	0	1	1	10	393.35	0.000221	Neutral nitrogen compounds
720	27	35	0	1	1	11	405.35	0.000247	Neutral nitrogen compounds
721	28	35	0	1	1	12	417.35	0.000258	Neutral nitrogen compounds
722	23	35	1	1	0	7	341.29	0.000133	Neutral nitrogen compounds
723	24	35	1	1	0	8	353.29	0.000295	Neutral nitrogen compounds
724	25	35	1	1	0	9	365.29	0.000656	Neutral nitrogen compounds
725	26	35	1	1	0	10	377.29	0.000845	Neutral nitrogen compounds
726	27	35	1	1	0	11	389.29	0.001925	Neutral nitrogen compounds
727	28	35	1	1	0	12	401.29	0.001967	Neutral nitrogen compounds
728	29	35	1	1	0	13	413.29	0.002328	Neutral nitrogen compounds
729	30	35	1	1	0	14	425.29	0.001832	Neutral nitrogen compounds
730	31	35	1	1	0	15	437.29	0.000989	Neutral nitrogen compounds
731	32	35	1	1	0	16	449.29	0.000564	Neutral nitrogen compounds
732	33	35	1	1	0	17	461.29	0.000371	Neutral nitrogen compounds
733	24	35	2	1	0	8	369.29	0.000269	Neutral nitrogen compounds
734	25	35	2	1	0	9	381.29	0.000623	Neutral nitrogen compounds
735	26	35	2	1	0	10	393.29	0.001266	Neutral nitrogen compounds
736	27	35	2	1	0	11	405.29	0.001533	Neutral nitrogen compounds
737	28	35	2	1	0	12	417.29	0.001045	Neutral nitrogen compounds
738	29	35	2	1	0	13	429.29	0.000539	Neutral nitrogen compounds
739	30	35	2	1	0	14	441.29	0.00036	Neutral nitrogen compounds
740	22	35	0	1	0	6	313.29	0.000146	Neutral nitrogen compounds
741	23	35	0	1	0	7	325.29	0.000491	Neutral nitrogen compounds
742	24	35	0	1	0	8	337.29	0.001484	Neutral nitrogen compounds
743	25	35	0	1	0	9	349.29	0.018624	Neutral nitrogen compounds
744	26	35	0	1	0	10	361.29	0.046103	Neutral nitrogen compounds
745	27	35	0	1	0	11	373.29	0.043935	Neutral nitrogen compounds
746	28	35	0	1	0	12	385.29	0.03105	Neutral nitrogen compounds
747	29	35	0	1	0	13	397.29	0.019101	Neutral nitrogen compounds
748	30	35	0	1	0	14	409.29	0.002633	Neutral nitrogen compounds
749	31	35	0	1	0	15	421.29	0.005557	Neutral nitrogen compounds
750	32	35	0	1	0	16	433.29	0.002648	Neutral nitrogen compounds
751	33	35	0	1	0	17	445.29	0.001481	Neutral nitrogen compounds
752	34	35	0	1	0	18	457.29	0.000703	Neutral nitrogen compounds
753	35	35	0	1	0	19	469.29	0.000199	Neutral nitrogen compounds
754	25	36	0	2	0	9	364.308	0.000302	Neutral nitrogen compounds
755	26	36	0	2	0	10	376.308	0.000554	Neutral nitrogen compounds
756	27	36	0	2	0	11	388.308	0.000628	Neutral nitrogen compounds
757	28	36	0	2	0	12	400.308	0.000657	Neutral nitrogen compounds
758	29	36	0	2	0	13	412.308	0.000422	Neutral nitrogen compounds
759	30	36	0	2	0	14	424.308	0.000442	Neutral nitrogen compounds
760	31	36	0	2	0	15	436.308	0.000282	Neutral nitrogen compounds
761	26	37	0	1	1	9	395.366	0.000184	Neutral nitrogen compounds
762	27	37	0	1	1	10	407.366	0.000224	Neutral nitrogen compounds
763	28	37	0	1	1	11	419.366	0.000211	Neutral nitrogen compounds
764	29	37	0	1	1	12	431.366	0.000285	Neutral nitrogen compounds
765	24	37	1	1	0	7	355.306	0.000132	Neutral nitrogen compounds
766	25	37	1	1	0	8	367.306	0.000213	Neutral nitrogen compounds
767	26	37	1	1	0	9	379.306	0.000773	Neutral nitrogen compounds
768	27	37	1	1	0	10	391.306	0.001168	Neutral nitrogen compounds
769	28	37	1	1	0	11	403.306	0.001641	Neutral nitrogen compounds
770	29	37	1	1	0	12	415.306	0.002281	Neutral nitrogen compounds
771	30	37	1	1	0	13	427.306	0.002079	Neutral nitrogen compounds
772	31	37	1	1	0	14	439.306	0.001517	Neutral nitrogen compounds
773	32	37	1	1	0	15	451.306	0.000825	Neutral nitrogen compounds
774	33	37	1	1	0	16	463.306	0.000518	Neutral nitrogen compounds
775	24	37	2	1	0	7	371.306	0.000166	Neutral nitrogen compounds
776	25	37	2	1	0	8	383.306	0.000339	Neutral nitrogen compounds
777	26	37	2	1	0	9	395.306	0.000837	Neutral nitrogen compounds
778	27	37	2	1	0	10	407.306	0.001203	Neutral nitrogen compounds
779	28	37	2	1	0	11	419.306	0.00137	Neutral nitrogen compounds
780	29	37	2	1	0	12	431.306	0.001011	Neutral nitrogen compounds
781	30	37	2	1	0	13	443.306	0.000387	Neutral nitrogen compounds
782	31	37	2	1	0	14	455.306	0.00024	Neutral nitrogen compounds
783	23	37	0	1	0	6	327.306	0.000153	Neutral nitrogen compounds
784	24	37	0	1	0	7	339.306	0.000856	Neutral nitrogen compounds
785	25	37	0	1	0	8	351.306	0.002234	Neutral nitrogen compounds
786	26	37	0	1	0	9	363.306	0.021269	Neutral nitrogen compounds
787	27	37	0	1	0	10	375.306	0.038644	Neutral nitrogen compounds
788	28	37	0	1	0	11	387.306	0.029108	Neutral nitrogen compounds
789	29	37	0	1	0	12	399.306	0.02558	Neutral nitrogen compounds
790	30	37	0	1	0	13	411.306	0.018073	Neutral nitrogen compounds
791	31	37	0	1	0	14	423.306	0.010239	Neutral nitrogen compounds
792	32	37	0	1	0	15	435.306	0.005352	Neutral nitrogen compounds
793	33	37	0	1	0	16	447.306	0.002253	Neutral nitrogen compounds
794	34	37	0	1	0	17	459.306	0.001055	Neutral nitrogen compounds
795	35	37	0	1	0	18	471.306	0.000314	Neutral nitrogen compounds
796	26	38	0	2	0	9	378.324	0.000329	Neutral nitrogen compounds
797	27	38	0	2	0	10	390.324	0.000624	Neutral nitrogen compounds
798	28	38	0	2	0	11	402.324	0.000566	Neutral nitrogen compounds
799	29	38	0	2	0	12	414.324	0.00065	Neutral nitrogen compounds
800	30	38	0	2	0	13	426.324	0.000394	Neutral nitrogen compounds
801	32	38	0	2	0	15	450.324	0.000433	Neutral nitrogen compounds
802	30	39	0	1	1	12	445.382	0.00019	Neutral nitrogen compounds
803	25	39	1	1	0	7	369.322	0.000154	Neutral nitrogen compounds
804	26	39	1	1	0	8	381.322	0.000246	Neutral nitrogen compounds
805	27	39	1	1	0	9	393.322	0.000683	Neutral nitrogen compounds
806	28	39	1	1	0	10	405.322	0.001032	Neutral nitrogen compounds
807	29	39	1	1	0	11	417.322	0.002127	Neutral nitrogen compounds
808	30	39	1	1	0	12	429.322	0.002209	Neutral nitrogen compounds
809	31	39	1	1	0	13	441.322	0.002082	Neutral nitrogen compounds
810	32	39	1	1	0	14	453.322	0.001523	Neutral nitrogen compounds
811	33	39	1	1	0	15	465.322	0.000646	Neutral nitrogen compounds
812	34	39	1	1	0	16	477.322	0.000217	Neutral nitrogen compounds
813	25	39	2	1	0	7	385.322	0.000243	Neutral nitrogen compounds
814	26	39	2	1	0	8	397.322	0.000453	Neutral nitrogen compounds
815	27	39	2	1	0	9	409.322	0.000323	Neutral nitrogen compounds
816	28	39	2	1	0	10	421.322	0.001124	Neutral nitrogen compounds
817	29	39	2	1	0	11	433.322	0.001329	Neutral nitrogen compounds
818	30	39	2	1	0	12	445.322	0.000991	Neutral nitrogen compounds
819	31	39	2	1	0	13	457.322	0.000395	Neutral nitrogen compounds
820	24	39	0	1	0	6	341.322	0.000177	Neutral nitrogen compounds
821	25	39	0	1	0	7	353.322	0.001099	Neutral nitrogen compounds
822	26	39	0	1	0	8	365.322	0.003169	Neutral nitrogen compounds
823	27	39	0	1	0	9	377.322	0.023763	Neutral nitrogen compounds
824	28	39	0	1	0	10	389.322	0.042238	Neutral nitrogen compounds
825	29	39	0	1	0	11	401.322	0.027014	Neutral nitrogen compounds
826	30	39	0	1	0	12	413.322	0.025831	Neutral nitrogen compounds
827	31	39	0	1	0	13	425.322	0.013935	Neutral nitrogen compounds
828	32	39	0	1	0	14	437.322	0.009403	Neutral nitrogen compounds
829	33	39	0	1	0	15	449.322	0.004091	Neutral nitrogen compounds
830	34	39	0	1	0	16	461.322	0.001699	Neutral nitrogen compounds
831	35	39	0	1	0	17	473.322	0.000652	Neutral nitrogen compounds
832	36	39	0	1	0	18	485.322	0.000307	Neutral nitrogen compounds
833	27	40	0	2	0	9	392.34	0.000508	Neutral nitrogen compounds
834	28	40	0	2	0	10	404.34	0.000478	Neutral nitrogen compounds
835	29	40	0	2	0	11	416.34	0.000566	Neutral nitrogen compounds
836	30	40	0	2	0	12	428.34	0.000437	Neutral nitrogen compounds
837	31	40	0	2	0	13	440.34	0.00031	Neutral nitrogen compounds
838	29	41	0	1	1	10	435.398	0.000177	Neutral nitrogen compounds
839	31	41	0	1	1	12	459.398	0.000228	Neutral nitrogen compounds
840	26	41	1	1	0	7	383.338	0.000248	Neutral nitrogen compounds
841	27	41	1	1	0	8	395.338	0.000368	Neutral nitrogen compounds
842	28	41	1	1	0	9	407.338	0.000879	Neutral nitrogen compounds
843	29	41	1	1	0	10	419.338	0.001071	Neutral nitrogen compounds
844	30	41	1	1	0	11	431.338	0.001659	Neutral nitrogen compounds
845	31	41	1	1	0	12	443.338	0.001662	Neutral nitrogen compounds
846	32	41	1	1	0	13	455.338	0.001741	Neutral nitrogen compounds
847	33	41	1	1	0	14	467.338	0.001105	Neutral nitrogen compounds
848	34	41	1	1	0	15	479.338	0.000279	Neutral nitrogen compounds
849	35	41	1	1	0	16	491.338	0.000226	Neutral nitrogen compounds
850	26	41	2	1	0	7	399.338	0.000232	Neutral nitrogen compounds
851	27	41	2	1	0	8	411.338	0.000489	Neutral nitrogen compounds
852	28	41	2	1	0	9	423.338	0.000755	Neutral nitrogen compounds
853	29	41	2	1	0	10	435.338	0.001133	Neutral nitrogen compounds
854	30	41	2	1	0	11	447.338	0.001001	Neutral nitrogen compounds
855	31	41	2	1	0	12	459.338	0.000664	Neutral nitrogen compounds
856	32	41	2	1	0	13	471.338	0.000286	Neutral nitrogen compounds
857	25	41	0	1	0	6	355.338	0.000404	Neutral nitrogen compounds
858	26	41	0	1	0	7	367.338	0.001363	Neutral nitrogen compounds
859	27	41	0	1	0	8	379.338	0.003549	Neutral nitrogen compounds
860	28	41	0	1	0	9	391.338	0.033223	Neutral nitrogen compounds
861	29	41	0	1	0	10	403.338	0.03759	Neutral nitrogen compounds
862	30	41	0	1	0	11	415.338	0.026608	Neutral nitrogen compounds
863	31	41	0	1	0	12	427.338	0.0192	Neutral nitrogen compounds
864	32	41	0	1	0	13	439.338	0.011961	Neutral nitrogen compounds
865	33	41	0	1	0	14	451.338	0.007247	Neutral nitrogen compounds
866	34	41	0	1	0	15	463.338	0.0029	Neutral nitrogen compounds
867	35	41	0	1	0	16	475.338	0.001017	Neutral nitrogen compounds
868	36	41	0	1	0	17	487.338	0.000465	Neutral nitrogen compounds
869	28	42	0	2	0	9	406.356	0.000509	Neutral nitrogen compounds
870	29	42	0	2	0	10	418.356	0.000532	Neutral nitrogen compounds
871	30	42	0	2	0	11	430.356	0.000415	Neutral nitrogen compounds
872	31	42	0	2	0	12	442.356	0.000559	Neutral nitrogen compounds
873	32	42	0	2	0	13	454.356	0.000341	Neutral nitrogen compounds
874	30	43	0	1	1	10	449.414	0.00018	Neutral nitrogen compounds
875	27	43	1	1	0	7	397.354	0.000203	Neutral nitrogen compounds
876	28	43	1	1	0	8	409.354	0.000196	Neutral nitrogen compounds
877	29	43	1	1	0	9	421.354	0.000829	Neutral nitrogen compounds
878	30	43	1	1	0	10	433.354	0.001374	Neutral nitrogen compounds
879	31	43	1	1	0	11	445.354	0.001466	Neutral nitrogen compounds
880	32	43	1	1	0	12	457.354	0.001649	Neutral nitrogen compounds
881	33	43	1	1	0	13	469.354	0.001064	Neutral nitrogen compounds
882	34	43	1	1	0	14	481.354	0.0004	Neutral nitrogen compounds
883	35	43	1	1	0	15	493.354	0.000379	Neutral nitrogen compounds
884	36	43	1	1	0	16	505.354	0.000292	Neutral nitrogen compounds
885	27	43	2	1	0	7	413.354	0.000188	Neutral nitrogen compounds
886	28	43	2	1	0	8	425.354	0.000655	Neutral nitrogen compounds
887	29	43	2	1	0	9	437.354	0.000848	Neutral nitrogen compounds
888	30	43	2	1	0	10	449.354	0.000909	Neutral nitrogen compounds
889	31	43	2	1	0	11	461.354	0.000746	Neutral nitrogen compounds
890	32	43	2	1	0	12	473.354	0.000237	Neutral nitrogen compounds
891	33	43	2	1	0	13	485.354	0.000243	Neutral nitrogen compounds
892	26	43	0	1	0	6	369.354	0.000375	Neutral nitrogen compounds
893	27	43	0	1	0	7	381.354	0.002211	Neutral nitrogen compounds
894	28	43	0	1	0	8	393.354	0.004121	Neutral nitrogen compounds
895	29	43	0	1	0	9	405.354	0.03351	Neutral nitrogen compounds
896	30	43	0	1	0	10	417.354	0.034238	Neutral nitrogen compounds
897	31	43	0	1	0	11	429.354	0.023498	Neutral nitrogen compounds
898	32	43	0	1	0	12	441.354	0.015692	Neutral nitrogen compounds
899	33	43	0	1	0	13	453.354	0.010411	Neutral nitrogen compounds
900	34	43	0	1	0	14	465.354	0.004595	Neutral nitrogen compounds
901	35	43	0	1	0	15	477.354	0.001605	Neutral nitrogen compounds
902	36	43	0	1	0	16	489.354	0.000502	Neutral nitrogen compounds
903	37	43	0	1	0	17	501.354	0.000473	Neutral nitrogen compounds
904	28	44	0	2	0	8	408.372	0.000182	Neutral nitrogen compounds
905	29	44	0	2	0	9	420.372	0.000533	Neutral nitrogen compounds
906	30	44	0	2	0	10	432.372	0.000505	Neutral nitrogen compounds
907	31	44	0	2	0	11	444.372	0.000646	Neutral nitrogen compounds
908	32	44	0	2	0	12	456.372	0.000424	Neutral nitrogen compounds
909	33	44	0	2	0	13	468.372	0.000349	Neutral nitrogen compounds
910	28	45	1	1	0	7	411.37	0.000275	Neutral nitrogen compounds
911	29	45	1	1	0	8	423.37	0.000331	Neutral nitrogen compounds
912	30	45	1	1	0	9	435.37	0.00092	Neutral nitrogen compounds
913	31	45	1	1	0	10	447.37	0.000979	Neutral nitrogen compounds
914	32	45	1	1	0	11	459.37	0.001368	Neutral nitrogen compounds
915	33	45	1	1	0	12	471.37	0.000871	Neutral nitrogen compounds
916	34	45	1	1	0	13	483.37	0.000765	Neutral nitrogen compounds
917	35	45	1	1	0	14	495.37	0.000309	Neutral nitrogen compounds
918	36	45	1	1	0	15	507.37	0.000222	Neutral nitrogen compounds
919	37	45	1	1	0	16	519.37	0.000216	Neutral nitrogen compounds
920	29	45	2	1	0	8	439.37	0.000625	Neutral nitrogen compounds
921	30	45	2	1	0	9	451.37	0.00093	Neutral nitrogen compounds
922	31	45	2	1	0	10	463.37	0.000643	Neutral nitrogen compounds
923	32	45	2	1	0	11	475.37	0.000451	Neutral nitrogen compounds
924	33	45	2	1	0	12	487.37	0.000234	Neutral nitrogen compounds
925	34	45	2	1	0	13	499.37	0.00026	Neutral nitrogen compounds
926	27	45	0	1	0	6	383.37	0.000587	Neutral nitrogen compounds
927	28	45	0	1	0	7	395.37	0.002637	Neutral nitrogen compounds
928	29	45	0	1	0	8	407.37	0.005509	Neutral nitrogen compounds
929	30	45	0	1	0	9	419.37	0.030549	Neutral nitrogen compounds
930	31	45	0	1	0	10	431.37	0.032889	Neutral nitrogen compounds
931	32	45	0	1	0	11	443.37	0.018937	Neutral nitrogen compounds
932	33	45	0	1	0	12	455.37	0.014202	Neutral nitrogen compounds
933	34	45	0	1	0	13	467.37	0.006279	Neutral nitrogen compounds
934	35	45	0	1	0	14	479.37	0.002019	Neutral nitrogen compounds
935	36	45	0	1	0	15	491.37	0.000846	Neutral nitrogen compounds
936	37	45	0	1	0	16	503.37	0.000515	Neutral nitrogen compounds
937	38	45	0	1	0	17	515.37	0.000419	Neutral nitrogen compounds
938	29	46	0	2	0	8	422.388	0.000255	Neutral nitrogen compounds
939	30	46	0	2	0	9	434.388	0.000486	Neutral nitrogen compounds
940	31	46	0	2	0	10	446.388	0.00064	Neutral nitrogen compounds
941	32	46	0	2	0	11	458.388	0.000326	Neutral nitrogen compounds
942	33	46	0	2	0	12	470.388	0.000328	Neutral nitrogen compounds
943	34	46	0	2	0	13	482.388	0.000194	Neutral nitrogen compounds
944	29	47	1	1	0	7	425.386	0.000335	Neutral nitrogen compounds
945	30	47	1	1	0	8	437.386	0.000561	Neutral nitrogen compounds
946	31	47	1	1	0	9	449.386	0.000894	Neutral nitrogen compounds
947	32	47	1	1	0	10	461.386	0.000992	Neutral nitrogen compounds
948	33	47	1	1	0	11	473.386	0.000959	Neutral nitrogen compounds
949	34	47	1	1	0	12	485.386	0.000732	Neutral nitrogen compounds
950	35	47	1	1	0	13	497.386	0.00063	Neutral nitrogen compounds
951	36	47	1	1	0	14	509.386	0.000313	Neutral nitrogen compounds
952	30	47	2	1	0	8	453.386	0.00067	Neutral nitrogen compounds
953	31	47	2	1	0	9	465.386	0.000503	Neutral nitrogen compounds
954	32	47	2	1	0	10	477.386	0.000573	Neutral nitrogen compounds
955	33	47	2	1	0	11	489.386	0.00023	Neutral nitrogen compounds
956	34	47	2	1	0	12	501.386	0.000198	Neutral nitrogen compounds
957	28	47	0	1	0	6	397.386	0.000748	Neutral nitrogen compounds
958	29	47	0	1	0	7	409.386	0.000763	Neutral nitrogen compounds
959	30	47	0	1	0	8	421.386	0.005499	Neutral nitrogen compounds
960	31	47	0	1	0	9	433.386	0.032232	Neutral nitrogen compounds
961	32	47	0	1	0	10	445.386	0.020027	Neutral nitrogen compounds
962	33	47	0	1	0	11	457.386	0.015267	Neutral nitrogen compounds
963	34	47	0	1	0	12	469.386	0.00741	Neutral nitrogen compounds
964	35	47	0	1	0	13	481.386	0.00259	Neutral nitrogen compounds
965	36	47	0	1	0	14	493.386	0.001744	Neutral nitrogen compounds
966	37	47	0	1	0	15	505.386	0.000921	Neutral nitrogen compounds
967	38	47	0	1	0	16	517.386	0.000318	Neutral nitrogen compounds
968	30	48	0	2	0	8	436.404	0.000268	Neutral nitrogen compounds
969	31	48	0	2	0	9	448.404	0.000447	Neutral nitrogen compounds
970	32	48	0	2	0	10	460.404	0.000551	Neutral nitrogen compounds
971	33	48	0	2	0	11	472.404	0.000301	Neutral nitrogen compounds
972	35	48	0	2	0	13	496.404	0.000236	Neutral nitrogen compounds
973	31	49	1	1	0	8	451.402	0.000646	Neutral nitrogen compounds
974	32	49	1	1	0	9	463.402	0.000668	Neutral nitrogen compounds
975	33	49	1	1	0	10	475.402	0.000534	Neutral nitrogen compounds
976	34	49	1	1	0	11	487.402	0.000461	Neutral nitrogen compounds
977	35	49	1	1	0	12	499.402	0.000678	Neutral nitrogen compounds
978	36	49	1	1	0	13	511.402	0.000418	Neutral nitrogen compounds
979	31	49	2	1	0	8	467.402	0.000614	Neutral nitrogen compounds
980	32	49	2	1	0	9	479.402	0.000415	Neutral nitrogen compounds
981	33	49	2	1	0	10	491.402	0.000372	Neutral nitrogen compounds
982	34	49	2	1	0	11	503.402	0.000199	Neutral nitrogen compounds
983	29	49	0	1	0	6	411.402	0.001045	Neutral nitrogen compounds
984	30	49	0	1	0	7	423.402	0.004088	Neutral nitrogen compounds
985	31	49	0	1	0	8	435.402	0.007137	Neutral nitrogen compounds
986	32	49	0	1	0	9	447.402	0.020624	Neutral nitrogen compounds
987	33	49	0	1	0	10	459.402	0.017892	Neutral nitrogen compounds
988	34	49	0	1	0	11	471.402	0.007407	Neutral nitrogen compounds
989	35	49	0	1	0	12	483.402	0.003779	Neutral nitrogen compounds
990	36	49	0	1	0	13	495.402	0.002271	Neutral nitrogen compounds
991	37	49	0	1	0	14	507.402	0.001327	Neutral nitrogen compounds
992	38	49	0	1	0	15	519.402	0.000539	Neutral nitrogen compounds
993	31	50	0	2	0	8	450.42	0.000237	Neutral nitrogen compounds
994	32	50	0	2	0	9	462.42	0.000342	Neutral nitrogen compounds
995	33	50	0	2	0	10	474.42	0.000335	Neutral nitrogen compounds
996	32	51	1	1	0	8	465.418	0.000454	Neutral nitrogen compounds
997	33	51	1	1	0	9	477.418	0.000374	Neutral nitrogen compounds
998	34	51	1	1	0	10	489.418	0.00042	Neutral nitrogen compounds
999	35	51	1	1	0	11	501.418	0.000457	Neutral nitrogen compounds
1000	36	51	1	1	0	12	513.418	0.000332	Neutral nitrogen compounds
1001	37	51	1	1	0	13	525.418	0.000263	Neutral nitrogen compounds
1002	32	51	2	1	0	8	481.418	0.00022	Neutral nitrogen compounds
1003	33	51	2	1	0	9	493.418	0.000289	Neutral nitrogen compounds
1004	35	51	2	1	0	11	517.418	0.000267	Neutral nitrogen compounds
1005	30	51	0	1	0	6	425.418	0.001456	Neutral nitrogen compounds
1006	31	51	0	1	0	7	437.418	0.005358	Neutral nitrogen compounds
1007	32	51	0	1	0	8	449.418	0.00647	Neutral nitrogen compounds
1008	33	51	0	1	0	9	461.418	0.015253	Neutral nitrogen compounds
1009	34	51	0	1	0	10	473.418	0.010418	Neutral nitrogen compounds
1010	35	51	0	1	0	11	485.418	0.005078	Neutral nitrogen compounds
1011	36	51	0	1	0	12	497.418	0.002769	Neutral nitrogen compounds
1012	37	51	0	1	0	13	509.418	0.001575	Neutral nitrogen compounds
1013	38	51	0	1	0	14	521.418	0.000894	Neutral nitrogen compounds
1014	39	51	0	1	0	15	533.418	0.000317	Neutral nitrogen compounds
1015	32	52	0	2	0	8	464.436	0.000305	Neutral nitrogen compounds
1016	33	52	0	2	0	9	476.436	0.000267	Neutral nitrogen compounds
1017	34	53	1	1	0	9	491.434	0.000395	Neutral nitrogen compounds
1018	35	53	1	1	0	10	503.434	0.00047	Neutral nitrogen compounds
1019	36	53	1	1	0	11	515.434	0.000355	Neutral nitrogen compounds
1020	37	53	1	1	0	12	527.434	0.000303	Neutral nitrogen compounds
1021	33	53	2	1	0	8	495.434	0.000225	Neutral nitrogen compounds
1022	34	53	2	1	0	9	507.434	0.000353	Neutral nitrogen compounds
1023	36	53	2	1	0	11	531.434	0.000276	Neutral nitrogen compounds
1024	31	53	0	1	0	6	439.434	0.002161	Neutral nitrogen compounds
1025	32	53	0	1	0	7	451.434	0.00532	Neutral nitrogen compounds
1026	33	53	0	1	0	8	463.434	0.005868	Neutral nitrogen compounds
1027	34	53	0	1	0	9	475.434	0.009954	Neutral nitrogen compounds
1028	35	53	0	1	0	10	487.434	0.005448	Neutral nitrogen compounds
1029	36	53	0	1	0	11	499.434	0.004234	Neutral nitrogen compounds
1030	37	53	0	1	0	12	511.434	0.002168	Neutral nitrogen compounds
1031	38	53	0	1	0	13	523.434	0.001056	Neutral nitrogen compounds
1032	39	53	0	1	0	14	535.434	0.000567	Neutral nitrogen compounds
1033	40	53	0	1	0	15	547.434	0.00025	Neutral nitrogen compounds
1034	33	54	0	2	0	8	478.452	0.000284	Neutral nitrogen compounds
1035	34	54	0	2	0	9	490.452	0.000266	Neutral nitrogen compounds
1036	35	55	1	1	0	9	505.45	0.000374	Neutral nitrogen compounds
1037	37	55	1	1	0	11	529.45	0.00033	Neutral nitrogen compounds
1038	38	55	1	1	0	12	541.45	0.000223	Neutral nitrogen compounds
1039	34	55	2	1	0	8	509.45	0.000203	Neutral nitrogen compounds
1040	35	55	2	1	0	9	521.45	0.000231	Neutral nitrogen compounds
1041	32	55	0	1	0	6	453.45	0.00206	Neutral nitrogen compounds
1042	33	55	0	1	0	7	465.45	0.00512	Neutral nitrogen compounds
1043	34	55	0	1	0	8	477.45	0.003638	Neutral nitrogen compounds
1044	35	55	0	1	0	9	489.45	0.00452	Neutral nitrogen compounds
1045	36	55	0	1	0	10	501.45	0.004966	Neutral nitrogen compounds
1046	37	55	0	1	0	11	513.45	0.003267	Neutral nitrogen compounds
1047	38	55	0	1	0	12	525.45	0.001462	Neutral nitrogen compounds
1048	39	55	0	1	0	13	537.45	0.000641	Neutral nitrogen compounds
1049	40	55	0	1	0	14	549.45	0.000291	Neutral nitrogen compounds
1050	36	57	1	1	0	9	519.466	0.000267	Neutral nitrogen compounds
1051	39	57	1	1	0	12	555.466	0.000263	Neutral nitrogen compounds
1052	33	57	0	1	0	6	467.466	0.001636	Neutral nitrogen compounds
1053	34	57	0	1	0	7	479.466	0.00254	Neutral nitrogen compounds
1054	35	57	0	1	0	8	491.466	0.002265	Neutral nitrogen compounds
1055	36	57	0	1	0	9	503.466	0.004483	Neutral nitrogen compounds
1056	37	57	0	1	0	10	515.466	0.00337	Neutral nitrogen compounds
1057	38	57	0	1	0	11	527.466	0.001663	Neutral nitrogen compounds
1058	39	57	0	1	0	12	539.466	0.000762	Neutral nitrogen compounds
1059	40	57	0	1	0	13	551.466	0.000234	Neutral nitrogen compounds
1060	41	57	0	1	0	14	563.466	0.00024	Neutral nitrogen compounds
1061	34	59	0	1	0	6	481.482	0.000942	Neutral nitrogen compounds
1062	35	59	0	1	0	7	493.482	0.002277	Neutral nitrogen compounds
1063	36	59	0	1	0	8	505.482	0.002487	Neutral nitrogen compounds
1064	37	59	0	1	0	9	517.482	0.003181	Neutral nitrogen compounds
1065	38	59	0	1	0	10	529.482	0.001738	Neutral nitrogen compounds
1066	39	59	0	1	0	11	541.482	0.001043	Neutral nitrogen compounds
1067	40	59	0	1	0	12	553.482	0.000408	Neutral nitrogen compounds
1068	35	61	0	1	0	6	495.498	0.000862	Neutral nitrogen compounds
1069	36	61	0	1	0	7	507.498	0.002128	Neutral nitrogen compounds
1070	37	61	0	1	0	8	519.498	0.001642	Neutral nitrogen compounds
1071	38	61	0	1	0	9	531.498	0.001796	Neutral nitrogen compounds
1072	39	61	0	1	0	10	543.498	0.001145	Neutral nitrogen compounds
1073	40	61	0	1	0	11	555.498	0.000688	Neutral nitrogen compounds
1074	36	63	0	1	0	6	509.514	0.000786	Neutral nitrogen compounds
1075	37	63	0	1	0	7	521.514	0.001292	Neutral nitrogen compounds
1076	38	63	0	1	0	8	533.514	0.000998	Neutral nitrogen compounds
1077	39	63	0	1	0	9	545.514	0.000974	Neutral nitrogen compounds
1078	40	63	0	1	0	10	557.514	0.000589	Neutral nitrogen compounds
1079	41	63	0	1	0	11	569.514	0.000453	Neutral nitrogen compounds
1080	37	65	0	1	0	6	523.53	0.000609	Neutral nitrogen compounds
1081	38	65	0	1	0	7	535.53	0.001029	Neutral nitrogen compounds
1082	39	65	0	1	0	8	547.53	0.000742	Neutral nitrogen compounds
1083	40	65	0	1	0	9	559.53	0.000617	Neutral nitrogen compounds
1084	41	65	0	1	0	10	571.53	0.000442	Neutral nitrogen compounds
1085	38	67	0	1	0	6	537.546	0.000357	Neutral nitrogen compounds
1086	39	67	0	1	0	7	549.546	0.000675	Neutral nitrogen compounds
1087	40	67	0	1	0	8	561.546	0.000385	Neutral nitrogen compounds
1088	41	67	0	1	0	9	573.546	0.000381	Neutral nitrogen compounds
1089	39	69	0	1	0	6	551.562	0.000333	Neutral nitrogen compounds
1090	40	69	0	1	0	7	563.562	0.000315	Neutral nitrogen compounds
1091	40	71	0	1	0	6	565.578	0.000237	Neutral nitrogen compounds
1092	28	12	0	0	1	23	380.156	7e-06	Sulfidic compounds
1093	13	14	0	0	1	7	202.172	3e-06	Sulfidic compounds
1094	14	14	0	0	1	8	214.172	3e-06	Sulfidic compounds
1095	15	14	0	0	1	9	226.172	5e-06	Sulfidic compounds
1096	16	14	0	0	1	10	238.172	5e-06	Sulfidic compounds
1097	17	14	0	0	1	11	250.172	2e-06	Sulfidic compounds
1098	18	14	0	0	1	12	262.172	8.6e-05	Sulfidic compounds
1099	19	14	0	0	1	13	274.172	3e-06	Sulfidic compounds
1100	20	14	0	0	1	14	286.172	5e-06	Sulfidic compounds
1101	21	14	0	0	1	15	298.172	7e-06	Sulfidic compounds
1102	42	14	0	0	1	36	550.172	8e-06	Sulfidic compounds
1103	52	14	0	0	1	46	670.172	9e-06	Sulfidic compounds
1104	16	16	0	0	1	9	240.188	3.6e-05	Sulfidic compounds
1105	17	16	0	0	1	10	252.188	4.7e-05	Sulfidic compounds
1106	18	16	0	0	1	11	264.188	1.3e-05	Sulfidic compounds
1107	19	16	0	0	1	12	276.188	0.000346	Sulfidic compounds
1108	20	16	0	0	1	13	288.188	4.4e-05	Sulfidic compounds
1109	21	16	0	0	1	14	300.188	1.8e-05	Sulfidic compounds
1110	22	16	0	0	1	15	312.188	3.3e-05	Sulfidic compounds
1111	17	18	0	0	1	9	254.204	5.8e-05	Sulfidic compounds
1112	18	18	0	0	1	10	266.204	0.000112	Sulfidic compounds
1113	19	18	0	0	1	11	278.204	5.9e-05	Sulfidic compounds
1114	20	18	0	0	1	12	290.204	0.000658	Sulfidic compounds
1115	21	18	0	0	1	13	302.204	0.000133	Sulfidic compounds
1116	22	18	0	0	1	14	314.204	6.9e-05	Sulfidic compounds
1117	23	18	0	0	1	15	326.204	5.2e-05	Sulfidic compounds
1118	25	18	0	0	1	17	350.204	4e-06	Sulfidic compounds
1119	15	20	0	0	1	6	232.22	4e-06	Sulfidic compounds
1120	16	20	0	0	1	7	244.22	8e-06	Sulfidic compounds
1121	17	20	0	0	1	8	256.22	8e-06	Sulfidic compounds
1122	18	20	0	0	1	9	268.22	7.4e-05	Sulfidic compounds
1123	19	20	0	0	1	10	280.22	0.000224	Sulfidic compounds
1124	20	20	0	0	1	11	292.22	0.000142	Sulfidic compounds
1125	21	20	0	0	1	12	304.22	0.00062	Sulfidic compounds
1126	22	20	0	0	1	13	316.22	0.000243	Sulfidic compounds
1127	23	20	0	0	1	14	328.22	0.000148	Sulfidic compounds
1128	24	20	0	0	1	15	340.22	5.5e-05	Sulfidic compounds
1129	15	22	0	0	1	5	234.236	4e-06	Sulfidic compounds
1130	16	22	0	0	1	6	246.236	4e-06	Sulfidic compounds
1131	17	22	0	0	1	7	258.236	3.6e-05	Sulfidic compounds
1132	18	22	0	0	1	8	270.236	4.2e-05	Sulfidic compounds
1133	19	22	0	0	1	9	282.236	0.000161	Sulfidic compounds
1134	20	22	0	0	1	10	294.236	0.000215	Sulfidic compounds
1135	21	22	0	0	1	11	306.236	0.000192	Sulfidic compounds
1136	22	22	0	0	1	12	318.236	0.000638	Sulfidic compounds
1137	23	22	0	0	1	13	330.236	0.000322	Sulfidic compounds
1138	24	22	0	0	1	14	342.236	0.000263	Sulfidic compounds
1139	25	22	0	0	1	15	354.236	8.3e-05	Sulfidic compounds
1140	26	22	0	0	1	16	366.236	6e-06	Sulfidic compounds
1141	32	22	0	0	1	22	438.236	0.000944	Sulfidic compounds
1142	33	22	0	0	1	23	450.236	8e-06	Sulfidic compounds
1143	41	22	0	0	1	31	546.236	0.000139	Sulfidic compounds
1144	15	24	0	0	1	4	236.252	1e-05	Sulfidic compounds
1145	16	24	0	0	1	5	248.252	2.2e-05	Sulfidic compounds
1146	17	24	0	0	1	6	260.252	6.8e-05	Sulfidic compounds
1147	18	24	0	0	1	7	272.252	0.00012	Sulfidic compounds
1148	19	24	0	0	1	8	284.252	0.000141	Sulfidic compounds
1149	20	24	0	0	1	9	296.252	0.000201	Sulfidic compounds
1150	21	24	0	0	1	10	308.252	0.00031	Sulfidic compounds
1151	22	24	0	0	1	11	320.252	0.000362	Sulfidic compounds
1152	23	24	0	0	1	12	332.252	0.000663	Sulfidic compounds
1153	24	24	0	0	1	13	344.252	0.000428	Sulfidic compounds
1154	25	24	0	0	1	14	356.252	0.000294	Sulfidic compounds
1155	26	24	0	0	1	15	368.252	0.000113	Sulfidic compounds
1156	27	24	0	0	1	16	380.252	7e-06	Sulfidic compounds
1157	29	24	0	0	1	18	404.252	6e-06	Sulfidic compounds
1158	34	24	0	0	1	23	464.252	7e-06	Sulfidic compounds
1159	14	26	0	0	1	2	226.268	4e-06	Sulfidic compounds
1160	15	26	0	0	1	3	238.268	1.4e-05	Sulfidic compounds
1161	16	26	0	0	1	4	250.268	6.1e-05	Sulfidic compounds
1162	17	26	0	0	1	5	262.268	6e-05	Sulfidic compounds
1163	18	26	0	0	1	6	274.268	0.000167	Sulfidic compounds
1164	19	26	0	0	1	7	286.268	0.000251	Sulfidic compounds
1165	20	26	0	0	1	8	298.268	0.000303	Sulfidic compounds
1166	21	26	0	0	1	9	310.268	0.000418	Sulfidic compounds
1167	22	26	0	0	1	10	322.268	0.000516	Sulfidic compounds
1168	23	26	0	0	1	11	334.268	0.000604	Sulfidic compounds
1169	24	26	0	0	1	12	346.268	0.000726	Sulfidic compounds
1170	25	26	0	0	1	13	358.268	0.000434	Sulfidic compounds
1171	26	26	0	0	1	14	370.268	0.000292	Sulfidic compounds
1172	27	26	0	0	1	15	382.268	0.000123	Sulfidic compounds
1173	28	26	0	0	1	16	394.268	2.1e-05	Sulfidic compounds
1174	42	26	0	0	1	30	562.268	8e-06	Sulfidic compounds
1175	15	28	0	0	1	2	240.284	5e-06	Sulfidic compounds
1176	16	28	0	0	1	3	252.284	5.5e-05	Sulfidic compounds
1177	17	28	0	0	1	4	264.284	0.000139	Sulfidic compounds
1178	18	28	0	0	1	5	276.284	0.000204	Sulfidic compounds
1179	19	28	0	0	1	6	288.284	0.000299	Sulfidic compounds
1180	20	28	0	0	1	7	300.284	0.000542	Sulfidic compounds
1181	21	28	0	0	1	8	312.284	0.000563	Sulfidic compounds
1182	22	28	0	0	1	9	324.284	0.000769	Sulfidic compounds
1183	23	28	0	0	1	10	336.284	0.000982	Sulfidic compounds
1184	24	28	0	0	1	11	348.284	0.001017	Sulfidic compounds
1185	25	28	0	0	1	12	360.284	0.00097	Sulfidic compounds
1186	26	28	0	0	1	13	372.284	0.000525	Sulfidic compounds
1187	27	28	0	0	1	14	384.284	0.000298	Sulfidic compounds
1188	28	28	0	0	1	15	396.284	0.000134	Sulfidic compounds
1189	29	28	0	0	1	16	408.284	2.9e-05	Sulfidic compounds
1190	31	28	0	0	1	18	432.284	3.5e-05	Sulfidic compounds
1191	50	28	0	0	1	37	660.284	9e-06	Sulfidic compounds
1192	15	30	0	0	1	1	242.3	1.5e-05	Sulfidic compounds
1193	16	30	0	0	1	2	254.3	3e-05	Sulfidic compounds
1194	17	30	0	0	1	3	266.3	0.000113	Sulfidic compounds
1195	18	30	0	0	1	4	278.3	0.000242	Sulfidic compounds
1196	19	30	0	0	1	5	290.3	0.000439	Sulfidic compounds
1197	20	30	0	0	1	6	302.3	0.000559	Sulfidic compounds
1198	21	30	0	0	1	7	314.3	0.000781	Sulfidic compounds
1199	22	30	0	0	1	8	326.3	0.001028	Sulfidic compounds
1200	23	30	0	0	1	9	338.3	0.001449	Sulfidic compounds
1201	24	30	0	0	1	10	350.3	0.001644	Sulfidic compounds
1202	25	30	0	0	1	11	362.3	0.001564	Sulfidic compounds
1203	26	30	0	0	1	12	374.3	0.001194	Sulfidic compounds
1204	27	30	0	0	1	13	386.3	0.000611	Sulfidic compounds
1205	28	30	0	0	1	14	398.3	0.000339	Sulfidic compounds
1206	29	30	0	0	1	15	410.3	0.000122	Sulfidic compounds
1207	30	30	0	0	1	16	422.3	2.2e-05	Sulfidic compounds
1208	16	32	0	0	1	1	256.316	4e-06	Sulfidic compounds
1209	17	32	0	0	1	2	268.316	5e-05	Sulfidic compounds
1210	18	32	0	0	1	3	280.316	0.000205	Sulfidic compounds
1211	19	32	0	0	1	4	292.316	0.00047	Sulfidic compounds
1212	20	32	0	0	1	5	304.316	0.000737	Sulfidic compounds
1213	21	32	0	0	1	6	316.316	0.000968	Sulfidic compounds
1214	22	32	0	0	1	7	328.316	0.001268	Sulfidic compounds
1215	23	32	0	0	1	8	340.316	0.001602	Sulfidic compounds
1216	24	32	0	0	1	9	352.316	0.002193	Sulfidic compounds
1217	25	32	0	0	1	10	364.316	0.002559	Sulfidic compounds
1218	26	32	0	0	1	11	376.316	0.002299	Sulfidic compounds
1219	27	32	0	0	1	12	388.316	0.001508	Sulfidic compounds
1220	28	32	0	0	1	13	400.316	0.000785	Sulfidic compounds
1221	29	32	0	0	1	14	412.316	0.000408	Sulfidic compounds
1222	30	32	0	0	1	15	424.316	0.000154	Sulfidic compounds
1223	31	32	0	0	1	16	436.316	5e-05	Sulfidic compounds
1224	32	32	0	0	1	17	448.316	1.3e-05	Sulfidic compounds
1225	17	34	0	0	1	1	270.332	1.7e-05	Sulfidic compounds
1226	18	34	0	0	1	2	282.332	4.1e-05	Sulfidic compounds
1227	19	34	0	0	1	3	294.332	0.000309	Sulfidic compounds
1228	20	34	0	0	1	4	306.332	0.000708	Sulfidic compounds
1229	21	34	0	0	1	5	318.332	0.00111	Sulfidic compounds
1230	22	34	0	0	1	6	330.332	0.001499	Sulfidic compounds
1231	23	34	0	0	1	7	342.332	0.001846	Sulfidic compounds
1232	24	34	0	0	1	8	354.332	0.002553	Sulfidic compounds
1233	25	34	0	0	1	9	366.332	0.003046	Sulfidic compounds
1234	26	34	0	0	1	10	378.332	0.003528	Sulfidic compounds
1235	27	34	0	0	1	11	390.332	0.002923	Sulfidic compounds
1236	28	34	0	0	1	12	402.332	0.001992	Sulfidic compounds
1237	29	34	0	0	1	13	414.332	0.00095	Sulfidic compounds
1238	30	34	0	0	1	14	426.332	0.000418	Sulfidic compounds
1239	31	34	0	0	1	15	438.332	0.000211	Sulfidic compounds
1240	32	34	0	0	1	16	450.332	4.4e-05	Sulfidic compounds
1241	33	34	0	0	1	17	462.332	1.1e-05	Sulfidic compounds
1242	17	36	0	0	1	0	272.348	4e-06	Sulfidic compounds
1243	19	36	0	0	1	2	296.348	6.2e-05	Sulfidic compounds
1244	20	36	0	0	1	3	308.348	0.000435	Sulfidic compounds
1245	21	36	0	0	1	4	320.348	0.001273	Sulfidic compounds
1246	22	36	0	0	1	5	332.348	0.001679	Sulfidic compounds
1247	23	36	0	0	1	6	344.348	0.002151	Sulfidic compounds
1248	24	36	0	0	1	7	356.348	0.002787	Sulfidic compounds
1249	25	36	0	0	1	8	368.348	0.003625	Sulfidic compounds
1250	26	36	0	0	1	9	380.348	0.004371	Sulfidic compounds
1251	27	36	0	0	1	10	392.348	0.004205	Sulfidic compounds
1252	28	36	0	0	1	11	404.348	0.003389	Sulfidic compounds
1253	29	36	0	0	1	12	416.348	0.0022	Sulfidic compounds
1254	30	36	0	0	1	13	428.348	0.001075	Sulfidic compounds
1255	31	36	0	0	1	14	440.348	0.000507	Sulfidic compounds
1256	32	36	0	0	1	15	452.348	0.000211	Sulfidic compounds
1257	33	36	0	0	1	16	464.348	4.6e-05	Sulfidic compounds
1258	34	36	0	0	1	17	476.348	7e-06	Sulfidic compounds
1259	19	38	0	0	1	1	298.364	1.5e-05	Sulfidic compounds
1260	20	38	0	0	1	2	310.364	0.000131	Sulfidic compounds
1261	21	38	0	0	1	3	322.364	0.000571	Sulfidic compounds
1262	22	38	0	0	1	4	334.364	0.001488	Sulfidic compounds
1263	23	38	0	0	1	5	346.364	0.002631	Sulfidic compounds
1264	24	38	0	0	1	6	358.364	0.003498	Sulfidic compounds
1265	25	38	0	0	1	7	370.364	0.004201	Sulfidic compounds
1266	26	38	0	0	1	8	382.364	0.005195	Sulfidic compounds
1267	27	38	0	0	1	9	394.364	0.005667	Sulfidic compounds
1268	28	38	0	0	1	10	406.364	0.004893	Sulfidic compounds
1269	29	38	0	0	1	11	418.364	0.003677	Sulfidic compounds
1270	30	38	0	0	1	12	430.364	0.002322	Sulfidic compounds
1271	31	38	0	0	1	13	442.364	0.001208	Sulfidic compounds
1272	32	38	0	0	1	14	454.364	0.000534	Sulfidic compounds
1273	33	38	0	0	1	15	466.364	0.000258	Sulfidic compounds
1274	34	38	0	0	1	16	478.364	4.1e-05	Sulfidic compounds
1275	20	40	0	0	1	1	312.38	1e-05	Sulfidic compounds
1276	21	40	0	0	1	2	324.38	0.000162	Sulfidic compounds
1277	22	40	0	0	1	3	336.38	0.000793	Sulfidic compounds
1278	23	40	0	0	1	4	348.38	0.002428	Sulfidic compounds
1279	24	40	0	0	1	5	360.38	0.004012	Sulfidic compounds
1280	25	40	0	0	1	6	372.38	0.005046	Sulfidic compounds
1281	26	40	0	0	1	7	384.38	0.006187	Sulfidic compounds
1282	27	40	0	0	1	8	396.38	0.006905	Sulfidic compounds
1283	28	40	0	0	1	9	408.38	0.006997	Sulfidic compounds
1284	29	40	0	0	1	10	420.38	0.00569	Sulfidic compounds
1285	30	40	0	0	1	11	432.38	0.003801	Sulfidic compounds
1286	31	40	0	0	1	12	444.38	0.002349	Sulfidic compounds
1287	32	40	0	0	1	13	456.38	0.001159	Sulfidic compounds
1288	33	40	0	0	1	14	468.38	0.000537	Sulfidic compounds
1289	34	40	0	0	1	15	480.38	0.000237	Sulfidic compounds
1290	35	40	0	0	1	16	492.38	4e-05	Sulfidic compounds
1291	37	40	0	0	1	18	516.38	7e-06	Sulfidic compounds
1292	21	42	0	0	1	1	326.396	2.4e-05	Sulfidic compounds
1293	22	42	0	0	1	2	338.396	0.000279	Sulfidic compounds
1294	23	42	0	0	1	3	350.396	0.001158	Sulfidic compounds
1295	24	42	0	0	1	4	362.396	0.003302	Sulfidic compounds
1296	25	42	0	0	1	5	374.396	0.00611	Sulfidic compounds
1297	26	42	0	0	1	6	386.396	0.007696	Sulfidic compounds
1298	27	42	0	0	1	7	398.396	0.009087	Sulfidic compounds
1299	28	42	0	0	1	8	410.396	0.008431	Sulfidic compounds
1300	29	42	0	0	1	9	422.396	0.008381	Sulfidic compounds
1301	30	42	0	0	1	10	434.396	0.006005	Sulfidic compounds
1302	31	42	0	0	1	11	446.396	0.00403	Sulfidic compounds
1303	32	42	0	0	1	12	458.396	0.002148	Sulfidic compounds
1304	33	42	0	0	1	13	470.396	0.001134	Sulfidic compounds
1305	34	42	0	0	1	14	482.396	0.000528	Sulfidic compounds
1306	35	42	0	0	1	15	494.396	0.00019	Sulfidic compounds
1307	36	42	0	0	1	16	506.396	9.7e-05	Sulfidic compounds
1308	37	42	0	0	1	17	518.396	1e-05	Sulfidic compounds
1309	38	42	0	0	1	18	530.396	1.1e-05	Sulfidic compounds
1310	39	42	0	0	1	19	542.396	7e-06	Sulfidic compounds
1311	22	44	0	0	1	1	340.412	2.4e-05	Sulfidic compounds
1312	23	44	0	0	1	2	352.412	0.000425	Sulfidic compounds
1313	24	44	0	0	1	3	364.412	0.001987	Sulfidic compounds
1314	25	44	0	0	1	4	376.412	0.00485	Sulfidic compounds
1315	26	44	0	0	1	5	388.412	0.009882	Sulfidic compounds
1316	27	44	0	0	1	6	400.412	0.011366	Sulfidic compounds
1317	28	44	0	0	1	7	412.412	0.010663	Sulfidic compounds
1318	29	44	0	0	1	8	424.412	0.010562	Sulfidic compounds
1319	30	44	0	0	1	9	436.412	0.0093	Sulfidic compounds
1320	31	44	0	0	1	10	448.412	0.006393	Sulfidic compounds
1321	32	44	0	0	1	11	460.412	0.003731	Sulfidic compounds
1322	33	44	0	0	1	12	472.412	0.002126	Sulfidic compounds
1323	34	44	0	0	1	13	484.412	0.001038	Sulfidic compounds
1324	35	44	0	0	1	14	496.412	0.000546	Sulfidic compounds
1325	36	44	0	0	1	15	508.412	0.000228	Sulfidic compounds
1326	37	44	0	0	1	16	520.412	3.4e-05	Sulfidic compounds
1327	51	44	0	0	1	30	688.412	9e-06	Sulfidic compounds
1328	58	44	0	0	1	37	772.412	1.2e-05	Sulfidic compounds
1329	23	46	0	0	1	1	354.428	5.8e-05	Sulfidic compounds
1330	24	46	0	0	1	2	366.428	0.000769	Sulfidic compounds
1331	25	46	0	0	1	3	378.428	0.003117	Sulfidic compounds
1332	26	46	0	0	1	4	390.428	0.0075	Sulfidic compounds
1333	27	46	0	0	1	5	402.428	0.014162	Sulfidic compounds
1334	28	46	0	0	1	6	414.428	0.014231	Sulfidic compounds
1335	29	46	0	0	1	7	426.428	0.014513	Sulfidic compounds
1336	30	46	0	0	1	8	438.428	0.012212	Sulfidic compounds
1337	31	46	0	0	1	9	450.428	0.009854	Sulfidic compounds
1338	32	46	0	0	1	10	462.428	0.00617	Sulfidic compounds
1339	33	46	0	0	1	11	474.428	0.003386	Sulfidic compounds
1340	34	46	0	0	1	12	486.428	0.001937	Sulfidic compounds
1341	35	46	0	0	1	13	498.428	0.001012	Sulfidic compounds
1342	36	46	0	0	1	14	510.428	0.000465	Sulfidic compounds
1343	37	46	0	0	1	15	522.428	0.000184	Sulfidic compounds
1344	38	46	0	0	1	16	534.428	5.6e-05	Sulfidic compounds
1345	39	46	0	0	1	17	546.428	1e-05	Sulfidic compounds
1346	40	46	0	0	1	18	558.428	8e-06	Sulfidic compounds
1347	24	48	0	0	1	1	368.444	8.1e-05	Sulfidic compounds
1348	25	48	0	0	1	2	380.444	0.001247	Sulfidic compounds
1349	26	48	0	0	1	3	392.444	0.004576	Sulfidic compounds
1350	27	48	0	0	1	4	404.444	0.011443	Sulfidic compounds
1351	28	48	0	0	1	5	416.444	0.018197	Sulfidic compounds
1352	29	48	0	0	1	6	428.444	0.022343	Sulfidic compounds
1353	30	48	0	0	1	7	440.444	0.016844	Sulfidic compounds
1354	31	48	0	0	1	8	452.444	0.012883	Sulfidic compounds
1355	32	48	0	0	1	9	464.444	0.009169	Sulfidic compounds
1356	33	48	0	0	1	10	476.444	0.005679	Sulfidic compounds
1357	34	48	0	0	1	11	488.444	0.003294	Sulfidic compounds
1358	35	48	0	0	1	12	500.444	0.001774	Sulfidic compounds
1359	36	48	0	0	1	13	512.444	0.000879	Sulfidic compounds
1360	37	48	0	0	1	14	524.444	0.000412	Sulfidic compounds
1361	38	48	0	0	1	15	536.444	0.000188	Sulfidic compounds
1362	39	48	0	0	1	16	548.444	5.1e-05	Sulfidic compounds
1363	40	48	0	0	1	17	560.444	8e-06	Sulfidic compounds
1364	25	50	0	0	1	1	382.46	0.00015	Sulfidic compounds
1365	26	50	0	0	1	2	394.46	0.001753	Sulfidic compounds
1366	27	50	0	0	1	3	406.46	0.006403	Sulfidic compounds
1367	28	50	0	0	1	4	418.46	0.015116	Sulfidic compounds
1368	29	50	0	0	1	5	430.46	0.024708	Sulfidic compounds
1369	30	50	0	0	1	6	442.46	0.023099	Sulfidic compounds
1370	31	50	0	0	1	7	454.46	0.017663	Sulfidic compounds
1371	32	50	0	0	1	8	466.46	0.012227	Sulfidic compounds
1372	33	50	0	0	1	9	478.46	0.008443	Sulfidic compounds
1373	34	50	0	0	1	10	490.46	0.005121	Sulfidic compounds
1374	35	50	0	0	1	11	502.46	0.002836	Sulfidic compounds
1375	36	50	0	0	1	12	514.46	0.001518	Sulfidic compounds
1376	37	50	0	0	1	13	526.46	0.000694	Sulfidic compounds
1377	38	50	0	0	1	14	538.46	0.000336	Sulfidic compounds
1378	39	50	0	0	1	15	550.46	0.000158	Sulfidic compounds
1379	40	50	0	0	1	16	562.46	3.7e-05	Sulfidic compounds
1380	41	50	0	0	1	17	574.46	1e-05	Sulfidic compounds
1381	26	52	0	0	1	1	396.476	0.000223	Sulfidic compounds
1382	27	52	0	0	1	2	408.476	0.002354	Sulfidic compounds
1383	28	52	0	0	1	3	420.476	0.008788	Sulfidic compounds
1384	29	52	0	0	1	4	432.476	0.020629	Sulfidic compounds
1385	30	52	0	0	1	5	444.476	0.033015	Sulfidic compounds
1386	31	52	0	0	1	6	456.476	0.023529	Sulfidic compounds
1387	32	52	0	0	1	7	468.476	0.015724	Sulfidic compounds
1388	33	52	0	0	1	8	480.476	0.011128	Sulfidic compounds
1389	34	52	0	0	1	9	492.476	0.007124	Sulfidic compounds
1390	35	52	0	0	1	10	504.476	0.004422	Sulfidic compounds
1391	36	52	0	0	1	11	516.476	0.002318	Sulfidic compounds
1392	37	52	0	0	1	12	528.476	0.001249	Sulfidic compounds
1393	38	52	0	0	1	13	540.476	0.000685	Sulfidic compounds
1394	39	52	0	0	1	14	552.476	0.000414	Sulfidic compounds
1395	40	52	0	0	1	15	564.476	0.000183	Sulfidic compounds
1396	41	52	0	0	1	16	576.476	1.7e-05	Sulfidic compounds
1397	54	52	0	0	1	29	732.476	9e-06	Sulfidic compounds
1398	27	54	0	0	1	1	410.492	0.000308	Sulfidic compounds
1399	28	54	0	0	1	2	422.492	0.003572	Sulfidic compounds
1400	29	54	0	0	1	3	434.492	0.012447	Sulfidic compounds
1401	30	54	0	0	1	4	446.492	0.025875	Sulfidic compounds
1402	31	54	0	0	1	5	458.492	0.02766	Sulfidic compounds
1403	32	54	0	0	1	6	470.492	0.019882	Sulfidic compounds
1404	33	54	0	0	1	7	482.492	0.014604	Sulfidic compounds
1405	34	54	0	0	1	8	494.492	0.009655	Sulfidic compounds
1406	35	54	0	0	1	9	506.492	0.006055	Sulfidic compounds
1407	36	54	0	0	1	10	518.492	0.003617	Sulfidic compounds
1408	37	54	0	0	1	11	530.492	0.001989	Sulfidic compounds
1409	38	54	0	0	1	12	542.492	0.001083	Sulfidic compounds
1410	39	54	0	0	1	13	554.492	0.000642	Sulfidic compounds
1411	40	54	0	0	1	14	566.492	0.000451	Sulfidic compounds
1412	41	54	0	0	1	15	578.492	9.5e-05	Sulfidic compounds
1413	42	54	0	0	1	16	590.492	8e-06	Sulfidic compounds
1414	28	56	0	0	1	1	424.508	0.000527	Sulfidic compounds
1415	29	56	0	0	1	2	436.508	0.005312	Sulfidic compounds
1416	30	56	0	0	1	3	448.508	0.018232	Sulfidic compounds
1417	31	56	0	0	1	4	460.508	0.025257	Sulfidic compounds
1418	32	56	0	0	1	5	472.508	0.02298	Sulfidic compounds
1419	33	56	0	0	1	6	484.508	0.018159	Sulfidic compounds
1420	34	56	0	0	1	7	496.508	0.01206	Sulfidic compounds
1421	35	56	0	0	1	8	508.508	0.007905	Sulfidic compounds
1422	36	56	0	0	1	9	520.508	0.004894	Sulfidic compounds
1423	37	56	0	0	1	10	532.508	0.002847	Sulfidic compounds
1424	38	56	0	0	1	11	544.508	0.001619	Sulfidic compounds
1425	39	56	0	0	1	12	556.508	0.000978	Sulfidic compounds
1426	40	56	0	0	1	13	568.508	0.000836	Sulfidic compounds
1427	41	56	0	0	1	14	580.508	0.000283	Sulfidic compounds
1428	42	56	0	0	1	15	592.508	4.6e-05	Sulfidic compounds
1429	43	56	0	0	1	16	604.508	2e-05	Sulfidic compounds
1430	45	56	0	0	1	18	628.508	2.9e-05	Sulfidic compounds
1431	51	56	0	0	1	24	700.508	1e-05	Sulfidic compounds
1432	29	58	0	0	1	1	438.524	0.000788	Sulfidic compounds
1433	30	58	0	0	1	2	450.524	0.00811	Sulfidic compounds
1434	31	58	0	0	1	3	462.524	0.018776	Sulfidic compounds
1435	32	58	0	0	1	4	474.524	0.021061	Sulfidic compounds
1436	33	58	0	0	1	5	486.524	0.023726	Sulfidic compounds
1437	34	58	0	0	1	6	498.524	0.014854	Sulfidic compounds
1438	35	58	0	0	1	7	510.524	0.010046	Sulfidic compounds
1439	36	58	0	0	1	8	522.524	0.006259	Sulfidic compounds
1440	37	58	0	0	1	9	534.524	0.003787	Sulfidic compounds
1441	38	58	0	0	1	10	546.524	0.002233	Sulfidic compounds
1442	39	58	0	0	1	11	558.524	0.001421	Sulfidic compounds
1443	40	58	0	0	1	12	570.524	0.00119	Sulfidic compounds
1444	41	58	0	0	1	13	582.524	0.000455	Sulfidic compounds
1445	42	58	0	0	1	14	594.524	0.000185	Sulfidic compounds
1446	43	58	0	0	1	15	606.524	7.8e-05	Sulfidic compounds
1447	44	58	0	0	1	16	618.524	8e-06	Sulfidic compounds
1448	45	58	0	0	1	17	630.524	1e-05	Sulfidic compounds
1449	29	60	0	0	1	0	440.54	7e-06	Sulfidic compounds
1450	30	60	0	0	1	1	452.54	0.00117	Sulfidic compounds
1451	31	60	0	0	1	2	464.54	0.008309	Sulfidic compounds
1452	32	60	0	0	1	3	476.54	0.015543	Sulfidic compounds
1453	33	60	0	0	1	4	488.54	0.024905	Sulfidic compounds
1454	34	60	0	0	1	5	500.54	0.016822	Sulfidic compounds
1455	35	60	0	0	1	6	512.54	0.011999	Sulfidic compounds
1456	36	60	0	0	1	7	524.54	0.007444	Sulfidic compounds
1457	37	60	0	0	1	8	536.54	0.004797	Sulfidic compounds
1458	38	60	0	0	1	9	548.54	0.003102	Sulfidic compounds
1459	39	60	0	0	1	10	560.54	0.001954	Sulfidic compounds
1460	40	60	0	0	1	11	572.54	0.001802	Sulfidic compounds
1461	41	60	0	0	1	12	584.54	0.000696	Sulfidic compounds
1462	42	60	0	0	1	13	596.54	0.000319	Sulfidic compounds
1463	43	60	0	0	1	14	608.54	0.000153	Sulfidic compounds
1464	31	62	0	0	1	1	466.556	0.001343	Sulfidic compounds
1465	32	62	0	0	1	2	478.556	0.006989	Sulfidic compounds
1466	33	62	0	0	1	3	490.556	0.017709	Sulfidic compounds
1467	34	62	0	0	1	4	502.556	0.017508	Sulfidic compounds
1468	35	62	0	0	1	5	514.556	0.013268	Sulfidic compounds
1469	36	62	0	0	1	6	526.556	0.009366	Sulfidic compounds
1470	37	62	0	0	1	7	538.556	0.005673	Sulfidic compounds
1471	38	62	0	0	1	8	550.556	0.003759	Sulfidic compounds
1472	39	62	0	0	1	9	562.556	0.002636	Sulfidic compounds
1473	40	62	0	0	1	10	574.556	0.002744	Sulfidic compounds
1474	41	62	0	0	1	11	586.556	0.001023	Sulfidic compounds
1475	42	62	0	0	1	12	598.556	0.000567	Sulfidic compounds
1476	43	62	0	0	1	13	610.556	0.000215	Sulfidic compounds
1477	44	62	0	0	1	14	622.556	8.9e-05	Sulfidic compounds
1478	45	62	0	0	1	15	634.556	1.9e-05	Sulfidic compounds
1479	46	62	0	0	1	16	646.556	9e-06	Sulfidic compounds
1480	47	62	0	0	1	17	658.556	1.4e-05	Sulfidic compounds
1481	32	64	0	0	1	1	480.572	0.001218	Sulfidic compounds
1482	33	64	0	0	1	2	492.572	0.008879	Sulfidic compounds
1483	34	64	0	0	1	3	504.572	0.01559	Sulfidic compounds
1484	35	64	0	0	1	4	516.572	0.01373	Sulfidic compounds
1485	36	64	0	0	1	5	528.572	0.009868	Sulfidic compounds
1486	37	64	0	0	1	6	540.572	0.006816	Sulfidic compounds
1487	38	64	0	0	1	7	552.572	0.004482	Sulfidic compounds
1488	39	64	0	0	1	8	564.572	0.002969	Sulfidic compounds
1489	40	64	0	0	1	9	576.572	0.003543	Sulfidic compounds
1490	41	64	0	0	1	10	588.572	0.001251	Sulfidic compounds
1491	42	64	0	0	1	11	600.572	0.000754	Sulfidic compounds
1492	43	64	0	0	1	12	612.572	0.000361	Sulfidic compounds
1493	44	64	0	0	1	13	624.572	0.000204	Sulfidic compounds
1494	45	64	0	0	1	14	636.572	3e-05	Sulfidic compounds
1495	46	64	0	0	1	15	648.572	1e-05	Sulfidic compounds
1496	47	64	0	0	1	16	660.572	9e-06	Sulfidic compounds
1497	33	66	0	0	1	1	494.588	0.001462	Sulfidic compounds
1498	34	66	0	0	1	2	506.588	0.009419	Sulfidic compounds
1499	35	66	0	0	1	3	518.588	0.013429	Sulfidic compounds
1500	36	66	0	0	1	4	530.588	0.010162	Sulfidic compounds
1501	37	66	0	0	1	5	542.588	0.006849	Sulfidic compounds
1502	38	66	0	0	1	6	554.588	0.005219	Sulfidic compounds
1503	39	66	0	0	1	7	566.588	0.003564	Sulfidic compounds
1504	40	66	0	0	1	8	578.588	0.005204	Sulfidic compounds
1505	41	66	0	0	1	9	590.588	0.001562	Sulfidic compounds
1506	42	66	0	0	1	10	602.588	0.00092	Sulfidic compounds
1507	43	66	0	0	1	11	614.588	0.000524	Sulfidic compounds
1508	44	66	0	0	1	12	626.588	0.000334	Sulfidic compounds
1509	45	66	0	0	1	13	638.588	0.000121	Sulfidic compounds
1510	46	66	0	0	1	14	650.588	6.9e-05	Sulfidic compounds
1511	47	66	0	0	1	15	662.588	1.2e-05	Sulfidic compounds
1512	52	66	0	0	1	20	722.588	0.000571	Sulfidic compounds
1513	34	68	0	0	1	1	508.604	0.001539	Sulfidic compounds
1514	35	68	0	0	1	2	520.604	0.008751	Sulfidic compounds
1515	36	68	0	0	1	3	532.604	0.010167	Sulfidic compounds
1516	37	68	0	0	1	4	544.604	0.006515	Sulfidic compounds
1517	38	68	0	0	1	5	556.604	0.005474	Sulfidic compounds
1518	39	68	0	0	1	6	568.604	0.004039	Sulfidic compounds
1519	40	68	0	0	1	7	580.604	0.006299	Sulfidic compounds
1520	41	68	0	0	1	8	592.604	0.001881	Sulfidic compounds
1521	42	68	0	0	1	9	604.604	0.001062	Sulfidic compounds
1522	43	68	0	0	1	10	616.604	0.000617	Sulfidic compounds
1523	44	68	0	0	1	11	628.604	0.000361	Sulfidic compounds
1524	45	68	0	0	1	12	640.604	0.000178	Sulfidic compounds
1525	46	68	0	0	1	13	652.604	6.2e-05	Sulfidic compounds
1526	47	68	0	0	1	14	664.604	1.1e-05	Sulfidic compounds
1527	48	68	0	0	1	15	676.604	1.2e-05	Sulfidic compounds
1528	53	68	0	0	1	20	736.604	1.1e-05	Sulfidic compounds
1529	35	70	0	0	1	1	522.62	0.001613	Sulfidic compounds
1530	36	70	0	0	1	2	534.62	0.006882	Sulfidic compounds
1531	37	70	0	0	1	3	546.62	0.006467	Sulfidic compounds
1532	38	70	0	0	1	4	558.62	0.005625	Sulfidic compounds
1533	39	70	0	0	1	5	570.62	0.004168	Sulfidic compounds
1534	40	70	0	0	1	6	582.62	0.007089	Sulfidic compounds
1535	41	70	0	0	1	7	594.62	0.002114	Sulfidic compounds
1536	42	70	0	0	1	8	606.62	0.001173	Sulfidic compounds
1537	43	70	0	0	1	9	618.62	0.000755	Sulfidic compounds
1538	44	70	0	0	1	10	630.62	0.000453	Sulfidic compounds
1539	45	70	0	0	1	11	642.62	0.000262	Sulfidic compounds
1540	46	70	0	0	1	12	654.62	0.000111	Sulfidic compounds
1541	47	70	0	0	1	13	666.62	7e-05	Sulfidic compounds
1542	48	70	0	0	1	14	678.62	1.4e-05	Sulfidic compounds
1543	49	70	0	0	1	15	690.62	2e-05	Sulfidic compounds
1544	50	70	0	0	1	16	702.62	1.2e-05	Sulfidic compounds
1545	35	72	0	0	1	0	524.636	1e-05	Sulfidic compounds
1546	36	72	0	0	1	1	536.636	0.001398	Sulfidic compounds
1547	37	72	0	0	1	2	548.636	0.003531	Sulfidic compounds
1548	38	72	0	0	1	3	560.636	0.006306	Sulfidic compounds
1549	39	72	0	0	1	4	572.636	0.004606	Sulfidic compounds
1550	40	72	0	0	1	5	584.636	0.007581	Sulfidic compounds
1551	41	72	0	0	1	6	596.636	0.002332	Sulfidic compounds
1552	42	72	0	0	1	7	608.636	0.001336	Sulfidic compounds
1553	43	72	0	0	1	8	620.636	0.000809	Sulfidic compounds
1554	44	72	0	0	1	9	632.636	0.000546	Sulfidic compounds
1555	45	72	0	0	1	10	644.636	0.000376	Sulfidic compounds
1556	46	72	0	0	1	11	656.636	0.000205	Sulfidic compounds
1557	47	72	0	0	1	12	668.636	6.8e-05	Sulfidic compounds
1558	48	72	0	0	1	13	680.636	6.2e-05	Sulfidic compounds
1559	49	72	0	0	1	14	692.636	2.3e-05	Sulfidic compounds
1560	51	72	0	0	1	16	716.636	1.2e-05	Sulfidic compounds
1561	37	74	0	0	1	1	550.652	0.000838	Sulfidic compounds
1562	38	74	0	0	1	2	562.652	0.003934	Sulfidic compounds
1563	39	74	0	0	1	3	574.652	0.004855	Sulfidic compounds
1564	40	74	0	0	1	4	586.652	0.005914	Sulfidic compounds
1565	41	74	0	0	1	5	598.652	0.002095	Sulfidic compounds
1566	42	74	0	0	1	6	610.652	0.001222	Sulfidic compounds
1567	43	74	0	0	1	7	622.652	0.000878	Sulfidic compounds
1568	44	74	0	0	1	8	634.652	0.000565	Sulfidic compounds
1569	45	74	0	0	1	9	646.652	0.00042	Sulfidic compounds
1570	46	74	0	0	1	10	658.652	0.000266	Sulfidic compounds
1571	47	74	0	0	1	11	670.652	9.4e-05	Sulfidic compounds
1572	48	74	0	0	1	12	682.652	9.5e-05	Sulfidic compounds
1573	49	74	0	0	1	13	694.652	5.2e-05	Sulfidic compounds
1574	50	74	0	0	1	14	706.652	1.3e-05	Sulfidic compounds
1575	38	76	0	0	1	1	564.668	0.00077	Sulfidic compounds
1576	39	76	0	0	1	2	576.668	0.003505	Sulfidic compounds
1577	40	76	0	0	1	3	588.668	0.004646	Sulfidic compounds
1578	41	76	0	0	1	4	600.668	0.002153	Sulfidic compounds
1579	42	76	0	0	1	5	612.668	0.001154	Sulfidic compounds
1580	43	76	0	0	1	6	624.668	0.000809	Sulfidic compounds
1581	44	76	0	0	1	7	636.668	0.000627	Sulfidic compounds
1582	45	76	0	0	1	8	648.668	0.000371	Sulfidic compounds
1583	46	76	0	0	1	9	660.668	0.000315	Sulfidic compounds
1584	47	76	0	0	1	10	672.668	0.000154	Sulfidic compounds
1585	48	76	0	0	1	11	684.668	0.000126	Sulfidic compounds
1586	49	76	0	0	1	12	696.668	5.4e-05	Sulfidic compounds
1587	50	76	0	0	1	13	708.668	1.7e-05	Sulfidic compounds
1588	39	78	0	0	1	1	578.684	0.000681	Sulfidic compounds
1589	40	78	0	0	1	2	590.684	0.002935	Sulfidic compounds
1590	41	78	0	0	1	3	602.684	0.002107	Sulfidic compounds
1591	42	78	0	0	1	4	614.684	0.001172	Sulfidic compounds
1592	43	78	0	0	1	5	626.684	0.0009	Sulfidic compounds
1593	44	78	0	0	1	6	638.684	0.000671	Sulfidic compounds
1594	45	78	0	0	1	7	650.684	0.000472	Sulfidic compounds
1595	46	78	0	0	1	8	662.684	0.000317	Sulfidic compounds
1596	47	78	0	0	1	9	674.684	0.000155	Sulfidic compounds
1597	48	78	0	0	1	10	686.684	0.000157	Sulfidic compounds
1598	49	78	0	0	1	11	698.684	6.9e-05	Sulfidic compounds
1599	50	78	0	0	1	12	710.684	3e-05	Sulfidic compounds
1600	52	78	0	0	1	14	734.684	2.1e-05	Sulfidic compounds
1601	40	80	0	0	1	1	592.7	0.000806	Sulfidic compounds
1602	41	80	0	0	1	2	604.7	0.001392	Sulfidic compounds
1603	42	80	0	0	1	3	616.7	0.0012	Sulfidic compounds
1604	43	80	0	0	1	4	628.7	0.000914	Sulfidic compounds
1605	44	80	0	0	1	5	640.7	0.000676	Sulfidic compounds
1606	45	80	0	0	1	6	652.7	0.000504	Sulfidic compounds
1607	46	80	0	0	1	7	664.7	0.000296	Sulfidic compounds
1608	47	80	0	0	1	8	676.7	0.000152	Sulfidic compounds
1609	48	80	0	0	1	9	688.7	0.000161	Sulfidic compounds
1610	49	80	0	0	1	10	700.7	6.8e-05	Sulfidic compounds
1611	50	80	0	0	1	11	712.7	5.7e-05	Sulfidic compounds
1612	51	80	0	0	1	12	724.7	1e-05	Sulfidic compounds
1613	52	80	0	0	1	13	736.7	1.5e-05	Sulfidic compounds
1614	41	82	0	0	1	1	606.716	0.000149	Sulfidic compounds
1615	42	82	0	0	1	2	618.716	0.000636	Sulfidic compounds
1616	43	82	0	0	1	3	630.716	0.001019	Sulfidic compounds
1617	44	82	0	0	1	4	642.716	0.00078	Sulfidic compounds
1618	45	82	0	0	1	5	654.716	0.000447	Sulfidic compounds
1619	46	82	0	0	1	6	666.716	0.000239	Sulfidic compounds
1620	47	82	0	0	1	7	678.716	0.000216	Sulfidic compounds
1621	48	82	0	0	1	8	690.716	7.3e-05	Sulfidic compounds
1622	49	82	0	0	1	9	702.716	5.3e-05	Sulfidic compounds
1623	50	82	0	0	1	10	714.716	6.4e-05	Sulfidic compounds
1624	51	82	0	0	1	11	726.716	7.4e-05	Sulfidic compounds
1625	52	82	0	0	1	12	738.716	1.3e-05	Sulfidic compounds
1626	42	84	0	0	1	1	620.732	2.9e-05	Sulfidic compounds
1627	43	84	0	0	1	2	632.732	0.000579	Sulfidic compounds
1628	44	84	0	0	1	3	644.732	0.000846	Sulfidic compounds
1629	45	84	0	0	1	4	656.732	0.000438	Sulfidic compounds
1630	46	84	0	0	1	5	668.732	0.000194	Sulfidic compounds
1631	47	84	0	0	1	6	680.732	0.000119	Sulfidic compounds
1632	48	84	0	0	1	7	692.732	8.3e-05	Sulfidic compounds
1633	49	84	0	0	1	8	704.732	8.5e-05	Sulfidic compounds
1634	50	84	0	0	1	9	716.732	4.3e-05	Sulfidic compounds
1635	51	84	0	0	1	10	728.732	6.3e-05	Sulfidic compounds
1636	43	86	0	0	1	1	634.748	3e-05	Sulfidic compounds
1637	44	86	0	0	1	2	646.748	0.000452	Sulfidic compounds
1638	45	86	0	0	1	3	658.748	0.000608	Sulfidic compounds
1639	46	86	0	0	1	4	670.748	0.000288	Sulfidic compounds
1640	47	86	0	0	1	5	682.748	8.7e-05	Sulfidic compounds
1641	48	86	0	0	1	6	694.748	5.2e-05	Sulfidic compounds
1642	49	86	0	0	1	7	706.748	8.8e-05	Sulfidic compounds
1643	50	86	0	0	1	8	718.748	3e-05	Sulfidic compounds
1644	44	88	0	0	1	1	648.764	1.7e-05	Sulfidic compounds
1645	45	88	0	0	1	2	660.764	0.000302	Sulfidic compounds
1646	46	88	0	0	1	3	672.764	0.000175	Sulfidic compounds
1647	47	88	0	0	1	4	684.764	6.4e-05	Sulfidic compounds
1648	48	88	0	0	1	5	696.764	1e-05	Sulfidic compounds
1649	49	88	0	0	1	6	708.764	1.8e-05	Sulfidic compounds
1650	50	88	0	0	1	7	720.764	4.2e-05	Sulfidic compounds
1651	51	88	0	0	1	8	732.764	1.1e-05	Sulfidic compounds
1652	52	88	0	0	1	9	744.764	1e-05	Sulfidic compounds
1653	54	88	0	0	1	11	768.764	1.1e-05	Sulfidic compounds
1654	45	90	0	0	1	1	662.78	2.2e-05	Sulfidic compounds
1655	46	90	0	0	1	2	674.78	4.7e-05	Sulfidic compounds
1656	47	90	0	0	1	3	686.78	0.000147	Sulfidic compounds
1657	48	90	0	0	1	4	698.78	5.8e-05	Sulfidic compounds
1658	49	90	0	0	1	5	710.78	3.8e-05	Sulfidic compounds
1659	50	90	0	0	1	6	722.78	1e-05	Sulfidic compounds
1660	47	92	0	0	1	2	688.796	1e-05	Sulfidic compounds
1661	48	92	0	0	1	3	700.796	4e-05	Sulfidic compounds
1662	50	92	0	0	1	5	724.796	9e-06	Sulfidic compounds
1663	53	92	0	0	1	8	760.796	1.2e-05	Sulfidic compounds
1664	49	94	0	0	1	3	714.812	1.8e-05	Sulfidic compounds
1665	50	94	0	0	1	4	726.812	3.2e-05	Sulfidic compounds
1666	51	94	0	0	1	5	738.812	1.1e-05	Sulfidic compounds
1667	48	96	0	0	1	1	704.828	1e-05	Sulfidic compounds
1668	53	96	0	0	1	6	764.828	1.1e-05	Sulfidic compounds
1669	16	10	0	0	1	12	234.14	1.3e-05	Thiophenic compounds
1670	17	10	0	0	1	13	246.14	9.5e-05	Thiophenic compounds
1671	22	10	0	0	1	18	306.14	1.6e-05	Thiophenic compounds
1672	25	10	0	0	1	21	342.14	1.8e-05	Thiophenic compounds
1673	31	10	0	0	1	27	414.14	1.8e-05	Thiophenic compounds
1674	33	10	0	0	1	29	438.14	0.000907	Thiophenic compounds
1675	37	10	0	0	1	33	486.14	0.00096	Thiophenic compounds
1676	13	12	0	0	1	8	200.156	8.3e-05	Thiophenic compounds
1677	14	12	0	0	1	9	212.156	0.000405	Thiophenic compounds
1678	15	12	0	0	1	10	224.156	0.000462	Thiophenic compounds
1679	16	12	0	0	1	11	236.156	0.000165	Thiophenic compounds
1680	17	12	0	0	1	12	248.156	0.000415	Thiophenic compounds
1681	18	12	0	0	1	13	260.156	0.000135	Thiophenic compounds
1682	19	12	0	0	1	14	272.156	0.000341	Thiophenic compounds
1683	33	12	0	0	1	28	440.156	0.000133	Thiophenic compounds
1684	34	12	0	0	1	29	452.156	0.001449	Thiophenic compounds
1685	37	12	0	0	1	32	488.156	0.000111	Thiophenic compounds
1686	13	14	0	0	1	7	202.172	0.000211	Thiophenic compounds
1687	14	14	0	0	1	8	214.172	0.000195	Thiophenic compounds
1688	15	14	0	0	1	9	226.172	0.000957	Thiophenic compounds
1689	16	14	0	0	1	10	238.172	0.000512	Thiophenic compounds
1690	17	14	0	0	1	11	250.172	0.000533	Thiophenic compounds
1691	18	14	0	0	1	12	262.172	0.00061	Thiophenic compounds
1692	19	14	0	0	1	13	274.172	0.001074	Thiophenic compounds
1693	20	14	0	0	1	14	286.172	0.000462	Thiophenic compounds
1694	21	14	0	0	1	15	298.172	2.9e-05	Thiophenic compounds
1695	23	14	0	0	1	17	322.172	0.000163	Thiophenic compounds
1696	25	14	0	0	1	19	346.172	1.8e-05	Thiophenic compounds
1697	35	14	0	0	1	29	466.172	2.5e-05	Thiophenic compounds
1698	45	14	0	0	1	39	586.172	0.000326	Thiophenic compounds
1699	52	14	0	0	1	46	670.172	0.000512	Thiophenic compounds
1700	14	16	0	0	1	7	216.188	9.7e-05	Thiophenic compounds
1701	15	16	0	0	1	8	228.188	0.000142	Thiophenic compounds
1702	16	16	0	0	1	9	240.188	0.001857	Thiophenic compounds
1703	17	16	0	0	1	10	252.188	0.002215	Thiophenic compounds
1704	18	16	0	0	1	11	264.188	0.001272	Thiophenic compounds
1705	19	16	0	0	1	12	276.188	0.00316	Thiophenic compounds
1706	20	16	0	0	1	13	288.188	0.001139	Thiophenic compounds
1707	21	16	0	0	1	14	300.188	0.000791	Thiophenic compounds
1708	22	16	0	0	1	15	312.188	0.00023	Thiophenic compounds
1709	30	16	0	0	1	23	408.188	0.000478	Thiophenic compounds
1710	34	16	0	0	1	27	456.188	2.6e-05	Thiophenic compounds
1711	40	16	0	0	1	33	528.188	3.9e-05	Thiophenic compounds
1712	46	16	0	0	1	39	600.188	0.000346	Thiophenic compounds
1713	60	16	0	0	1	53	768.188	4.1e-05	Thiophenic compounds
1714	14	18	0	0	1	6	218.204	0.000168	Thiophenic compounds
1715	15	18	0	0	1	7	230.204	0.000191	Thiophenic compounds
1716	16	18	0	0	1	8	242.204	0.000315	Thiophenic compounds
1717	17	18	0	0	1	9	254.204	0.002367	Thiophenic compounds
1718	18	18	0	0	1	10	266.204	0.004462	Thiophenic compounds
1719	19	18	0	0	1	11	278.204	0.003435	Thiophenic compounds
1720	20	18	0	0	1	12	290.204	0.008812	Thiophenic compounds
1721	21	18	0	0	1	13	302.204	0.002301	Thiophenic compounds
1722	22	18	0	0	1	14	314.204	0.00134	Thiophenic compounds
1723	23	18	0	0	1	15	326.204	0.000461	Thiophenic compounds
1724	24	18	0	0	1	16	338.204	4.2e-05	Thiophenic compounds
1725	25	18	0	0	1	17	350.204	0.000809	Thiophenic compounds
1726	46	18	0	0	1	38	602.204	3.2e-05	Thiophenic compounds
1727	47	18	0	0	1	39	614.204	3.5e-05	Thiophenic compounds
1728	13	20	0	0	1	4	208.22	4.7e-05	Thiophenic compounds
1729	16	20	0	0	1	7	244.22	0.000704	Thiophenic compounds
1730	17	20	0	0	1	8	256.22	0.000312	Thiophenic compounds
1731	18	20	0	0	1	9	268.22	0.004007	Thiophenic compounds
1732	19	20	0	0	1	10	280.22	0.011557	Thiophenic compounds
1733	20	20	0	0	1	11	292.22	0.007793	Thiophenic compounds
1734	21	20	0	0	1	12	304.22	0.012564	Thiophenic compounds
1735	22	20	0	0	1	13	316.22	0.005327	Thiophenic compounds
1736	23	20	0	0	1	14	328.22	0.002225	Thiophenic compounds
1737	24	20	0	0	1	15	340.22	0.000657	Thiophenic compounds
1738	25	20	0	0	1	16	352.22	9.7e-05	Thiophenic compounds
1739	44	20	0	0	1	35	580.22	3.2e-05	Thiophenic compounds
1740	14	22	0	0	1	4	222.236	0.000115	Thiophenic compounds
1741	17	22	0	0	1	7	258.236	0.000573	Thiophenic compounds
1742	18	22	0	0	1	8	270.236	0.001192	Thiophenic compounds
1743	19	22	0	0	1	9	282.236	0.006382	Thiophenic compounds
1744	20	22	0	0	1	10	294.236	0.012573	Thiophenic compounds
1745	21	22	0	0	1	11	306.236	0.014219	Thiophenic compounds
1746	22	22	0	0	1	12	318.236	0.016187	Thiophenic compounds
1747	23	22	0	0	1	13	330.236	0.009222	Thiophenic compounds
1748	24	22	0	0	1	14	342.236	0.003976	Thiophenic compounds
1749	25	22	0	0	1	15	354.236	0.000998	Thiophenic compounds
1750	26	22	0	0	1	16	366.236	0.000292	Thiophenic compounds
1751	27	22	0	0	1	17	378.236	1.7e-05	Thiophenic compounds
1752	39	22	0	0	1	29	522.236	0.000584	Thiophenic compounds
1753	13	24	0	0	1	2	212.252	1.2e-05	Thiophenic compounds
1754	18	24	0	0	1	7	272.252	0.000412	Thiophenic compounds
1755	19	24	0	0	1	8	284.252	0.000743	Thiophenic compounds
1756	20	24	0	0	1	9	296.252	0.003309	Thiophenic compounds
1757	21	24	0	0	1	10	308.252	0.015404	Thiophenic compounds
1758	22	24	0	0	1	11	320.252	0.021361	Thiophenic compounds
1759	23	24	0	0	1	12	332.252	0.019223	Thiophenic compounds
1760	24	24	0	0	1	13	344.252	0.011413	Thiophenic compounds
1761	25	24	0	0	1	14	356.252	0.005359	Thiophenic compounds
1762	26	24	0	0	1	15	368.252	0.001171	Thiophenic compounds
1763	27	24	0	0	1	16	380.252	0.000445	Thiophenic compounds
1764	29	24	0	0	1	18	404.252	0.000384	Thiophenic compounds
1765	38	24	0	0	1	27	512.252	3.3e-05	Thiophenic compounds
1766	45	24	0	0	1	34	596.252	6.8e-05	Thiophenic compounds
1767	15	26	0	0	1	3	238.268	1.2e-05	Thiophenic compounds
1768	16	26	0	0	1	4	250.268	1.2e-05	Thiophenic compounds
1769	18	26	0	0	1	6	274.268	7.1e-05	Thiophenic compounds
1770	19	26	0	0	1	7	286.268	0.000518	Thiophenic compounds
1771	20	26	0	0	1	8	298.268	0.0013	Thiophenic compounds
1772	21	26	0	0	1	9	310.268	0.004745	Thiophenic compounds
1773	22	26	0	0	1	10	322.268	0.016224	Thiophenic compounds
1774	23	26	0	0	1	11	334.268	0.027062	Thiophenic compounds
1775	24	26	0	0	1	12	346.268	0.020632	Thiophenic compounds
1776	25	26	0	0	1	13	358.268	0.011577	Thiophenic compounds
1777	26	26	0	0	1	14	370.268	0.006595	Thiophenic compounds
1778	27	26	0	0	1	15	382.268	0.001519	Thiophenic compounds
1779	28	26	0	0	1	16	394.268	0.000517	Thiophenic compounds
1780	29	26	0	0	1	17	406.268	4.3e-05	Thiophenic compounds
1781	60	26	0	0	1	48	778.268	4.1e-05	Thiophenic compounds
1782	16	28	0	0	1	3	252.284	2.6e-05	Thiophenic compounds
1783	17	28	0	0	1	4	264.284	4e-05	Thiophenic compounds
1784	18	28	0	0	1	5	276.284	1.7e-05	Thiophenic compounds
1785	19	28	0	0	1	6	288.284	6.9e-05	Thiophenic compounds
1786	20	28	0	0	1	7	300.284	0.000638	Thiophenic compounds
1787	21	28	0	0	1	8	312.284	0.001428	Thiophenic compounds
1788	22	28	0	0	1	9	324.284	0.006533	Thiophenic compounds
1789	23	28	0	0	1	10	336.284	0.01814	Thiophenic compounds
1790	24	28	0	0	1	11	348.284	0.02856	Thiophenic compounds
1791	25	28	0	0	1	12	360.284	0.020457	Thiophenic compounds
1792	26	28	0	0	1	13	372.284	0.010532	Thiophenic compounds
1793	27	28	0	0	1	14	384.284	0.005326	Thiophenic compounds
1794	28	28	0	0	1	15	396.284	0.001624	Thiophenic compounds
1795	29	28	0	0	1	16	408.284	0.000619	Thiophenic compounds
1796	30	28	0	0	1	17	420.284	6.1e-05	Thiophenic compounds
1797	14	30	0	0	1	0	230.3	2.1e-05	Thiophenic compounds
1798	17	30	0	0	1	3	266.3	1.3e-05	Thiophenic compounds
1799	18	30	0	0	1	4	278.3	4e-05	Thiophenic compounds
1800	20	30	0	0	1	6	302.3	0.000168	Thiophenic compounds
1801	21	30	0	0	1	7	314.3	0.000868	Thiophenic compounds
1802	22	30	0	0	1	8	326.3	0.00174	Thiophenic compounds
1803	23	30	0	0	1	9	338.3	0.008199	Thiophenic compounds
1804	24	30	0	0	1	10	350.3	0.020642	Thiophenic compounds
1805	25	30	0	0	1	11	362.3	0.02567	Thiophenic compounds
1806	26	30	0	0	1	12	374.3	0.018533	Thiophenic compounds
1807	27	30	0	0	1	13	386.3	0.008851	Thiophenic compounds
1808	28	30	0	0	1	14	398.3	0.00456	Thiophenic compounds
1809	29	30	0	0	1	15	410.3	0.00177	Thiophenic compounds
1810	30	30	0	0	1	16	422.3	0.000539	Thiophenic compounds
1811	31	30	0	0	1	17	434.3	4.6e-05	Thiophenic compounds
1812	16	32	0	0	1	1	256.316	1.4e-05	Thiophenic compounds
1813	18	32	0	0	1	3	280.316	6.9e-05	Thiophenic compounds
1814	20	32	0	0	1	5	304.316	4.5e-05	Thiophenic compounds
1815	21	32	0	0	1	6	316.316	0.000228	Thiophenic compounds
1816	22	32	0	0	1	7	328.316	0.001046	Thiophenic compounds
1817	23	32	0	0	1	8	340.316	0.002473	Thiophenic compounds
1818	24	32	0	0	1	9	352.316	0.010656	Thiophenic compounds
1819	25	32	0	0	1	10	364.316	0.021376	Thiophenic compounds
1820	26	32	0	0	1	11	376.316	0.022206	Thiophenic compounds
1821	27	32	0	0	1	12	388.316	0.015736	Thiophenic compounds
1822	28	32	0	0	1	13	400.316	0.007274	Thiophenic compounds
1823	29	32	0	0	1	14	412.316	0.003995	Thiophenic compounds
1824	30	32	0	0	1	15	424.316	0.001608	Thiophenic compounds
1825	31	32	0	0	1	16	436.316	0.000602	Thiophenic compounds
1826	32	32	0	0	1	17	448.316	5.9e-05	Thiophenic compounds
1827	33	32	0	0	1	18	460.316	2.6e-05	Thiophenic compounds
1828	35	32	0	0	1	20	484.316	2.4e-05	Thiophenic compounds
1829	19	34	0	0	1	3	294.332	2.3e-05	Thiophenic compounds
1830	20	34	0	0	1	4	306.332	8.7e-05	Thiophenic compounds
1831	21	34	0	0	1	5	318.332	3.2e-05	Thiophenic compounds
1832	22	34	0	0	1	6	330.332	0.00036	Thiophenic compounds
1833	23	34	0	0	1	7	342.332	0.001327	Thiophenic compounds
1834	24	34	0	0	1	8	354.332	0.003436	Thiophenic compounds
1835	25	34	0	0	1	9	366.332	0.01252	Thiophenic compounds
1836	26	34	0	0	1	10	378.332	0.021438	Thiophenic compounds
1837	27	34	0	0	1	11	390.332	0.019142	Thiophenic compounds
1838	28	34	0	0	1	12	402.332	0.012663	Thiophenic compounds
1839	29	34	0	0	1	13	414.332	0.006186	Thiophenic compounds
1840	30	34	0	0	1	14	426.332	0.003039	Thiophenic compounds
1841	31	34	0	0	1	15	438.332	0.001385	Thiophenic compounds
1842	32	34	0	0	1	16	450.332	0.000605	Thiophenic compounds
1843	33	34	0	0	1	17	462.332	0.000107	Thiophenic compounds
1844	37	34	0	0	1	21	510.332	2.8e-05	Thiophenic compounds
1845	40	34	0	0	1	24	546.332	2.6e-05	Thiophenic compounds
1846	20	36	0	0	1	3	308.348	1.3e-05	Thiophenic compounds
1847	21	36	0	0	1	4	320.348	1.6e-05	Thiophenic compounds
1848	22	36	0	0	1	5	332.348	7e-05	Thiophenic compounds
1849	23	36	0	0	1	6	344.348	0.000417	Thiophenic compounds
1850	24	36	0	0	1	7	356.348	0.001855	Thiophenic compounds
1851	25	36	0	0	1	8	368.348	0.004458	Thiophenic compounds
1852	26	36	0	0	1	9	380.348	0.013456	Thiophenic compounds
1853	27	36	0	0	1	10	392.348	0.022945	Thiophenic compounds
1854	28	36	0	0	1	11	404.348	0.016075	Thiophenic compounds
1855	29	36	0	0	1	12	416.348	0.010076	Thiophenic compounds
1856	30	36	0	0	1	13	428.348	0.004881	Thiophenic compounds
1857	31	36	0	0	1	14	440.348	0.00237	Thiophenic compounds
1858	32	36	0	0	1	15	452.348	0.001217	Thiophenic compounds
1859	33	36	0	0	1	16	464.348	0.000405	Thiophenic compounds
1860	34	36	0	0	1	17	476.348	6e-05	Thiophenic compounds
1861	35	36	0	0	1	18	488.348	2.1e-05	Thiophenic compounds
1862	46	36	0	0	1	29	620.348	2.6e-05	Thiophenic compounds
1863	47	36	0	0	1	30	632.348	2.9e-05	Thiophenic compounds
1864	21	38	0	0	1	3	322.364	0.000155	Thiophenic compounds
1865	22	38	0	0	1	4	334.364	0.000118	Thiophenic compounds
1866	23	38	0	0	1	5	346.364	4.9e-05	Thiophenic compounds
1867	24	38	0	0	1	6	358.364	0.000614	Thiophenic compounds
1868	25	38	0	0	1	7	370.364	0.003453	Thiophenic compounds
1869	26	38	0	0	1	8	382.364	0.006074	Thiophenic compounds
1870	27	38	0	0	1	9	394.364	0.013201	Thiophenic compounds
1871	28	38	0	0	1	10	406.364	0.020841	Thiophenic compounds
1872	29	38	0	0	1	11	418.364	0.012627	Thiophenic compounds
1873	30	38	0	0	1	12	430.364	0.006794	Thiophenic compounds
1874	31	38	0	0	1	13	442.364	0.003877	Thiophenic compounds
1875	32	38	0	0	1	14	454.364	0.002029	Thiophenic compounds
1876	33	38	0	0	1	15	466.364	0.001081	Thiophenic compounds
1877	34	38	0	0	1	16	478.364	0.000153	Thiophenic compounds
1878	35	38	0	0	1	17	490.364	3.4e-05	Thiophenic compounds
1879	49	38	0	0	1	31	658.364	4.1e-05	Thiophenic compounds
1880	22	40	0	0	1	3	336.38	2e-05	Thiophenic compounds
1881	23	40	0	0	1	4	348.38	8.8e-05	Thiophenic compounds
1882	24	40	0	0	1	5	360.38	2.6e-05	Thiophenic compounds
1883	25	40	0	0	1	6	372.38	0.001204	Thiophenic compounds
1884	26	40	0	0	1	7	384.38	0.004515	Thiophenic compounds
1885	27	40	0	0	1	8	396.38	0.007309	Thiophenic compounds
1886	28	40	0	0	1	9	408.38	0.012994	Thiophenic compounds
1887	29	40	0	0	1	10	420.38	0.015501	Thiophenic compounds
1888	30	40	0	0	1	11	432.38	0.009782	Thiophenic compounds
1889	31	40	0	0	1	12	444.38	0.005605	Thiophenic compounds
1890	32	40	0	0	1	13	456.38	0.00278	Thiophenic compounds
1891	33	40	0	0	1	14	468.38	0.001504	Thiophenic compounds
1892	34	40	0	0	1	15	480.38	0.000749	Thiophenic compounds
1893	35	40	0	0	1	16	492.38	0.000177	Thiophenic compounds
1894	36	40	0	0	1	17	504.38	2.8e-05	Thiophenic compounds
1895	45	40	0	0	1	26	612.38	2.9e-05	Thiophenic compounds
1896	22	42	0	0	1	2	338.396	3.3e-05	Thiophenic compounds
1897	23	42	0	0	1	3	350.396	6.4e-05	Thiophenic compounds
1898	24	42	0	0	1	4	362.396	4.7e-05	Thiophenic compounds
1899	25	42	0	0	1	5	374.396	6.5e-05	Thiophenic compounds
1900	26	42	0	0	1	6	386.396	0.001767	Thiophenic compounds
1901	27	42	0	0	1	7	398.396	0.005015	Thiophenic compounds
1902	28	42	0	0	1	8	410.396	0.006981	Thiophenic compounds
1903	29	42	0	0	1	9	422.396	0.012002	Thiophenic compounds
1904	30	42	0	0	1	10	434.396	0.011914	Thiophenic compounds
1905	31	42	0	0	1	11	446.396	0.007628	Thiophenic compounds
1906	32	42	0	0	1	12	458.396	0.003921	Thiophenic compounds
1907	33	42	0	0	1	13	470.396	0.002003	Thiophenic compounds
1908	34	42	0	0	1	14	482.396	0.001176	Thiophenic compounds
1909	35	42	0	0	1	15	494.396	0.000432	Thiophenic compounds
1910	36	42	0	0	1	16	506.396	4.5e-05	Thiophenic compounds
1911	37	42	0	0	1	17	518.396	2.7e-05	Thiophenic compounds
1912	38	42	0	0	1	18	530.396	3.8e-05	Thiophenic compounds
1913	25	44	0	0	1	4	376.412	4.5e-05	Thiophenic compounds
1914	26	44	0	0	1	5	388.412	6.2e-05	Thiophenic compounds
1915	27	44	0	0	1	6	400.412	0.002274	Thiophenic compounds
1916	28	44	0	0	1	7	412.412	0.004832	Thiophenic compounds
1917	29	44	0	0	1	8	424.412	0.007174	Thiophenic compounds
1918	30	44	0	0	1	9	436.412	0.010222	Thiophenic compounds
1919	31	44	0	0	1	10	448.412	0.008538	Thiophenic compounds
1920	32	44	0	0	1	11	460.412	0.005375	Thiophenic compounds
1921	33	44	0	0	1	12	472.412	0.002892	Thiophenic compounds
1922	34	44	0	0	1	13	484.412	0.001559	Thiophenic compounds
1923	35	44	0	0	1	14	496.412	0.000909	Thiophenic compounds
1924	36	44	0	0	1	15	508.412	0.000406	Thiophenic compounds
1925	37	44	0	0	1	16	520.412	5.1e-05	Thiophenic compounds
1926	38	44	0	0	1	17	532.412	2.8e-05	Thiophenic compounds
1927	24	46	0	0	1	2	366.428	1.5e-05	Thiophenic compounds
1928	25	46	0	0	1	3	378.428	3.6e-05	Thiophenic compounds
1929	26	46	0	0	1	4	390.428	3.5e-05	Thiophenic compounds
1930	27	46	0	0	1	5	402.428	6.3e-05	Thiophenic compounds
1931	28	46	0	0	1	6	414.428	0.00222	Thiophenic compounds
1932	29	46	0	0	1	7	426.428	0.005333	Thiophenic compounds
1933	30	46	0	0	1	8	438.428	0.00669	Thiophenic compounds
1934	31	46	0	0	1	9	450.428	0.008479	Thiophenic compounds
1935	32	46	0	0	1	10	462.428	0.006295	Thiophenic compounds
1936	33	46	0	0	1	11	474.428	0.00419	Thiophenic compounds
1937	34	46	0	0	1	12	486.428	0.002302	Thiophenic compounds
1938	35	46	0	0	1	13	498.428	0.00132	Thiophenic compounds
1939	36	46	0	0	1	14	510.428	0.000678	Thiophenic compounds
1940	37	46	0	0	1	15	522.428	0.000233	Thiophenic compounds
1941	38	46	0	0	1	16	534.428	8.4e-05	Thiophenic compounds
1942	39	46	0	0	1	17	546.428	3.1e-05	Thiophenic compounds
1943	41	46	0	0	1	19	570.428	3e-05	Thiophenic compounds
1944	26	48	0	0	1	3	392.444	2.3e-05	Thiophenic compounds
1945	27	48	0	0	1	4	404.444	0.000136	Thiophenic compounds
1946	28	48	0	0	1	5	416.444	0.000125	Thiophenic compounds
1947	29	48	0	0	1	6	428.444	0.002625	Thiophenic compounds
1948	30	48	0	0	1	7	440.444	0.005689	Thiophenic compounds
1949	31	48	0	0	1	8	452.444	0.006144	Thiophenic compounds
1950	32	48	0	0	1	9	464.444	0.005918	Thiophenic compounds
1951	33	48	0	0	1	10	476.444	0.004512	Thiophenic compounds
1952	34	48	0	0	1	11	488.444	0.003009	Thiophenic compounds
1953	35	48	0	0	1	12	500.444	0.001619	Thiophenic compounds
1954	36	48	0	0	1	13	512.444	0.000937	Thiophenic compounds
1955	37	48	0	0	1	14	524.444	0.00034	Thiophenic compounds
1956	38	48	0	0	1	15	536.444	2.9e-05	Thiophenic compounds
1957	39	48	0	0	1	16	548.444	3.7e-05	Thiophenic compounds
1958	48	48	0	0	1	25	656.444	3.7e-05	Thiophenic compounds
1959	27	50	0	0	1	3	406.46	4.1e-05	Thiophenic compounds
1960	28	50	0	0	1	4	418.46	0.000135	Thiophenic compounds
1961	29	50	0	0	1	5	430.46	0.000118	Thiophenic compounds
1962	30	50	0	0	1	6	442.46	0.00285	Thiophenic compounds
1963	31	50	0	0	1	7	454.46	0.004954	Thiophenic compounds
1964	32	50	0	0	1	8	466.46	0.005078	Thiophenic compounds
1965	33	50	0	0	1	9	478.46	0.004468	Thiophenic compounds
1966	34	50	0	0	1	10	490.46	0.003456	Thiophenic compounds
1967	35	50	0	0	1	11	502.46	0.002114	Thiophenic compounds
1968	36	50	0	0	1	12	514.46	0.001067	Thiophenic compounds
1969	37	50	0	0	1	13	526.46	0.000454	Thiophenic compounds
1970	38	50	0	0	1	14	538.46	0.00039	Thiophenic compounds
1971	39	50	0	0	1	15	550.46	6.7e-05	Thiophenic compounds
1972	40	50	0	0	1	16	562.46	2.6e-05	Thiophenic compounds
1973	41	50	0	0	1	17	574.46	3.6e-05	Thiophenic compounds
1974	28	52	0	0	1	3	420.476	2.4e-05	Thiophenic compounds
1975	29	52	0	0	1	4	432.476	7.8e-05	Thiophenic compounds
1976	30	52	0	0	1	5	444.476	0.00041	Thiophenic compounds
1977	31	52	0	0	1	6	456.476	0.002578	Thiophenic compounds
1978	32	52	0	0	1	7	468.476	0.003981	Thiophenic compounds
1979	33	52	0	0	1	8	480.476	0.004447	Thiophenic compounds
1980	34	52	0	0	1	9	492.476	0.003339	Thiophenic compounds
1981	35	52	0	0	1	10	504.476	0.002539	Thiophenic compounds
1982	36	52	0	0	1	11	516.476	0.001551	Thiophenic compounds
1983	37	52	0	0	1	12	528.476	0.000913	Thiophenic compounds
1984	38	52	0	0	1	13	540.476	0.000313	Thiophenic compounds
1985	39	52	0	0	1	14	552.476	0.000117	Thiophenic compounds
1986	40	52	0	0	1	15	564.476	9.1e-05	Thiophenic compounds
1987	41	52	0	0	1	16	576.476	6.4e-05	Thiophenic compounds
1988	29	54	0	0	1	3	434.492	0.000105	Thiophenic compounds
1989	30	54	0	0	1	4	446.492	0.000278	Thiophenic compounds
1990	31	54	0	0	1	5	458.492	0.000251	Thiophenic compounds
1991	32	54	0	0	1	6	470.492	0.002528	Thiophenic compounds
1992	33	54	0	0	1	7	482.492	0.00274	Thiophenic compounds
1993	34	54	0	0	1	8	494.492	0.003367	Thiophenic compounds
1994	35	54	0	0	1	9	506.492	0.002834	Thiophenic compounds
1995	36	54	0	0	1	10	518.492	0.001747	Thiophenic compounds
1996	37	54	0	0	1	11	530.492	0.001182	Thiophenic compounds
1997	38	54	0	0	1	12	542.492	0.00059	Thiophenic compounds
1998	39	54	0	0	1	13	554.492	0.000225	Thiophenic compounds
1999	40	54	0	0	1	14	566.492	0.000219	Thiophenic compounds
2000	43	54	0	0	1	17	602.492	3.6e-05	Thiophenic compounds
2001	52	54	0	0	1	26	710.492	3.8e-05	Thiophenic compounds
2002	29	56	0	0	1	2	436.508	2e-05	Thiophenic compounds
2003	30	56	0	0	1	3	448.508	4.3e-05	Thiophenic compounds
2004	31	56	0	0	1	4	460.508	0.000224	Thiophenic compounds
2005	32	56	0	0	1	5	472.508	0.000277	Thiophenic compounds
2006	33	56	0	0	1	6	484.508	0.001798	Thiophenic compounds
2007	34	56	0	0	1	7	496.508	0.002456	Thiophenic compounds
2008	35	56	0	0	1	8	508.508	0.002583	Thiophenic compounds
2009	36	56	0	0	1	9	520.508	0.001963	Thiophenic compounds
2010	37	56	0	0	1	10	532.508	0.001431	Thiophenic compounds
2011	38	56	0	0	1	11	544.508	0.000914	Thiophenic compounds
2012	39	56	0	0	1	12	556.508	0.000444	Thiophenic compounds
2013	40	56	0	0	1	13	568.508	0.000143	Thiophenic compounds
2014	41	56	0	0	1	14	580.508	3.1e-05	Thiophenic compounds
2015	31	58	0	0	1	3	462.524	0.000142	Thiophenic compounds
2016	32	58	0	0	1	4	474.524	0.000264	Thiophenic compounds
2017	33	58	0	0	1	5	486.524	0.000627	Thiophenic compounds
2018	34	58	0	0	1	6	498.524	0.001592	Thiophenic compounds
2019	35	58	0	0	1	7	510.524	0.002136	Thiophenic compounds
2020	36	58	0	0	1	8	522.524	0.001734	Thiophenic compounds
2021	37	58	0	0	1	9	534.524	0.001575	Thiophenic compounds
2022	38	58	0	0	1	10	546.524	0.001014	Thiophenic compounds
2023	39	58	0	0	1	11	558.524	0.000642	Thiophenic compounds
2024	40	58	0	0	1	12	570.524	0.000202	Thiophenic compounds
2025	41	58	0	0	1	13	582.524	6.8e-05	Thiophenic compounds
2026	42	58	0	0	1	14	594.524	2.6e-05	Thiophenic compounds
2027	45	58	0	0	1	17	630.524	2.8e-05	Thiophenic compounds
2028	52	58	0	0	1	24	714.524	4e-05	Thiophenic compounds
2029	31	60	0	0	1	2	464.54	2.7e-05	Thiophenic compounds
2030	32	60	0	0	1	3	476.54	0.000173	Thiophenic compounds
2031	33	60	0	0	1	4	488.54	0.000361	Thiophenic compounds
2032	34	60	0	0	1	5	500.54	0.000438	Thiophenic compounds
2033	35	60	0	0	1	6	512.54	0.001502	Thiophenic compounds
2034	36	60	0	0	1	7	524.54	0.001547	Thiophenic compounds
2035	37	60	0	0	1	8	536.54	0.00136	Thiophenic compounds
2036	38	60	0	0	1	9	548.54	0.001247	Thiophenic compounds
2037	39	60	0	0	1	10	560.54	0.000716	Thiophenic compounds
2038	40	60	0	0	1	11	572.54	0.000532	Thiophenic compounds
2039	41	60	0	0	1	12	584.54	2.9e-05	Thiophenic compounds
2040	42	60	0	0	1	13	596.54	2.9e-05	Thiophenic compounds
2041	53	60	0	0	1	24	728.54	3.1e-05	Thiophenic compounds
2042	31	62	0	0	1	1	466.556	2.4e-05	Thiophenic compounds
2043	33	62	0	0	1	3	490.556	0.00024	Thiophenic compounds
2044	34	62	0	0	1	4	502.556	0.000213	Thiophenic compounds
2045	35	62	0	0	1	5	514.556	0.000283	Thiophenic compounds
2046	36	62	0	0	1	6	526.556	0.001256	Thiophenic compounds
2047	37	62	0	0	1	7	538.556	0.001164	Thiophenic compounds
2048	38	62	0	0	1	8	550.556	0.000726	Thiophenic compounds
2049	39	62	0	0	1	9	562.556	0.000857	Thiophenic compounds
2050	40	62	0	0	1	10	574.556	0.00073	Thiophenic compounds
2051	41	62	0	0	1	11	586.556	0.000229	Thiophenic compounds
2052	42	62	0	0	1	12	598.556	5.5e-05	Thiophenic compounds
2053	43	62	0	0	1	13	610.556	3.3e-05	Thiophenic compounds
2054	52	62	0	0	1	22	718.556	3.5e-05	Thiophenic compounds
2055	33	64	0	0	1	2	492.572	8e-05	Thiophenic compounds
2056	34	64	0	0	1	3	504.572	0.000143	Thiophenic compounds
2057	35	64	0	0	1	4	516.572	0.000156	Thiophenic compounds
2058	36	64	0	0	1	5	528.572	0.000304	Thiophenic compounds
2059	37	64	0	0	1	6	540.572	0.000986	Thiophenic compounds
2060	38	64	0	0	1	7	552.572	0.000665	Thiophenic compounds
2061	39	64	0	0	1	8	564.572	0.000681	Thiophenic compounds
2062	40	64	0	0	1	9	576.572	0.001009	Thiophenic compounds
2063	41	64	0	0	1	10	588.572	0.000258	Thiophenic compounds
2064	42	64	0	0	1	11	600.572	3e-05	Thiophenic compounds
2065	44	64	0	0	1	13	624.572	3.2e-05	Thiophenic compounds
2066	49	64	0	0	1	18	684.572	3e-05	Thiophenic compounds
2067	51	64	0	0	1	20	708.572	3.9e-05	Thiophenic compounds
2068	34	66	0	0	1	2	506.588	0.000145	Thiophenic compounds
2069	35	66	0	0	1	3	518.588	0.000134	Thiophenic compounds
2070	36	66	0	0	1	4	530.588	0.000223	Thiophenic compounds
2071	37	66	0	0	1	5	542.588	0.000224	Thiophenic compounds
2072	38	66	0	0	1	6	554.588	0.000599	Thiophenic compounds
2073	39	66	0	0	1	7	566.588	0.000718	Thiophenic compounds
2074	40	66	0	0	1	8	578.588	0.000564	Thiophenic compounds
2075	41	66	0	0	1	9	590.588	0.000444	Thiophenic compounds
2076	42	66	0	0	1	10	602.588	0.000153	Thiophenic compounds
2077	50	66	0	0	1	18	698.588	3.7e-05	Thiophenic compounds
2078	52	66	0	0	1	20	722.588	3.7e-05	Thiophenic compounds
2079	34	68	0	0	1	1	508.604	2.1e-05	Thiophenic compounds
2080	35	68	0	0	1	2	520.604	5.3e-05	Thiophenic compounds
2081	36	68	0	0	1	3	532.604	0.000145	Thiophenic compounds
2082	38	68	0	0	1	5	556.604	0.000134	Thiophenic compounds
2083	39	68	0	0	1	6	568.604	0.000375	Thiophenic compounds
2084	40	68	0	0	1	7	580.604	0.000565	Thiophenic compounds
2085	41	68	0	0	1	8	592.604	0.000281	Thiophenic compounds
2086	42	68	0	0	1	9	604.604	0.000453	Thiophenic compounds
2087	36	70	0	0	1	2	534.62	2.8e-05	Thiophenic compounds
2088	37	70	0	0	1	3	546.62	2.8e-05	Thiophenic compounds
2089	38	70	0	0	1	4	558.62	3.4e-05	Thiophenic compounds
2090	39	70	0	0	1	5	570.62	3.6e-05	Thiophenic compounds
2091	40	70	0	0	1	6	582.62	0.000459	Thiophenic compounds
2092	41	70	0	0	1	7	594.62	0.00017	Thiophenic compounds
2093	42	70	0	0	1	8	606.62	0.000148	Thiophenic compounds
2094	44	70	0	0	1	10	630.62	3.3e-05	Thiophenic compounds
2095	51	70	0	0	1	17	714.62	4.1e-05	Thiophenic compounds
2096	53	70	0	0	1	19	738.62	9.5e-05	Thiophenic compounds
2097	55	70	0	0	1	21	762.62	3.6e-05	Thiophenic compounds
2098	36	72	0	0	1	1	536.636	3.4e-05	Thiophenic compounds
2099	39	72	0	0	1	4	572.636	9e-05	Thiophenic compounds
2100	40	72	0	0	1	5	584.636	0.000127	Thiophenic compounds
2101	41	72	0	0	1	6	596.636	0.000182	Thiophenic compounds
2102	42	72	0	0	1	7	608.636	6.4e-05	Thiophenic compounds
2103	44	72	0	0	1	9	632.636	0.000135	Thiophenic compounds
2104	48	72	0	0	1	13	680.636	6.2e-05	Thiophenic compounds
2105	54	72	0	0	1	19	752.636	6e-05	Thiophenic compounds
2106	38	74	0	0	1	2	562.652	5e-05	Thiophenic compounds
2107	39	74	0	0	1	3	574.652	3e-05	Thiophenic compounds
2108	40	74	0	0	1	4	586.652	4.5e-05	Thiophenic compounds
2109	41	74	0	0	1	5	598.652	3e-05	Thiophenic compounds
2110	42	74	0	0	1	6	610.652	9.4e-05	Thiophenic compounds
2111	43	74	0	0	1	7	622.652	7.2e-05	Thiophenic compounds
2112	38	76	0	0	1	1	564.668	7e-05	Thiophenic compounds
2113	39	76	0	0	1	2	576.668	4e-05	Thiophenic compounds
2114	40	76	0	0	1	3	588.668	0.00011	Thiophenic compounds
2115	46	76	0	0	1	9	660.668	6.3e-05	Thiophenic compounds
2116	55	76	0	0	1	18	768.668	3.7e-05	Thiophenic compounds
2117	38	78	0	0	1	0	566.684	3.3e-05	Thiophenic compounds
2118	40	78	0	0	1	2	590.684	7.9e-05	Thiophenic compounds
2119	51	78	0	0	1	13	722.684	3.2e-05	Thiophenic compounds
2120	55	78	0	0	1	17	770.684	3.6e-05	Thiophenic compounds
2121	44	80	0	0	1	5	640.7	4.8e-05	Thiophenic compounds
2122	43	82	0	0	1	3	630.716	2.9e-05	Thiophenic compounds
2123	45	82	0	0	1	5	654.716	5.7e-05	Thiophenic compounds
2124	45	84	0	0	1	4	656.732	3.7e-05	Thiophenic compounds
2125	44	88	0	0	1	1	648.764	3.4e-05	Thiophenic compounds
2126	53	88	0	0	1	10	756.764	4e-05	Thiophenic compounds
2127	18	16	3	0	0	11	280.128	0.0002	Acidic fraction
2128	17	16	1	0	0	10	236.128	0.000145	Acidic fraction
2129	20	16	3	0	0	13	304.128	0.000177	Acidic fraction
2130	18	16	1	0	0	11	248.128	0.000276	Acidic fraction
2131	21	16	3	0	0	14	316.128	0.000212	Acidic fraction
2132	19	16	1	0	0	12	260.128	0.000499	Acidic fraction
2133	22	16	3	0	0	15	328.128	0.000232	Acidic fraction
2134	20	16	1	0	0	13	272.128	0.000626	Acidic fraction
2135	19	16	2	0	0	12	276.128	0.000518	Acidic fraction
2136	21	16	1	0	0	14	284.128	0.00052	Acidic fraction
2137	20	16	2	0	0	13	288.128	0.000412	Acidic fraction
2138	22	16	1	0	0	15	296.128	0.000534	Acidic fraction
2139	21	16	2	0	0	14	300.128	0.000591	Acidic fraction
2140	23	16	1	0	0	16	308.128	0.0003	Acidic fraction
2141	22	16	2	0	0	15	312.128	0.000374	Acidic fraction
2142	23	16	2	0	0	16	324.128	0.000381	Acidic fraction
2143	18	18	3	0	0	10	282.144	0.000163	Acidic fraction
2144	19	18	3	0	0	11	294.144	0.000267	Acidic fraction
2145	20	18	3	0	0	12	306.144	0.000204	Acidic fraction
2146	18	18	1	0	0	10	250.144	0.00024	Acidic fraction
2147	21	18	3	0	0	13	318.144	0.000233	Acidic fraction
2148	19	18	1	0	0	11	262.144	0.000496	Acidic fraction
2149	22	18	3	0	0	14	330.144	0.000584	Acidic fraction
2150	20	18	1	0	0	12	274.144	0.001305	Acidic fraction
2151	23	18	3	0	0	15	342.144	0.000207	Acidic fraction
2152	19	18	2	0	0	11	278.144	0.000213	Acidic fraction
2153	21	18	1	0	0	13	286.144	0.001204	Acidic fraction
2154	20	18	2	0	0	12	290.144	0.000905	Acidic fraction
2155	22	18	1	0	0	14	298.144	0.001242	Acidic fraction
2156	21	18	2	0	0	13	302.144	0.001465	Acidic fraction
2157	23	18	1	0	0	15	310.144	0.000954	Acidic fraction
2158	22	18	2	0	0	14	314.144	0.00116	Acidic fraction
2159	24	18	1	0	0	16	322.144	0.001104	Acidic fraction
2160	23	18	2	0	0	15	326.144	0.000515	Acidic fraction
2161	25	18	1	0	0	17	334.144	0.000275	Acidic fraction
2162	24	18	2	0	0	16	338.144	0.000631	Acidic fraction
2163	19	20	3	0	0	10	296.16	0.000369	Acidic fraction
2164	14	20	2	0	0	5	220.16	0.000114	Acidic fraction
2165	20	20	3	0	0	11	308.16	0.000358	Acidic fraction
2166	18	20	1	0	0	9	252.16	0.000254	Acidic fraction
2167	21	20	3	0	0	12	320.16	0.000515	Acidic fraction
2168	19	20	1	0	0	10	264.16	0.000356	Acidic fraction
2169	22	20	3	0	0	13	332.16	0.000391	Acidic fraction
2170	20	20	1	0	0	11	276.16	0.000876	Acidic fraction
2171	23	20	3	0	0	14	344.16	0.000791	Acidic fraction
2172	21	20	1	0	0	12	288.16	0.002061	Acidic fraction
2173	19	20	2	0	0	10	280.16	0.000517	Acidic fraction
2174	24	20	3	0	0	15	356.16	0.000276	Acidic fraction
2175	20	20	2	0	0	11	292.16	0.000769	Acidic fraction
2176	22	20	1	0	0	13	300.16	0.00283	Acidic fraction
2177	21	20	2	0	0	12	304.16	0.00187	Acidic fraction
2178	23	20	1	0	0	14	312.16	0.003248	Acidic fraction
2179	22	20	2	0	0	13	316.16	0.004103	Acidic fraction
2180	24	20	1	0	0	15	324.16	0.001939	Acidic fraction
2181	23	20	2	0	0	14	328.16	0.002274	Acidic fraction
2182	25	20	1	0	0	16	336.16	0.001654	Acidic fraction
2183	24	20	2	0	0	15	340.16	0.001247	Acidic fraction
2184	26	20	1	0	0	17	348.16	0.000537	Acidic fraction
2185	25	20	2	0	0	16	352.16	0.001278	Acidic fraction
2186	26	20	2	0	0	17	364.16	0.000583	Acidic fraction
2187	14	22	1	0	0	4	206.176	0.000189	Acidic fraction
2188	16	22	1	0	0	6	230.176	0.000135	Acidic fraction
2189	17	22	1	0	0	7	242.176	0.0002	Acidic fraction
2190	20	22	3	0	0	10	310.176	0.00018	Acidic fraction
2191	15	22	2	0	0	5	234.176	0.000197	Acidic fraction
2192	21	22	3	0	0	11	322.176	0.000927	Acidic fraction
2193	19	22	1	0	0	9	266.176	0.000345	Acidic fraction
2194	22	22	3	0	0	12	334.176	0.001284	Acidic fraction
2195	20	22	1	0	0	10	278.176	0.00094	Acidic fraction
2196	23	22	3	0	0	13	346.176	0.000618	Acidic fraction
2197	21	22	1	0	0	11	290.176	0.001571	Acidic fraction
2198	24	22	3	0	0	14	358.176	0.000778	Acidic fraction
2199	19	22	2	0	0	9	282.176	0.000391	Acidic fraction
2200	22	22	1	0	0	12	302.176	0.003668	Acidic fraction
2201	20	22	2	0	0	10	294.176	0.001779	Acidic fraction
2202	25	22	3	0	0	15	370.176	0.000536	Acidic fraction
2203	23	22	1	0	0	13	314.176	0.005833	Acidic fraction
2204	21	22	2	0	0	11	306.176	0.002033	Acidic fraction
2205	22	22	2	0	0	12	318.176	0.003784	Acidic fraction
2206	24	22	1	0	0	14	326.176	0.005454	Acidic fraction
2207	23	22	2	0	0	13	330.176	0.007334	Acidic fraction
2208	25	22	1	0	0	15	338.176	0.002947	Acidic fraction
2209	24	22	2	0	0	14	342.176	0.00373	Acidic fraction
2210	26	22	1	0	0	16	350.176	0.002448	Acidic fraction
2211	25	22	2	0	0	15	354.176	0.00168	Acidic fraction
2212	27	22	1	0	0	17	362.176	0.000868	Acidic fraction
2213	26	22	2	0	0	16	366.176	0.001186	Acidic fraction
2214	27	22	2	0	0	17	378.176	0.000868	Acidic fraction
2215	12	24	2	0	0	1	200.192	0.000245	Acidic fraction
2216	15	24	1	0	0	4	220.192	0.000133	Acidic fraction
2217	17	24	1	0	0	6	244.192	0.000256	Acidic fraction
2218	18	24	1	0	0	7	256.192	0.00032	Acidic fraction
2219	21	24	3	0	0	10	324.192	0.000476	Acidic fraction
2220	16	24	2	0	0	5	248.192	0.000279	Acidic fraction
2221	19	24	1	0	0	8	268.192	0.00032	Acidic fraction
2222	22	24	3	0	0	11	336.192	0.001753	Acidic fraction
2223	20	24	1	0	0	9	280.192	0.000738	Acidic fraction
2224	23	24	3	0	0	12	348.192	0.001937	Acidic fraction
2225	18	24	2	0	0	7	272.192	0.000293	Acidic fraction
2226	21	24	1	0	0	10	292.192	0.001756	Acidic fraction
2227	19	24	2	0	0	8	284.192	0.000495	Acidic fraction
2228	24	24	3	0	0	13	360.192	0.000933	Acidic fraction
2229	22	24	1	0	0	11	304.192	0.004453	Acidic fraction
2230	25	24	3	0	0	14	372.192	0.000852	Acidic fraction
2231	20	24	2	0	0	9	296.192	0.000959	Acidic fraction
2232	23	24	1	0	0	12	316.192	0.007404	Acidic fraction
2233	21	24	2	0	0	10	308.192	0.003651	Acidic fraction
2234	26	24	3	0	0	15	384.192	0.000435	Acidic fraction
2235	24	24	1	0	0	13	328.192	0.008713	Acidic fraction
2236	22	24	2	0	0	11	320.192	0.00549	Acidic fraction
2237	23	24	2	0	0	12	332.192	0.006828	Acidic fraction
2238	25	24	1	0	0	14	340.192	0.007583	Acidic fraction
2239	24	24	2	0	0	13	344.192	0.009016	Acidic fraction
2240	26	24	1	0	0	15	352.192	0.003686	Acidic fraction
2241	25	24	2	0	0	14	356.192	0.004925	Acidic fraction
2242	27	24	1	0	0	16	364.192	0.002696	Acidic fraction
2243	26	24	2	0	0	15	368.192	0.001908	Acidic fraction
2244	28	24	1	0	0	17	376.192	0.000818	Acidic fraction
2245	29	24	1	0	0	18	388.192	0.000324	Acidic fraction
2246	27	24	2	0	0	16	380.192	0.000937	Acidic fraction
2247	28	24	2	0	0	17	392.192	0.001023	Acidic fraction
2248	13	26	2	0	0	1	214.208	0.000126	Acidic fraction
2249	16	26	1	0	0	4	234.208	0.000142	Acidic fraction
2250	15	26	2	0	0	3	238.208	0.00027	Acidic fraction
2251	18	26	1	0	0	6	258.208	0.000386	Acidic fraction
2252	16	26	2	0	0	4	250.208	0.000342	Acidic fraction
2253	19	26	1	0	0	7	270.208	0.00044	Acidic fraction
2254	22	26	3	0	0	10	338.208	0.000536	Acidic fraction
2255	17	26	2	0	0	5	262.208	0.000263	Acidic fraction
2256	20	26	1	0	0	8	282.208	0.000575	Acidic fraction
2257	23	26	3	0	0	11	350.208	0.002438	Acidic fraction
2258	18	26	2	0	0	6	274.208	0.000481	Acidic fraction
2259	21	26	1	0	0	9	294.208	0.001351	Acidic fraction
2260	24	26	3	0	0	12	362.208	0.002279	Acidic fraction
2261	19	26	2	0	0	7	286.208	0.000698	Acidic fraction
2262	22	26	1	0	0	10	306.208	0.003267	Acidic fraction
2263	20	26	2	0	0	8	298.208	0.001299	Acidic fraction
2264	25	26	3	0	0	13	374.208	0.000836	Acidic fraction
2265	23	26	1	0	0	11	318.208	0.006958	Acidic fraction
2266	21	26	2	0	0	9	310.208	0.001993	Acidic fraction
2267	26	26	3	0	0	14	386.208	0.000968	Acidic fraction
2268	24	26	1	0	0	12	330.208	0.010842	Acidic fraction
2269	22	26	2	0	0	10	322.208	0.007034	Acidic fraction
2270	27	26	3	0	0	15	398.208	0.000367	Acidic fraction
2271	25	26	1	0	0	13	342.208	0.009813	Acidic fraction
2272	23	26	2	0	0	11	334.208	0.011948	Acidic fraction
2273	24	26	2	0	0	12	346.208	0.010346	Acidic fraction
2274	26	26	1	0	0	14	354.208	0.008548	Acidic fraction
2275	25	26	2	0	0	13	358.208	0.010342	Acidic fraction
2276	27	26	1	0	0	15	366.208	0.003895	Acidic fraction
2277	26	26	2	0	0	14	370.208	0.00649	Acidic fraction
2278	28	26	1	0	0	16	378.208	0.002757	Acidic fraction
2279	29	26	1	0	0	17	390.208	0.000985	Acidic fraction
2280	27	26	2	0	0	15	382.208	0.001752	Acidic fraction
2281	30	26	1	0	0	18	402.208	0.000537	Acidic fraction
2282	28	26	2	0	0	16	394.208	0.000997	Acidic fraction
2283	29	26	2	0	0	17	406.208	0.000987	Acidic fraction
2284	14	28	2	0	0	1	228.224	0.001412	Acidic fraction
2285	17	28	1	0	0	4	248.224	0.00016	Acidic fraction
2286	16	28	2	0	0	3	252.224	0.000417	Acidic fraction
2287	19	28	1	0	0	6	272.224	0.000486	Acidic fraction
2288	17	28	2	0	0	4	264.224	0.000729	Acidic fraction
2289	20	28	1	0	0	7	284.224	0.000731	Acidic fraction
2290	23	28	3	0	0	10	352.224	0.000623	Acidic fraction
2291	18	28	2	0	0	5	276.224	0.000956	Acidic fraction
2292	21	28	1	0	0	8	296.224	0.000892	Acidic fraction
2293	24	28	3	0	0	11	364.224	0.003242	Acidic fraction
2294	19	28	2	0	0	6	288.224	0.000689	Acidic fraction
2295	22	28	1	0	0	9	308.224	0.002035	Acidic fraction
2296	25	28	3	0	0	12	376.224	0.002503	Acidic fraction
2297	20	28	2	0	0	7	300.224	0.001395	Acidic fraction
2298	23	28	1	0	0	10	320.224	0.004625	Acidic fraction
2299	21	28	2	0	0	8	312.224	0.00272	Acidic fraction
2300	26	28	3	0	0	13	388.224	0.001068	Acidic fraction
2301	24	28	1	0	0	11	332.224	0.00939	Acidic fraction
2302	22	28	2	0	0	9	324.224	0.00534	Acidic fraction
2303	27	28	3	0	0	14	400.224	0.000772	Acidic fraction
2304	25	28	1	0	0	12	344.224	0.013691	Acidic fraction
2305	23	28	2	0	0	10	336.224	0.010862	Acidic fraction
2306	26	28	1	0	0	13	356.224	0.011366	Acidic fraction
2307	24	28	2	0	0	11	348.224	0.016556	Acidic fraction
2308	25	28	2	0	0	12	360.224	0.011269	Acidic fraction
2309	27	28	1	0	0	14	368.224	0.007908	Acidic fraction
2310	26	28	2	0	0	13	372.224	0.009804	Acidic fraction
2311	28	28	1	0	0	15	380.224	0.004093	Acidic fraction
2312	27	28	2	0	0	14	384.224	0.006293	Acidic fraction
2313	29	28	1	0	0	16	392.224	0.002158	Acidic fraction
2314	30	28	1	0	0	17	404.224	0.000994	Acidic fraction
2315	28	28	2	0	0	15	396.224	0.002191	Acidic fraction
2316	29	28	2	0	0	16	408.224	0.000877	Acidic fraction
2317	31	28	1	0	0	18	416.224	0.000447	Acidic fraction
2318	30	28	2	0	0	17	420.224	0.000873	Acidic fraction
2319	15	30	2	0	0	1	242.24	0.001084	Acidic fraction
2320	18	30	1	0	0	4	262.24	0.000205	Acidic fraction
2321	16	30	2	0	0	2	254.24	0.000446	Acidic fraction
2322	19	30	1	0	0	5	274.24	0.000356	Acidic fraction
2323	17	30	2	0	0	3	266.24	0.000685	Acidic fraction
2324	20	30	1	0	0	6	286.24	0.000546	Acidic fraction
2325	18	30	2	0	0	4	278.24	0.001282	Acidic fraction
2326	21	30	1	0	0	7	298.24	0.001128	Acidic fraction
2327	24	30	3	0	0	10	366.24	0.000978	Acidic fraction
2328	19	30	2	0	0	5	290.24	0.001865	Acidic fraction
2329	22	30	1	0	0	8	310.24	0.001718	Acidic fraction
2330	25	30	3	0	0	11	378.24	0.003051	Acidic fraction
2331	20	30	2	0	0	6	302.24	0.002059	Acidic fraction
2332	23	30	1	0	0	9	322.24	0.003295	Acidic fraction
2333	26	30	3	0	0	12	390.24	0.002336	Acidic fraction
2334	21	30	2	0	0	7	314.24	0.003036	Acidic fraction
2335	24	30	1	0	0	10	334.24	0.007807	Acidic fraction
2336	22	30	2	0	0	8	326.24	0.005219	Acidic fraction
2337	27	30	3	0	0	13	402.24	0.000925	Acidic fraction
2338	25	30	1	0	0	11	346.24	0.011271	Acidic fraction
2339	23	30	2	0	0	9	338.24	0.00838	Acidic fraction
2340	28	30	3	0	0	14	414.24	0.00058	Acidic fraction
2341	26	30	1	0	0	12	358.24	0.017164	Acidic fraction
2342	24	30	2	0	0	10	350.24	0.015094	Acidic fraction
2343	27	30	1	0	0	13	370.24	0.012654	Acidic fraction
2344	25	30	2	0	0	11	362.24	0.017816	Acidic fraction
2345	26	30	2	0	0	12	374.24	0.01099	Acidic fraction
2346	28	30	1	0	0	14	382.24	0.007627	Acidic fraction
2347	27	30	2	0	0	13	386.24	0.008462	Acidic fraction
2348	29	30	1	0	0	15	394.24	0.003905	Acidic fraction
2349	28	30	2	0	0	14	398.24	0.005123	Acidic fraction
2350	30	30	1	0	0	16	406.24	0.002408	Acidic fraction
2351	31	30	1	0	0	17	418.24	0.000869	Acidic fraction
2352	29	30	2	0	0	15	410.24	0.002206	Acidic fraction
2353	30	30	2	0	0	16	422.24	0.000819	Acidic fraction
2354	32	30	1	0	0	18	430.24	0.000506	Acidic fraction
2355	31	30	2	0	0	17	434.24	0.00078	Acidic fraction
2356	16	32	2	0	0	1	256.256	0.026364	Acidic fraction
2357	19	32	1	0	0	4	276.256	0.000206	Acidic fraction
2358	17	32	2	0	0	2	268.256	0.000371	Acidic fraction
2359	20	32	1	0	0	5	288.256	0.000517	Acidic fraction
2360	18	32	2	0	0	3	280.256	0.001227	Acidic fraction
2361	21	32	1	0	0	6	300.256	0.001067	Acidic fraction
2362	19	32	2	0	0	4	292.256	0.002334	Acidic fraction
2363	22	32	1	0	0	7	312.256	0.001821	Acidic fraction
2364	25	32	3	0	0	10	380.256	0.000928	Acidic fraction
2365	20	32	2	0	0	5	304.256	0.003942	Acidic fraction
2366	23	32	1	0	0	8	324.256	0.002982	Acidic fraction
2367	26	32	3	0	0	11	392.256	0.002192	Acidic fraction
2368	21	32	2	0	0	6	316.256	0.003834	Acidic fraction
2369	24	32	1	0	0	9	336.256	0.005216	Acidic fraction
2370	27	32	3	0	0	12	404.256	0.001568	Acidic fraction
2371	22	32	2	0	0	7	328.256	0.005196	Acidic fraction
2372	25	32	1	0	0	10	348.256	0.010369	Acidic fraction
2373	23	32	2	0	0	8	340.256	0.009078	Acidic fraction
2374	28	32	3	0	0	13	416.256	0.000933	Acidic fraction
2375	26	32	1	0	0	11	360.256	0.012385	Acidic fraction
2376	24	32	2	0	0	9	352.256	0.012521	Acidic fraction
2377	29	32	3	0	0	14	428.256	0.000394	Acidic fraction
2378	27	32	1	0	0	12	372.256	0.013861	Acidic fraction
2379	25	32	2	0	0	10	364.256	0.019943	Acidic fraction
2380	28	32	1	0	0	13	384.256	0.01046	Acidic fraction
2381	26	32	2	0	0	11	376.256	0.018885	Acidic fraction
2382	27	32	2	0	0	12	388.256	0.010289	Acidic fraction
2383	29	32	1	0	0	14	396.256	0.007255	Acidic fraction
2384	28	32	2	0	0	13	400.256	0.007002	Acidic fraction
2385	30	32	1	0	0	15	408.256	0.003576	Acidic fraction
2386	29	32	2	0	0	14	412.256	0.004406	Acidic fraction
2387	31	32	1	0	0	16	420.256	0.001843	Acidic fraction
2388	32	32	1	0	0	17	432.256	0.001041	Acidic fraction
2389	30	32	2	0	0	15	424.256	0.001903	Acidic fraction
2390	31	32	2	0	0	16	436.256	0.001037	Acidic fraction
2391	33	32	1	0	0	18	444.256	0.000571	Acidic fraction
2392	32	32	2	0	0	17	448.256	0.000545	Acidic fraction
2393	17	34	2	0	0	1	270.272	0.000907	Acidic fraction
2394	20	34	1	0	0	4	290.272	0.000267	Acidic fraction
2395	18	34	2	0	0	2	282.272	0.001561	Acidic fraction
2396	21	34	1	0	0	5	302.272	0.000774	Acidic fraction
2397	19	34	2	0	0	3	294.272	0.001476	Acidic fraction
2398	22	34	1	0	0	6	314.272	0.001526	Acidic fraction
2399	20	34	2	0	0	4	306.272	0.004554	Acidic fraction
2400	23	34	1	0	0	7	326.272	0.002997	Acidic fraction
2401	26	34	3	0	0	10	394.272	0.001138	Acidic fraction
2402	21	34	2	0	0	5	318.272	0.006541	Acidic fraction
2403	24	34	1	0	0	8	338.272	0.004616	Acidic fraction
2404	27	34	3	0	0	11	406.272	0.002227	Acidic fraction
2405	22	34	2	0	0	6	330.272	0.006437	Acidic fraction
2406	25	34	1	0	0	9	350.272	0.007434	Acidic fraction
2407	28	34	3	0	0	12	418.272	0.001439	Acidic fraction
2408	23	34	2	0	0	7	342.272	0.007929	Acidic fraction
2409	26	34	1	0	0	10	362.272	0.011174	Acidic fraction
2410	24	34	2	0	0	8	354.272	0.012501	Acidic fraction
2411	29	34	3	0	0	13	430.272	0.000397	Acidic fraction
2412	27	34	1	0	0	11	374.272	0.014234	Acidic fraction
2413	25	34	2	0	0	9	366.272	0.015434	Acidic fraction
2414	30	34	3	0	0	14	442.272	0.000561	Acidic fraction
2415	28	34	1	0	0	12	386.272	0.014904	Acidic fraction
2416	26	34	2	0	0	10	378.272	0.01891	Acidic fraction
2417	29	34	1	0	0	13	398.272	0.010686	Acidic fraction
2418	27	34	2	0	0	11	390.272	0.016142	Acidic fraction
2419	28	34	2	0	0	12	402.272	0.00906	Acidic fraction
2420	30	34	1	0	0	14	410.272	0.00466	Acidic fraction
2421	29	34	2	0	0	13	414.272	0.005192	Acidic fraction
2422	31	34	1	0	0	15	422.272	0.003606	Acidic fraction
2423	30	34	2	0	0	14	426.272	0.003735	Acidic fraction
2424	32	34	1	0	0	16	434.272	0.001565	Acidic fraction
2425	33	34	1	0	0	17	446.272	0.001036	Acidic fraction
2426	31	34	2	0	0	15	438.272	0.00207	Acidic fraction
2427	32	34	2	0	0	16	450.272	0.000914	Acidic fraction
2428	34	34	1	0	0	18	458.272	0.000371	Acidic fraction
2429	33	34	2	0	0	17	462.272	0.00047	Acidic fraction
2430	18	36	2	0	0	1	284.288	0.017855	Acidic fraction
2431	21	36	1	0	0	4	304.288	0.000395	Acidic fraction
2432	19	36	2	0	0	2	296.288	0.000531	Acidic fraction
2433	22	36	1	0	0	5	316.288	0.001109	Acidic fraction
2434	20	36	2	0	0	3	308.288	0.002986	Acidic fraction
2435	23	36	1	0	0	6	328.288	0.002444	Acidic fraction
2436	21	36	2	0	0	4	320.288	0.007654	Acidic fraction
2437	24	36	1	0	0	7	340.288	0.004789	Acidic fraction
2438	27	36	3	0	0	10	408.288	0.001077	Acidic fraction
2439	22	36	2	0	0	5	332.288	0.010472	Acidic fraction
2440	25	36	1	0	0	8	352.288	0.007019	Acidic fraction
2441	28	36	3	0	0	11	420.288	0.001511	Acidic fraction
2442	23	36	2	0	0	6	344.288	0.009983	Acidic fraction
2443	26	36	1	0	0	9	364.288	0.010897	Acidic fraction
2444	29	36	3	0	0	12	432.288	0.000805	Acidic fraction
2445	24	36	2	0	0	7	356.288	0.011644	Acidic fraction
2446	27	36	1	0	0	10	376.288	0.014372	Acidic fraction
2447	25	36	2	0	0	8	368.288	0.01599	Acidic fraction
2448	30	36	3	0	0	13	444.288	0.000616	Acidic fraction
2449	28	36	1	0	0	11	388.288	0.015193	Acidic fraction
2450	26	36	2	0	0	9	380.288	0.017211	Acidic fraction
2451	31	36	3	0	0	14	456.288	0.000356	Acidic fraction
2452	29	36	1	0	0	12	400.288	0.014183	Acidic fraction
2453	27	36	2	0	0	10	392.288	0.016579	Acidic fraction
2454	30	36	1	0	0	13	412.288	0.008041	Acidic fraction
2455	28	36	2	0	0	11	404.288	0.013565	Acidic fraction
2456	29	36	2	0	0	12	416.288	0.007118	Acidic fraction
2457	31	36	1	0	0	14	424.288	0.005691	Acidic fraction
2458	30	36	2	0	0	13	428.288	0.004555	Acidic fraction
2459	32	36	1	0	0	15	436.288	0.003152	Acidic fraction
2460	31	36	2	0	0	14	440.288	0.003539	Acidic fraction
2461	33	36	1	0	0	16	448.288	0.001751	Acidic fraction
2462	34	36	1	0	0	17	460.288	0.000661	Acidic fraction
2463	32	36	2	0	0	15	452.288	0.001633	Acidic fraction
2464	33	36	2	0	0	16	464.288	0.000699	Acidic fraction
2465	35	36	1	0	0	18	472.288	0.000389	Acidic fraction
2466	20	38	1	0	0	2	294.304	0.000213	Acidic fraction
2467	19	38	2	0	0	1	298.304	0.000214	Acidic fraction
2468	22	38	1	0	0	4	318.304	0.000558	Acidic fraction
2469	20	38	2	0	0	2	310.304	0.000773	Acidic fraction
2470	23	38	1	0	0	5	330.304	0.001511	Acidic fraction
2471	21	38	2	0	0	3	322.304	0.004338	Acidic fraction
2472	24	38	1	0	0	6	342.304	0.003619	Acidic fraction
2473	22	38	2	0	0	4	334.304	0.011026	Acidic fraction
2474	25	38	1	0	0	7	354.304	0.006244	Acidic fraction
2475	28	38	3	0	0	10	422.304	0.001022	Acidic fraction
2476	23	38	2	0	0	5	346.304	0.016947	Acidic fraction
2477	26	38	1	0	0	8	366.304	0.008866	Acidic fraction
2478	29	38	3	0	0	11	434.304	0.001451	Acidic fraction
2479	24	38	2	0	0	6	358.304	0.013815	Acidic fraction
2480	27	38	1	0	0	9	378.304	0.013246	Acidic fraction
2481	25	38	2	0	0	7	370.304	0.017718	Acidic fraction
2482	30	38	3	0	0	12	446.304	0.001152	Acidic fraction
2483	28	38	1	0	0	10	390.304	0.013939	Acidic fraction
2484	26	38	2	0	0	8	382.304	0.017946	Acidic fraction
2485	31	38	3	0	0	13	458.304	0.000569	Acidic fraction
2486	29	38	1	0	0	11	402.304	0.016072	Acidic fraction
2487	27	38	2	0	0	9	394.304	0.020623	Acidic fraction
2488	30	38	1	0	0	12	414.304	0.011631	Acidic fraction
2489	28	38	2	0	0	10	406.304	0.01623	Acidic fraction
2490	31	38	1	0	0	13	426.304	0.008018	Acidic fraction
2491	29	38	2	0	0	11	418.304	0.010832	Acidic fraction
2492	30	38	2	0	0	12	430.304	0.005623	Acidic fraction
2493	32	38	1	0	0	14	438.304	0.004976	Acidic fraction
2494	33	38	1	0	0	15	450.304	0.003139	Acidic fraction
2495	31	38	2	0	0	13	442.304	0.004659	Acidic fraction
2496	32	38	2	0	0	14	454.304	0.00259	Acidic fraction
2497	34	38	1	0	0	16	462.304	0.001931	Acidic fraction
2498	35	38	1	0	0	17	474.304	0.000442	Acidic fraction
2499	33	38	2	0	0	15	466.304	0.00112	Acidic fraction
2500	34	38	2	0	0	16	478.304	0.000354	Acidic fraction
2501	21	40	1	0	0	2	308.32	0.000199	Acidic fraction
2502	20	40	2	0	0	1	312.32	0.000593	Acidic fraction
2503	23	40	1	0	0	4	332.32	0.000602	Acidic fraction
2504	21	40	2	0	0	2	324.32	0.001187	Acidic fraction
2505	24	40	1	0	0	5	344.32	0.002126	Acidic fraction
2506	22	40	2	0	0	3	336.32	0.007012	Acidic fraction
2507	25	40	1	0	0	6	356.32	0.005072	Acidic fraction
2508	23	40	2	0	0	4	348.32	0.015412	Acidic fraction
2509	26	40	1	0	0	7	368.32	0.009219	Acidic fraction
2510	29	40	3	0	0	10	436.32	0.000905	Acidic fraction
2511	24	40	2	0	0	5	360.32	0.025511	Acidic fraction
2512	27	40	1	0	0	8	380.32	0.011609	Acidic fraction
2513	30	40	3	0	0	11	448.32	0.001374	Acidic fraction
2514	25	40	2	0	0	6	372.32	0.017964	Acidic fraction
2515	28	40	1	0	0	9	392.32	0.015611	Acidic fraction
2516	26	40	2	0	0	7	384.32	0.021527	Acidic fraction
2517	31	40	3	0	0	12	460.32	0.000898	Acidic fraction
2518	29	40	1	0	0	10	404.32	0.016295	Acidic fraction
2519	27	40	2	0	0	8	396.32	0.022413	Acidic fraction
2520	32	40	3	0	0	13	472.32	0.000608	Acidic fraction
2521	30	40	1	0	0	11	416.32	0.013871	Acidic fraction
2522	28	40	2	0	0	9	408.32	0.019197	Acidic fraction
2523	31	40	1	0	0	12	428.32	0.010108	Acidic fraction
2524	29	40	2	0	0	10	420.32	0.013441	Acidic fraction
2525	30	40	2	0	0	11	432.32	0.00855	Acidic fraction
2526	32	40	1	0	0	13	440.32	0.008009	Acidic fraction
2527	31	40	2	0	0	12	444.32	0.006164	Acidic fraction
2528	33	40	1	0	0	14	452.32	0.004595	Acidic fraction
2529	34	40	1	0	0	15	464.32	0.002354	Acidic fraction
2530	32	40	2	0	0	13	456.32	0.003751	Acidic fraction
2531	33	40	2	0	0	14	468.32	0.002074	Acidic fraction
2532	35	40	1	0	0	16	476.32	0.000771	Acidic fraction
2533	34	40	2	0	0	15	480.32	0.000654	Acidic fraction
2534	36	40	1	0	0	17	488.32	0.000413	Acidic fraction
2535	22	42	1	0	0	2	322.336	0.00022	Acidic fraction
2536	21	42	2	0	0	1	326.336	0.000324	Acidic fraction
2537	24	42	1	0	0	4	346.336	0.00093	Acidic fraction
2538	22	42	2	0	0	2	338.336	0.001675	Acidic fraction
2539	25	42	1	0	0	5	358.336	0.003317	Acidic fraction
2540	23	42	2	0	0	3	350.336	0.008911	Acidic fraction
2541	26	42	1	0	0	6	370.336	0.007393	Acidic fraction
2542	24	42	2	0	0	4	362.336	0.022591	Acidic fraction
2543	27	42	1	0	0	7	382.336	0.010292	Acidic fraction
2544	25	42	2	0	0	5	374.336	0.031413	Acidic fraction
2545	28	42	1	0	0	8	394.336	0.015339	Acidic fraction
2546	31	42	3	0	0	11	462.336	0.000944	Acidic fraction
2547	26	42	2	0	0	6	386.336	0.026642	Acidic fraction
2548	29	42	1	0	0	9	406.336	0.017241	Acidic fraction
2549	27	42	2	0	0	7	398.336	0.026712	Acidic fraction
2550	32	42	3	0	0	12	474.336	0.000467	Acidic fraction
2551	30	42	1	0	0	10	418.336	0.015305	Acidic fraction
2552	28	42	2	0	0	8	410.336	0.018932	Acidic fraction
2553	31	42	1	0	0	11	430.336	0.013178	Acidic fraction
2554	29	42	2	0	0	9	422.336	0.018035	Acidic fraction
2555	32	42	1	0	0	12	442.336	0.012036	Acidic fraction
2556	30	42	2	0	0	10	434.336	0.011433	Acidic fraction
2557	31	42	2	0	0	11	446.336	0.009172	Acidic fraction
2558	33	42	1	0	0	13	454.336	0.005959	Acidic fraction
2559	32	42	2	0	0	12	458.336	0.004594	Acidic fraction
2560	34	42	1	0	0	14	466.336	0.002942	Acidic fraction
2561	33	42	2	0	0	13	470.336	0.002933	Acidic fraction
2562	35	42	1	0	0	15	478.336	0.001262	Acidic fraction
2563	34	42	2	0	0	14	482.336	0.001042	Acidic fraction
2564	36	42	1	0	0	16	490.336	0.000751	Acidic fraction
2565	35	42	2	0	0	15	494.336	0.000521	Acidic fraction
2566	37	42	1	0	0	17	502.336	0.000555	Acidic fraction
2567	24	44	1	0	0	3	348.352	0.000266	Acidic fraction
2568	22	44	2	0	0	1	340.352	0.00056	Acidic fraction
2569	25	44	1	0	0	4	360.352	0.001045	Acidic fraction
2570	23	44	2	0	0	2	352.352	0.003301	Acidic fraction
2571	26	44	1	0	0	5	372.352	0.004248	Acidic fraction
2572	24	44	2	0	0	3	364.352	0.015017	Acidic fraction
2573	27	44	1	0	0	6	384.352	0.010725	Acidic fraction
2574	25	44	2	0	0	4	376.352	0.032103	Acidic fraction
2575	28	44	1	0	0	7	396.352	0.01543	Acidic fraction
2576	26	44	2	0	0	5	388.352	0.042047	Acidic fraction
2577	29	44	1	0	0	8	408.352	0.014947	Acidic fraction
2578	27	44	2	0	0	6	400.352	0.034791	Acidic fraction
2579	30	44	1	0	0	9	420.352	0.017981	Acidic fraction
2580	28	44	2	0	0	7	412.352	0.023843	Acidic fraction
2581	33	44	3	0	0	12	488.352	0.000385	Acidic fraction
2582	31	44	1	0	0	10	432.352	0.015793	Acidic fraction
2583	29	44	2	0	0	8	424.352	0.022483	Acidic fraction
2584	32	44	1	0	0	11	444.352	0.016199	Acidic fraction
2585	30	44	2	0	0	9	436.352	0.016394	Acidic fraction
2586	33	44	1	0	0	12	456.352	0.009405	Acidic fraction
2587	31	44	2	0	0	10	448.352	0.01271	Acidic fraction
2588	32	44	2	0	0	11	460.352	0.007103	Acidic fraction
2589	34	44	1	0	0	13	468.352	0.005101	Acidic fraction
2590	33	44	2	0	0	12	472.352	0.002888	Acidic fraction
2591	35	44	1	0	0	14	480.352	0.001705	Acidic fraction
2592	34	44	2	0	0	13	484.352	0.001216	Acidic fraction
2593	36	44	1	0	0	15	492.352	0.000728	Acidic fraction
2594	35	44	2	0	0	14	496.352	0.000816	Acidic fraction
2595	37	44	1	0	0	16	504.352	0.000739	Acidic fraction
2596	36	44	2	0	0	15	508.352	0.000357	Acidic fraction
2597	23	46	2	0	0	1	354.368	0.000661	Acidic fraction
2598	25	46	1	0	0	3	362.368	0.000271	Acidic fraction
2599	26	46	1	0	0	4	374.368	0.001807	Acidic fraction
2600	24	46	2	0	0	2	366.368	0.004914	Acidic fraction
2601	27	46	1	0	0	5	386.368	0.007327	Acidic fraction
2602	25	46	2	0	0	3	378.368	0.020672	Acidic fraction
2603	28	46	1	0	0	6	398.368	0.014379	Acidic fraction
2604	26	46	2	0	0	4	390.368	0.034108	Acidic fraction
2605	29	46	1	0	0	7	410.368	0.014496	Acidic fraction
2606	27	46	2	0	0	5	402.368	0.049213	Acidic fraction
2607	30	46	1	0	0	8	422.368	0.018741	Acidic fraction
2608	28	46	2	0	0	6	414.368	0.033038	Acidic fraction
2609	31	46	1	0	0	9	434.368	0.01706	Acidic fraction
2610	29	46	2	0	0	7	426.368	0.028437	Acidic fraction
2611	32	46	1	0	0	10	446.368	0.020402	Acidic fraction
2612	30	46	2	0	0	8	438.368	0.024293	Acidic fraction
2613	33	46	1	0	0	11	458.368	0.012989	Acidic fraction
2614	31	46	2	0	0	9	450.368	0.01722	Acidic fraction
2615	34	46	1	0	0	12	470.368	0.006356	Acidic fraction
2616	32	46	2	0	0	10	462.368	0.009349	Acidic fraction
2617	33	46	2	0	0	11	474.368	0.003493	Acidic fraction
2618	35	46	1	0	0	13	482.368	0.002848	Acidic fraction
2619	34	46	2	0	0	12	486.368	0.001786	Acidic fraction
2620	36	46	1	0	0	14	494.368	0.001285	Acidic fraction
2621	35	46	2	0	0	13	498.368	0.001341	Acidic fraction
2622	37	46	1	0	0	15	506.368	0.000533	Acidic fraction
2623	36	46	2	0	0	14	510.368	0.000734	Acidic fraction
2624	38	46	1	0	0	16	518.368	0.000353	Acidic fraction
2625	26	48	1	0	0	3	376.384	0.000267	Acidic fraction
2626	24	48	2	0	0	1	368.384	0.001527	Acidic fraction
2627	27	48	1	0	0	4	388.384	0.00295	Acidic fraction
2628	25	48	2	0	0	2	380.384	0.007021	Acidic fraction
2629	28	48	1	0	0	5	400.384	0.008909	Acidic fraction
2630	26	48	2	0	0	3	392.384	0.028222	Acidic fraction
2631	29	48	1	0	0	6	412.384	0.015918	Acidic fraction
2632	27	48	2	0	0	4	404.384	0.048744	Acidic fraction
2633	30	48	1	0	0	7	424.384	0.020119	Acidic fraction
2634	28	48	2	0	0	5	416.384	0.064328	Acidic fraction
2635	31	48	1	0	0	8	436.384	0.019257	Acidic fraction
2636	29	48	2	0	0	6	428.384	0.058252	Acidic fraction
2637	32	48	1	0	0	9	448.384	0.025236	Acidic fraction
2638	30	48	2	0	0	7	440.384	0.033752	Acidic fraction
2639	33	48	1	0	0	10	460.384	0.016421	Acidic fraction
2640	31	48	2	0	0	8	452.384	0.024	Acidic fraction
2641	34	48	1	0	0	11	472.384	0.008929	Acidic fraction
2642	32	48	2	0	0	9	464.384	0.01257	Acidic fraction
2643	35	48	1	0	0	12	484.384	0.00282	Acidic fraction
2644	33	48	2	0	0	10	476.384	0.004552	Acidic fraction
2645	34	48	2	0	0	11	488.384	0.002894	Acidic fraction
2646	36	48	1	0	0	13	496.384	0.002289	Acidic fraction
2647	35	48	2	0	0	12	500.384	0.001329	Acidic fraction
2648	37	48	1	0	0	14	508.384	0.00114	Acidic fraction
2649	36	48	2	0	0	13	512.384	0.000971	Acidic fraction
2650	38	48	1	0	0	15	520.384	0.000549	Acidic fraction
2651	37	48	2	0	0	14	524.384	0.000433	Acidic fraction
2652	25	50	2	0	0	1	382.4	0.001371	Acidic fraction
2653	28	50	1	0	0	4	402.4	0.003886	Acidic fraction
2654	26	50	2	0	0	2	394.4	0.011221	Acidic fraction
2655	29	50	1	0	0	5	414.4	0.009577	Acidic fraction
2656	27	50	2	0	0	3	406.4	0.035692	Acidic fraction
2657	30	50	1	0	0	6	426.4	0.018066	Acidic fraction
2658	28	50	2	0	0	4	418.4	0.053293	Acidic fraction
2659	31	50	1	0	0	7	438.4	0.022951	Acidic fraction
2660	29	50	2	0	0	5	430.4	0.078269	Acidic fraction
2661	32	50	1	0	0	8	450.4	0.024799	Acidic fraction
2662	30	50	2	0	0	6	442.4	0.089051	Acidic fraction
2663	33	50	1	0	0	9	462.4	0.019483	Acidic fraction
2664	31	50	2	0	0	7	454.4	0.025622	Acidic fraction
2665	34	50	1	0	0	10	474.4	0.009394	Acidic fraction
2666	32	50	2	0	0	8	466.4	0.015088	Acidic fraction
2667	35	50	1	0	0	11	486.4	0.004348	Acidic fraction
2668	33	50	2	0	0	9	478.4	0.006955	Acidic fraction
2669	36	50	1	0	0	12	498.4	0.002824	Acidic fraction
2670	34	50	2	0	0	10	490.4	0.003775	Acidic fraction
2671	35	50	2	0	0	11	502.4	0.002077	Acidic fraction
2672	37	50	1	0	0	13	510.4	0.001979	Acidic fraction
2673	36	50	2	0	0	12	514.4	0.000948	Acidic fraction
2674	38	50	1	0	0	14	522.4	0.000747	Acidic fraction
2675	37	50	2	0	0	13	526.4	0.000453	Acidic fraction
2676	39	50	1	0	0	15	534.4	0.000366	Acidic fraction
2677	26	52	2	0	0	1	396.416	0.001967	Acidic fraction
2678	29	52	1	0	0	4	416.416	0.003622	Acidic fraction
2679	27	52	2	0	0	2	408.416	0.01248	Acidic fraction
2680	30	52	1	0	0	5	428.416	0.011621	Acidic fraction
2681	28	52	2	0	0	3	420.416	0.046261	Acidic fraction
2682	31	52	1	0	0	6	440.416	0.022198	Acidic fraction
2683	29	52	2	0	0	4	432.416	0.061226	Acidic fraction
2684	32	52	1	0	0	7	452.416	0.024325	Acidic fraction
2685	30	52	2	0	0	5	444.416	0.165338	Acidic fraction
2686	33	52	1	0	0	8	464.416	0.01915	Acidic fraction
2687	31	52	2	0	0	6	456.416	0.053601	Acidic fraction
2688	34	52	1	0	0	9	476.416	0.00933	Acidic fraction
2689	32	52	2	0	0	7	468.416	0.022456	Acidic fraction
2690	35	52	1	0	0	10	488.416	0.005846	Acidic fraction
2691	33	52	2	0	0	8	480.416	0.010668	Acidic fraction
2692	36	52	1	0	0	11	500.416	0.003805	Acidic fraction
2693	34	52	2	0	0	9	492.416	0.00471	Acidic fraction
2694	37	52	1	0	0	12	512.416	0.002005	Acidic fraction
2695	35	52	2	0	0	10	504.416	0.003473	Acidic fraction
2696	36	52	2	0	0	11	516.416	0.001748	Acidic fraction
2697	38	52	1	0	0	13	524.416	0.000808	Acidic fraction
2698	37	52	2	0	0	12	528.416	0.000833	Acidic fraction
2699	39	52	1	0	0	14	536.416	0.000631	Acidic fraction
2700	38	52	2	0	0	13	540.416	0.000383	Acidic fraction
2701	27	54	2	0	0	1	410.432	0.001972	Acidic fraction
2702	30	54	1	0	0	4	430.432	0.004498	Acidic fraction
2703	28	54	2	0	0	2	422.432	0.018979	Acidic fraction
2704	31	54	1	0	0	5	442.432	0.016462	Acidic fraction
2705	29	54	2	0	0	3	434.432	0.049337	Acidic fraction
2706	32	54	1	0	0	6	454.432	0.021058	Acidic fraction
2707	30	54	2	0	0	4	446.432	0.114394	Acidic fraction
2708	33	54	1	0	0	7	466.432	0.016498	Acidic fraction
2709	31	54	2	0	0	5	458.432	0.132507	Acidic fraction
2710	34	54	1	0	0	8	478.432	0.010731	Acidic fraction
2711	32	54	2	0	0	6	470.432	0.04207	Acidic fraction
2712	35	54	1	0	0	9	490.432	0.007432	Acidic fraction
2713	33	54	2	0	0	7	482.432	0.01244	Acidic fraction
2714	36	54	1	0	0	10	502.432	0.004972	Acidic fraction
2715	34	54	2	0	0	8	494.432	0.007581	Acidic fraction
2716	37	54	1	0	0	11	514.432	0.002678	Acidic fraction
2717	35	54	2	0	0	9	506.432	0.004554	Acidic fraction
2718	38	54	1	0	0	12	526.432	0.00108	Acidic fraction
2719	36	54	2	0	0	10	518.432	0.002545	Acidic fraction
2720	37	54	2	0	0	11	530.432	0.001348	Acidic fraction
2721	39	54	1	0	0	13	538.432	0.000634	Acidic fraction
2722	38	54	2	0	0	12	542.432	0.000669	Acidic fraction
2723	40	54	1	0	0	14	550.432	0.000537	Acidic fraction
2724	28	56	2	0	0	1	424.448	0.002841	Acidic fraction
2725	31	56	1	0	0	4	444.448	0.006574	Acidic fraction
2726	29	56	2	0	0	2	436.448	0.021445	Acidic fraction
2727	32	56	1	0	0	5	456.448	0.016162	Acidic fraction
2728	30	56	2	0	0	3	448.448	0.096556	Acidic fraction
2729	33	56	1	0	0	6	468.448	0.017964	Acidic fraction
2730	31	56	2	0	0	4	460.448	0.09829	Acidic fraction
2731	34	56	1	0	0	7	480.448	0.011917	Acidic fraction
2732	32	56	2	0	0	5	472.448	0.099853	Acidic fraction
2733	35	56	1	0	0	8	492.448	0.007752	Acidic fraction
2734	33	56	2	0	0	6	484.448	0.020211	Acidic fraction
2735	36	56	1	0	0	9	504.448	0.006216	Acidic fraction
2736	34	56	2	0	0	7	496.448	0.011042	Acidic fraction
2737	37	56	1	0	0	10	516.448	0.00383	Acidic fraction
2738	35	56	2	0	0	8	508.448	0.006745	Acidic fraction
2739	38	56	1	0	0	11	528.448	0.001939	Acidic fraction
2740	36	56	2	0	0	9	520.448	0.003652	Acidic fraction
2741	39	56	1	0	0	12	540.448	0.000805	Acidic fraction
2742	37	56	2	0	0	10	532.448	0.001587	Acidic fraction
2743	38	56	2	0	0	11	544.448	0.000685	Acidic fraction
2744	40	56	1	0	0	13	552.448	0.000425	Acidic fraction
2745	29	58	2	0	0	1	438.464	0.003762	Acidic fraction
2746	32	58	1	0	0	4	458.464	0.007072	Acidic fraction
2747	30	58	2	0	0	2	450.464	0.03256	Acidic fraction
2748	33	58	1	0	0	5	470.464	0.01314	Acidic fraction
2749	31	58	2	0	0	3	462.464	0.084954	Acidic fraction
2750	34	58	1	0	0	6	482.464	0.010924	Acidic fraction
2751	32	58	2	0	0	4	474.464	0.053242	Acidic fraction
2752	35	58	1	0	0	7	494.464	0.008348	Acidic fraction
2753	33	58	2	0	0	5	486.464	0.034989	Acidic fraction
2754	36	58	1	0	0	8	506.464	0.007104	Acidic fraction
2755	34	58	2	0	0	6	498.464	0.016757	Acidic fraction
2756	37	58	1	0	0	9	518.464	0.004099	Acidic fraction
2757	35	58	2	0	0	7	510.464	0.009911	Acidic fraction
2758	38	58	1	0	0	10	530.464	0.001866	Acidic fraction
2759	36	58	2	0	0	8	522.464	0.004861	Acidic fraction
2760	39	58	1	0	0	11	542.464	0.001185	Acidic fraction
2761	37	58	2	0	0	9	534.464	0.002234	Acidic fraction
2762	38	58	2	0	0	10	546.464	0.001094	Acidic fraction
2763	40	58	1	0	0	12	554.464	0.000393	Acidic fraction
2764	39	58	2	0	0	11	558.464	0.000636	Acidic fraction
2765	30	60	2	0	0	1	452.48	0.004893	Acidic fraction
2766	33	60	1	0	0	4	472.48	0.005452	Acidic fraction
2767	31	60	2	0	0	2	464.48	0.029018	Acidic fraction
2768	34	60	1	0	0	5	484.48	0.008049	Acidic fraction
2769	32	60	2	0	0	3	476.48	0.034547	Acidic fraction
2770	35	60	1	0	0	6	496.48	0.009787	Acidic fraction
2771	33	60	2	0	0	4	488.48	0.033251	Acidic fraction
2772	36	60	1	0	0	7	508.48	0.006904	Acidic fraction
2773	34	60	2	0	0	5	500.48	0.027454	Acidic fraction
2774	37	60	1	0	0	8	520.48	0.005011	Acidic fraction
2775	35	60	2	0	0	6	512.48	0.012944	Acidic fraction
2776	38	60	1	0	0	9	532.48	0.002704	Acidic fraction
2777	36	60	2	0	0	7	524.48	0.005342	Acidic fraction
2778	39	60	1	0	0	10	544.48	0.001155	Acidic fraction
2779	37	60	2	0	0	8	536.48	0.002997	Acidic fraction
2780	40	60	1	0	0	11	556.48	0.000695	Acidic fraction
2781	38	60	2	0	0	9	548.48	0.001612	Acidic fraction
2782	39	60	2	0	0	10	560.48	0.000762	Acidic fraction
2783	31	62	2	0	0	1	466.496	0.004148	Acidic fraction
2784	34	62	1	0	0	4	486.496	0.003398	Acidic fraction
2785	32	62	2	0	0	2	478.496	0.017747	Acidic fraction
2786	35	62	1	0	0	5	498.496	0.007218	Acidic fraction
2787	33	62	2	0	0	3	490.496	0.032228	Acidic fraction
2788	36	62	1	0	0	6	510.496	0.007383	Acidic fraction
2789	34	62	2	0	0	4	502.496	0.029293	Acidic fraction
2790	37	62	1	0	0	7	522.496	0.005627	Acidic fraction
2791	35	62	2	0	0	5	514.496	0.021638	Acidic fraction
2792	38	62	1	0	0	8	534.496	0.003125	Acidic fraction
2793	36	62	2	0	0	6	526.496	0.008305	Acidic fraction
2794	39	62	1	0	0	9	546.496	0.001259	Acidic fraction
2795	37	62	2	0	0	7	538.496	0.003506	Acidic fraction
2796	40	62	1	0	0	10	558.496	0.001114	Acidic fraction
2797	38	62	2	0	0	8	550.496	0.001749	Acidic fraction
2798	39	62	2	0	0	9	562.496	0.00115	Acidic fraction
2799	32	64	2	0	0	1	480.512	0.003909	Acidic fraction
2800	35	64	1	0	0	4	500.512	0.002973	Acidic fraction
2801	33	64	2	0	0	2	492.512	0.014046	Acidic fraction
2802	36	64	1	0	0	5	512.512	0.005989	Acidic fraction
2803	34	64	2	0	0	3	504.512	0.03354	Acidic fraction
2804	37	64	1	0	0	6	524.512	0.004819	Acidic fraction
2805	35	64	2	0	0	4	516.512	0.023088	Acidic fraction
2806	38	64	1	0	0	7	536.512	0.002423	Acidic fraction
2807	36	64	2	0	0	5	528.512	0.013096	Acidic fraction
2808	39	64	1	0	0	8	548.512	0.002146	Acidic fraction
2809	37	64	2	0	0	6	540.512	0.005592	Acidic fraction
2810	40	64	1	0	0	9	560.512	0.000971	Acidic fraction
2811	38	64	2	0	0	7	552.512	0.002864	Acidic fraction
2812	41	64	1	0	0	10	572.512	0.000549	Acidic fraction
2813	39	64	2	0	0	8	564.512	0.001047	Acidic fraction
2814	40	64	2	0	0	9	576.512	0.000609	Acidic fraction
2815	33	66	2	0	0	1	494.528	0.003153	Acidic fraction
2816	36	66	1	0	0	4	514.528	0.00285	Acidic fraction
2817	34	66	2	0	0	2	506.528	0.013757	Acidic fraction
2818	37	66	1	0	0	5	526.528	0.003524	Acidic fraction
2819	35	66	2	0	0	3	518.528	0.020797	Acidic fraction
2820	38	66	1	0	0	6	538.528	0.003103	Acidic fraction
2821	36	66	2	0	0	4	530.528	0.011019	Acidic fraction
2822	39	66	1	0	0	7	550.528	0.001893	Acidic fraction
2823	37	66	2	0	0	5	542.528	0.006899	Acidic fraction
2824	40	66	1	0	0	8	562.528	0.000743	Acidic fraction
2825	38	66	2	0	0	6	554.528	0.00336	Acidic fraction
2826	39	66	2	0	0	7	566.528	0.001635	Acidic fraction
2827	42	66	1	0	0	10	586.528	0.000481	Acidic fraction
2828	40	66	2	0	0	8	578.528	0.000552	Acidic fraction
2829	41	66	2	0	0	9	590.528	0.0007	Acidic fraction
2830	34	68	2	0	0	1	508.544	0.00403	Acidic fraction
2831	37	68	1	0	0	4	528.544	0.001957	Acidic fraction
2832	35	68	2	0	0	2	520.544	0.011151	Acidic fraction
2833	38	68	1	0	0	5	540.544	0.00222	Acidic fraction
2834	36	68	2	0	0	3	532.544	0.014139	Acidic fraction
2835	39	68	1	0	0	6	552.544	0.001767	Acidic fraction
2836	37	68	2	0	0	4	544.544	0.007693	Acidic fraction
2837	40	68	1	0	0	7	564.544	0.000955	Acidic fraction
2838	38	68	2	0	0	5	556.544	0.00411	Acidic fraction
2839	41	68	1	0	0	8	576.544	0.000677	Acidic fraction
2840	39	68	2	0	0	6	568.544	0.001987	Acidic fraction
2841	40	68	2	0	0	7	580.544	0.0009	Acidic fraction
2842	43	68	1	0	0	10	600.544	0.000471	Acidic fraction
2843	41	68	2	0	0	8	592.544	0.000487	Acidic fraction
2844	35	70	2	0	0	1	522.56	0.003605	Acidic fraction
2845	38	70	1	0	0	4	542.56	0.001476	Acidic fraction
2846	36	70	2	0	0	2	534.56	0.007618	Acidic fraction
2847	39	70	1	0	0	5	554.56	0.001703	Acidic fraction
2848	37	70	2	0	0	3	546.56	0.008814	Acidic fraction
2849	40	70	1	0	0	6	566.56	0.000915	Acidic fraction
2850	38	70	2	0	0	4	558.56	0.004973	Acidic fraction
2851	41	70	1	0	0	7	578.56	0.000413	Acidic fraction
2852	39	70	2	0	0	5	570.56	0.002289	Acidic fraction
2853	40	70	2	0	0	6	582.56	0.00138	Acidic fraction
2854	41	70	2	0	0	7	594.56	0.000559	Acidic fraction
2855	36	72	2	0	0	1	536.576	0.002383	Acidic fraction
2856	39	72	1	0	0	4	556.576	0.00066	Acidic fraction
2857	37	72	2	0	0	2	548.576	0.005664	Acidic fraction
2858	40	72	1	0	0	5	568.576	0.000509	Acidic fraction
2859	38	72	2	0	0	3	560.576	0.004778	Acidic fraction
2860	41	72	1	0	0	6	580.576	0.000517	Acidic fraction
2861	39	72	2	0	0	4	572.576	0.002643	Acidic fraction
2862	42	72	1	0	0	7	592.576	0.000405	Acidic fraction
2863	40	72	2	0	0	5	584.576	0.000889	Acidic fraction
2864	41	72	2	0	0	6	596.576	0.000885	Acidic fraction
2865	37	74	2	0	0	1	550.592	0.001925	Acidic fraction
2866	40	74	1	0	0	4	570.592	0.000494	Acidic fraction
2867	38	74	2	0	0	2	562.592	0.003049	Acidic fraction
2868	41	74	1	0	0	5	582.592	0.0007	Acidic fraction
2869	39	74	2	0	0	3	574.592	0.00297	Acidic fraction
2870	40	74	2	0	0	4	586.592	0.001442	Acidic fraction
2871	41	74	2	0	0	5	598.592	0.000634	Acidic fraction
2872	38	76	2	0	0	1	564.608	0.001312	Acidic fraction
2873	39	76	2	0	0	2	576.608	0.002125	Acidic fraction
2874	40	76	2	0	0	3	588.608	0.00213	Acidic fraction
2875	41	76	2	0	0	4	600.608	0.000996	Acidic fraction
2876	39	78	2	0	0	1	578.624	0.00075	Acidic fraction
2877	40	78	2	0	0	2	590.624	0.001336	Acidic fraction
2878	41	78	2	0	0	3	602.624	0.000684	Acidic fraction
2879	41	80	2	0	0	2	604.64	0.000707	Acidic fraction
2880	42	82	2	0	0	2	618.656	0.000585	Acidic fraction
2881	43	84	2	0	0	2	632.672	0.000436	Acidic fraction