vgo_01_formula

id	C	H	O	N	S	DBE	molecular_weight	mass fraction_wtpct	compound type
1	40	80	0	0	0	1	560.64	0.151886	Saturates
2	39	78	0	0	0	1	546.624	0.238644	Saturates
3	40	78	0	0	0	2	558.624	0.118258	Saturates
4	37	76	0	0	0	0	520.608	0.268699	Saturates
5	38	76	0	0	0	1	532.608	0.33796	Saturates
6	39	76	0	0	0	2	544.608	0.22463	Saturates
7	40	76	0	0	0	3	556.608	0.048278	Saturates
8	41	76	0	0	0	4	568.608	0.011174	Saturates
9	36	74	0	0	0	0	506.592	0.350921	Saturates
10	37	74	0	0	0	1	518.592	0.410821	Saturates
11	38	74	0	0	0	2	530.592	0.341677	Saturates
12	39	74	0	0	0	3	542.592	0.129977	Saturates
13	40	74	0	0	0	4	554.592	0.02757	Saturates
14	35	72	0	0	0	0	492.576	0.549325	Saturates
15	36	72	0	0	0	1	504.576	0.463563	Saturates
16	37	72	0	0	0	2	516.576	0.3755	Saturates
17	38	72	0	0	0	3	528.576	0.302709	Saturates
18	39	72	0	0	0	4	540.576	0.068425	Saturates
19	40	72	0	0	0	5	552.576	0.00935	Saturates
20	34	70	0	0	0	0	478.56	0.411409	Saturates
21	35	70	0	0	0	1	490.56	0.523014	Saturates
22	36	70	0	0	0	2	502.56	0.397996	Saturates
23	37	70	0	0	0	3	514.56	0.311045	Saturates
24	38	70	0	0	0	4	526.56	0.25369	Saturates
25	39	70	0	0	0	5	538.56	0.019819	Saturates
26	40	70	0	0	0	6	550.56	0.001228	Saturates
27	33	68	0	0	0	0	464.544	0.467838	Saturates
28	34	68	0	0	0	1	476.544	0.536543	Saturates
29	35	68	0	0	0	2	488.544	0.511129	Saturates
30	36	68	0	0	0	3	500.544	0.265011	Saturates
31	37	68	0	0	0	4	512.544	0.328182	Saturates
32	38	68	0	0	0	5	524.544	0.045706	Saturates
33	39	68	0	0	0	6	536.544	0.001803	Saturates
34	32	66	0	0	0	0	450.528	0.545518	Saturates
35	33	66	0	0	0	1	462.528	0.527858	Saturates
36	34	66	0	0	0	2	474.528	0.521841	Saturates
37	35	66	0	0	0	3	486.528	0.381177	Saturates
38	36	66	0	0	0	4	498.528	0.244948	Saturates
39	37	66	0	0	0	5	510.528	0.072897	Saturates
40	38	66	0	0	0	6	522.528	0.004243	Saturates
41	31	64	0	0	0	0	436.512	0.436426	Saturates
42	32	64	0	0	0	1	448.512	0.536539	Saturates
43	33	64	0	0	0	2	460.512	0.614721	Saturates
44	34	64	0	0	0	3	472.512	0.329546	Saturates
45	35	64	0	0	0	4	484.512	0.359528	Saturates
46	36	64	0	0	0	5	496.512	0.065907	Saturates
47	37	64	0	0	0	6	508.512	0.005558	Saturates
48	30	62	0	0	0	0	422.496	0.265641	Saturates
49	31	62	0	0	0	1	434.496	0.368671	Saturates
50	32	62	0	0	0	2	446.496	0.605757	Saturates
51	33	62	0	0	0	3	458.496	0.345129	Saturates
52	34	62	0	0	0	4	470.496	0.142316	Saturates
53	35	62	0	0	0	5	482.496	0.089782	Saturates
54	36	62	0	0	0	6	494.496	0.005398	Saturates
55	30	60	0	0	0	1	420.48	0.243591	Saturates
56	31	60	0	0	0	2	432.48	0.464519	Saturates
57	32	60	0	0	0	3	444.48	0.364046	Saturates
58	33	60	0	0	0	4	456.48	0.133043	Saturates
59	34	60	0	0	0	5	468.48	0.063095	Saturates
60	35	60	0	0	0	6	480.48	0.006688	Saturates
61	29	58	0	0	0	1	406.464	0.147905	Saturates
62	30	58	0	0	0	2	418.464	0.344669	Saturates
63	31	58	0	0	0	3	430.464	0.291357	Saturates
64	32	58	0	0	0	4	442.464	0.161791	Saturates
65	33	58	0	0	0	5	454.464	0.044826	Saturates
66	34	58	0	0	0	6	466.464	0.005728	Saturates
67	29	56	0	0	0	2	404.448	0.207152	Saturates
68	30	56	0	0	0	3	416.448	0.168235	Saturates
69	31	56	0	0	0	4	428.448	0.147794	Saturates
70	32	56	0	0	0	5	440.448	0.042073	Saturates
71	33	56	0	0	0	6	452.448	0.005252	Saturates
72	29	54	0	0	0	3	402.432	0.119524	Saturates
73	30	54	0	0	0	4	414.432	0.12206	Saturates
74	31	54	0	0	0	5	426.432	0.032601	Saturates
75	32	54	0	0	0	6	438.432	0.004958	Saturates
76	28	52	0	0	0	3	388.416	0.059895	Saturates
77	29	52	0	0	0	4	400.416	0.060707	Saturates
78	30	52	0	0	0	5	412.416	0.020794	Saturates
79	31	52	0	0	0	6	424.416	0.003826	Saturates
80	27	50	0	0	0	3	374.4	0.033535	Saturates
81	28	50	0	0	0	4	386.4	0.02139	Saturates
82	29	50	0	0	0	5	398.4	0.01128	Saturates
83	30	50	0	0	0	6	410.4	0.0025	Saturates
84	27	48	0	0	0	4	372.384	0.009674	Saturates
85	28	48	0	0	0	5	384.384	0.005122	Saturates
86	29	48	0	0	0	6	396.384	0.001715	Saturates
87	28	46	0	0	0	6	382.368	0.00058	Saturates
88	21	12	0	0	0	16	264.096	0.00027	Aromatics
89	20	14	0	0	0	14	254.112	0.035982	Aromatics
90	22	14	0	0	0	16	278.112	0.001374	Aromatics
91	21	16	0	0	0	14	268.128	0.158665	Aromatics
92	22	16	0	0	0	15	280.128	0.000604	Aromatics
93	23	16	0	0	0	16	292.128	0.00339	Aromatics
94	20	18	0	0	0	12	258.144	0.134047	Aromatics
95	21	18	0	0	0	13	270.144	0.022953	Aromatics
96	22	18	0	0	0	14	282.144	0.346807	Aromatics
97	23	18	0	0	0	15	294.144	0.002323	Aromatics
98	24	18	0	0	0	16	306.144	0.004086	Aromatics
99	19	20	0	0	0	10	248.16	0.045159	Aromatics
100	20	20	0	0	0	11	260.16	0.063597	Aromatics
101	21	20	0	0	0	12	272.16	0.94247	Aromatics
102	22	20	0	0	0	13	284.16	0.222039	Aromatics
103	23	20	0	0	0	14	296.16	0.429449	Aromatics
104	24	20	0	0	0	15	308.16	0.006334	Aromatics
105	25	20	0	0	0	16	320.16	0.003091	Aromatics
106	18	22	0	0	0	8	238.176	0.038082	Aromatics
107	19	22	0	0	0	9	250.176	0.051409	Aromatics
108	20	22	0	0	0	10	262.176	0.24738	Aromatics
109	21	22	0	0	0	11	274.176	0.45934	Aromatics
110	22	22	0	0	0	12	286.176	1.82695	Aromatics
111	23	22	0	0	0	13	298.176	0.632118	Aromatics
112	24	22	0	0	0	14	310.176	0.433217	Aromatics
113	25	22	0	0	0	15	322.176	0.008782	Aromatics
114	26	22	0	0	0	16	334.176	0.002463	Aromatics
115	19	24	0	0	0	8	252.192	0.112762	Aromatics
116	20	24	0	0	0	9	264.192	0.153865	Aromatics
117	21	24	0	0	0	10	276.192	0.567301	Aromatics
118	22	24	0	0	0	11	288.192	1.14179	Aromatics
119	23	24	0	0	0	12	300.192	1.63223	Aromatics
120	24	24	0	0	0	13	312.192	0.762814	Aromatics
121	25	24	0	0	0	14	324.192	0.440514	Aromatics
122	26	24	0	0	0	15	336.192	0.007574	Aromatics
123	27	24	0	0	0	16	348.192	0.002563	Aromatics
124	19	26	0	0	0	7	254.208	0.040646	Aromatics
125	20	26	0	0	0	8	266.208	0.185974	Aromatics
126	21	26	0	0	0	9	278.208	0.344377	Aromatics
127	22	26	0	0	0	10	290.208	0.585418	Aromatics
128	23	26	0	0	0	11	302.208	1.26005	Aromatics
129	24	26	0	0	0	12	314.208	1.03728	Aromatics
130	25	26	0	0	0	13	326.208	0.549351	Aromatics
131	26	26	0	0	0	14	338.208	0.422687	Aromatics
132	27	26	0	0	0	15	350.208	0.005475	Aromatics
133	28	26	0	0	0	16	362.208	0.002346	Aromatics
134	20	28	0	0	0	7	268.224	0.11993	Aromatics
135	21	28	0	0	0	8	280.224	0.208616	Aromatics
136	22	28	0	0	0	9	292.224	0.452488	Aromatics
137	23	28	0	0	0	10	304.224	0.402913	Aromatics
138	24	28	0	0	0	11	316.224	0.878143	Aromatics
139	25	28	0	0	0	12	328.224	0.596047	Aromatics
140	26	28	0	0	0	13	340.224	0.335563	Aromatics
141	27	28	0	0	0	14	352.224	0.319884	Aromatics
142	28	28	0	0	0	15	364.224	0.003208	Aromatics
143	29	28	0	0	0	16	376.224	0.001627	Aromatics
144	21	30	0	0	0	7	282.24	0.197174	Aromatics
145	22	30	0	0	0	8	294.24	0.193099	Aromatics
146	23	30	0	0	0	9	306.24	0.40983	Aromatics
147	24	30	0	0	0	10	318.24	0.258987	Aromatics
148	25	30	0	0	0	11	330.24	0.509648	Aromatics
149	26	30	0	0	0	12	342.24	0.353056	Aromatics
150	27	30	0	0	0	13	354.24	0.206879	Aromatics
151	28	30	0	0	0	14	366.24	0.227203	Aromatics
152	29	30	0	0	0	15	378.24	0.002033	Aromatics
153	30	30	0	0	0	16	390.24	0.001383	Aromatics
154	22	32	0	0	0	7	296.256	0.220551	Aromatics
155	23	32	0	0	0	8	308.256	0.185112	Aromatics
156	24	32	0	0	0	9	320.256	0.325632	Aromatics
157	25	32	0	0	0	10	332.256	0.164189	Aromatics
158	26	32	0	0	0	11	344.256	0.312495	Aromatics
159	27	32	0	0	0	12	356.256	0.214571	Aromatics
160	28	32	0	0	0	13	368.256	0.126192	Aromatics
161	29	32	0	0	0	14	380.256	0.152548	Aromatics
162	30	32	0	0	0	15	392.256	0.001221	Aromatics
163	31	32	0	0	0	16	404.256	0.00086	Aromatics
164	22	34	0	0	0	6	298.272	0.316167	Aromatics
165	23	34	0	0	0	7	310.272	0.203621	Aromatics
166	24	34	0	0	0	8	322.272	0.197045	Aromatics
167	25	34	0	0	0	9	334.272	0.283032	Aromatics
168	26	34	0	0	0	10	346.272	0.113003	Aromatics
169	27	34	0	0	0	11	358.272	0.250714	Aromatics
170	28	34	0	0	0	12	370.272	0.144432	Aromatics
171	29	34	0	0	0	13	382.272	0.087892	Aromatics
172	30	34	0	0	0	14	394.272	0.109967	Aromatics
173	31	34	0	0	0	15	406.272	0.000969	Aromatics
174	32	34	0	0	0	16	418.272	0.000716	Aromatics
175	23	36	0	0	0	6	312.288	0.338483	Aromatics
176	24	36	0	0	0	7	324.288	0.194739	Aromatics
177	25	36	0	0	0	8	336.288	0.209335	Aromatics
178	26	36	0	0	0	9	348.288	0.226738	Aromatics
179	27	36	0	0	0	10	360.288	0.086316	Aromatics
180	28	36	0	0	0	11	372.288	0.222536	Aromatics
181	29	36	0	0	0	12	384.288	0.10837	Aromatics
182	30	36	0	0	0	13	396.288	0.065127	Aromatics
183	31	36	0	0	0	14	408.288	0.080532	Aromatics
184	32	36	0	0	0	15	420.288	0.000574	Aromatics
185	33	36	0	0	0	16	432.288	0.000506	Aromatics
186	24	38	0	0	0	6	326.304	0.353674	Aromatics
187	25	38	0	0	0	7	338.304	0.206847	Aromatics
188	26	38	0	0	0	8	350.304	0.213786	Aromatics
189	27	38	0	0	0	9	362.304	0.207206	Aromatics
190	28	38	0	0	0	10	374.304	0.070952	Aromatics
191	29	38	0	0	0	11	386.304	0.196313	Aromatics
192	30	38	0	0	0	12	398.304	0.093136	Aromatics
193	31	38	0	0	0	13	410.304	0.048294	Aromatics
194	32	38	0	0	0	14	422.304	0.059981	Aromatics
195	33	38	0	0	0	15	434.304	0.000593	Aromatics
196	25	40	0	0	0	6	340.32	0.512779	Aromatics
197	26	40	0	0	0	7	352.32	0.219315	Aromatics
198	27	40	0	0	0	8	364.32	0.193698	Aromatics
199	28	40	0	0	0	9	376.32	0.188739	Aromatics
200	29	40	0	0	0	10	388.32	0.059402	Aromatics
201	30	40	0	0	0	11	400.32	0.169053	Aromatics
202	31	40	0	0	0	12	412.32	0.044101	Aromatics
203	32	40	0	0	0	13	424.32	0.029004	Aromatics
204	33	40	0	0	0	14	436.32	0.052378	Aromatics
205	34	40	0	0	0	15	448.32	0.000504	Aromatics
206	26	42	0	0	0	6	354.336	0.325103	Aromatics
207	27	42	0	0	0	7	366.336	0.22357	Aromatics
208	28	42	0	0	0	8	378.336	0.199013	Aromatics
209	29	42	0	0	0	9	390.336	0.158197	Aromatics
210	30	42	0	0	0	10	402.336	0.049357	Aromatics
211	31	42	0	0	0	11	414.336	0.127255	Aromatics
212	32	42	0	0	0	12	426.336	0.0456	Aromatics
213	33	42	0	0	0	13	438.336	0.015753	Aromatics
214	34	42	0	0	0	14	450.336	0.036339	Aromatics
215	27	44	0	0	0	6	368.352	0.458204	Aromatics
216	28	44	0	0	0	7	380.352	0.202222	Aromatics
217	29	44	0	0	0	8	392.352	0.162588	Aromatics
218	30	44	0	0	0	9	404.352	0.125098	Aromatics
219	31	44	0	0	0	10	416.352	0.033396	Aromatics
220	32	44	0	0	0	11	428.352	0.100593	Aromatics
221	33	44	0	0	0	12	440.352	0.037204	Aromatics
222	34	44	0	0	0	13	452.352	0.016256	Aromatics
223	35	44	0	0	0	14	464.352	0.025573	Aromatics
224	27	46	0	0	0	5	370.368	0.400385	Aromatics
225	28	46	0	0	0	6	382.368	0.439003	Aromatics
226	29	46	0	0	0	7	394.368	0.207446	Aromatics
227	30	46	0	0	0	8	406.368	0.145054	Aromatics
228	31	46	0	0	0	9	418.368	0.111179	Aromatics
229	32	46	0	0	0	10	430.368	0.027034	Aromatics
230	33	46	0	0	0	11	442.368	0.080574	Aromatics
231	34	46	0	0	0	12	454.368	0.031726	Aromatics
232	35	46	0	0	0	13	466.368	0.01676	Aromatics
233	27	48	0	0	0	4	372.384	0.602506	Aromatics
234	28	48	0	0	0	5	384.384	0.5011	Aromatics
235	29	48	0	0	0	6	396.384	0.332553	Aromatics
236	30	48	0	0	0	7	408.384	0.169232	Aromatics
237	31	48	0	0	0	8	420.384	0.130607	Aromatics
238	32	48	0	0	0	9	432.384	0.085028	Aromatics
239	33	48	0	0	0	10	444.384	0.02716	Aromatics
240	34	48	0	0	0	11	456.384	0.070612	Aromatics
241	28	50	0	0	0	4	386.4	1.1091	Aromatics
242	29	50	0	0	0	5	398.4	0.611478	Aromatics
243	30	50	0	0	0	6	410.4	0.35508	Aromatics
244	31	50	0	0	0	7	422.4	0.150777	Aromatics
245	32	50	0	0	0	8	434.4	0.100243	Aromatics
246	33	50	0	0	0	9	446.4	0.07072	Aromatics
247	35	50	0	0	0	11	470.4	0.06047	Aromatics
248	29	52	0	0	0	4	400.416	0.873371	Aromatics
249	30	52	0	0	0	5	412.416	0.379552	Aromatics
250	31	52	0	0	0	6	424.416	0.415358	Aromatics
251	32	52	0	0	0	7	436.416	0.135587	Aromatics
252	30	54	0	0	0	4	414.432	0.801905	Aromatics
253	31	54	0	0	0	5	426.432	0.645924	Aromatics
254	33	54	0	0	0	7	450.432	0.103942	Aromatics
255	31	56	0	0	0	4	428.448	0.808338	Aromatics
256	32	56	0	0	0	5	440.448	0.598943	Aromatics
257	32	58	0	0	0	4	442.464	0.610539	Aromatics
258	12	10	0	2	0	9	182.1	4.1e-05	Basic nitrogen compounds
259	13	10	0	2	0	10	194.1	1.6e-05	Basic nitrogen compounds
260	14	10	0	2	0	11	206.1	3.6e-05	Basic nitrogen compounds
261	15	10	0	2	0	12	218.1	0.00012	Basic nitrogen compounds
262	17	10	0	2	0	14	242.1	3e-05	Basic nitrogen compounds
263	15	11	1	1	0	11	221.098	1.8e-05	Basic nitrogen compounds
264	16	11	1	1	0	12	233.098	3.6e-05	Basic nitrogen compounds
265	17	11	1	1	0	13	245.098	3.6e-05	Basic nitrogen compounds
266	18	11	1	1	0	14	257.098	2.7e-05	Basic nitrogen compounds
267	19	11	1	1	0	15	269.098	0.000108	Basic nitrogen compounds
268	20	11	1	1	0	16	281.098	6.7e-05	Basic nitrogen compounds
269	21	11	1	1	0	17	293.098	8e-05	Basic nitrogen compounds
270	22	11	1	1	0	18	305.098	0.000183	Basic nitrogen compounds
271	23	11	1	1	0	19	317.098	7.1e-05	Basic nitrogen compounds
272	24	11	1	1	0	20	329.098	4.8e-05	Basic nitrogen compounds
273	20	11	2	1	0	16	297.098	6.2e-05	Basic nitrogen compounds
274	21	11	2	1	0	17	309.098	5.7e-05	Basic nitrogen compounds
275	10	11	0	1	1	6	177.158	2.6e-05	Basic nitrogen compounds
276	11	11	0	1	1	7	189.158	1.7e-05	Basic nitrogen compounds
277	12	11	0	1	1	8	201.158	3.3e-05	Basic nitrogen compounds
278	13	11	0	1	1	9	213.158	0.000583	Basic nitrogen compounds
279	14	11	0	1	1	10	225.158	6.4e-05	Basic nitrogen compounds
280	15	11	0	1	1	11	237.158	0.000403	Basic nitrogen compounds
281	16	11	0	1	1	12	249.158	0.000622	Basic nitrogen compounds
282	17	11	0	1	1	13	261.158	3.4e-05	Basic nitrogen compounds
283	18	11	0	1	1	14	273.158	0.000212	Basic nitrogen compounds
284	19	11	0	1	1	15	285.158	3.6e-05	Basic nitrogen compounds
285	10	11	0	1	0	6	145.098	9e-06	Basic nitrogen compounds
286	11	11	0	1	0	7	157.098	1.3e-05	Basic nitrogen compounds
287	12	11	0	1	0	8	169.098	2.2e-05	Basic nitrogen compounds
288	13	11	0	1	0	9	181.098	2.8e-05	Basic nitrogen compounds
289	14	11	0	1	0	10	193.098	0.000274	Basic nitrogen compounds
290	15	11	0	1	0	11	205.098	7e-05	Basic nitrogen compounds
291	16	11	0	1	0	12	217.098	0.000848	Basic nitrogen compounds
292	17	11	0	1	0	13	229.098	0.000255	Basic nitrogen compounds
293	18	11	0	1	0	14	241.098	3.1e-05	Basic nitrogen compounds
294	19	11	0	1	0	15	253.098	0.000177	Basic nitrogen compounds
295	20	11	0	1	0	16	265.098	3e-05	Basic nitrogen compounds
296	21	11	0	1	0	17	277.098	5e-05	Basic nitrogen compounds
297	13	12	0	2	0	9	196.116	0.000243	Basic nitrogen compounds
298	14	12	0	2	0	10	208.116	5.2e-05	Basic nitrogen compounds
299	15	12	0	2	0	11	220.116	0.000136	Basic nitrogen compounds
300	16	12	0	2	0	12	232.116	0.000684	Basic nitrogen compounds
301	17	12	0	2	0	13	244.116	6.5e-05	Basic nitrogen compounds
302	18	12	0	2	0	14	256.116	0.000114	Basic nitrogen compounds
303	19	12	0	2	0	15	268.116	3.9e-05	Basic nitrogen compounds
304	13	13	1	1	0	8	199.114	2.8e-05	Basic nitrogen compounds
305	14	13	1	1	0	9	211.114	2.7e-05	Basic nitrogen compounds
306	15	13	1	1	0	10	223.114	3.4e-05	Basic nitrogen compounds
307	16	13	1	1	0	11	235.114	5.3e-05	Basic nitrogen compounds
308	17	13	1	1	0	12	247.114	0.000179	Basic nitrogen compounds
309	18	13	1	1	0	13	259.114	8e-05	Basic nitrogen compounds
310	19	13	1	1	0	14	271.114	3e-05	Basic nitrogen compounds
311	20	13	1	1	0	15	283.114	9.5e-05	Basic nitrogen compounds
312	21	13	1	1	0	16	295.114	9.6e-05	Basic nitrogen compounds
313	22	13	1	1	0	17	307.114	6.2e-05	Basic nitrogen compounds
314	25	13	1	1	0	20	343.114	4.4e-05	Basic nitrogen compounds
315	21	13	2	1	0	16	311.114	5.8e-05	Basic nitrogen compounds
316	22	13	2	1	0	17	323.114	6.6e-05	Basic nitrogen compounds
317	11	13	0	1	1	6	191.174	0.000111	Basic nitrogen compounds
318	12	13	0	1	1	7	203.174	6.9e-05	Basic nitrogen compounds
319	13	13	0	1	1	8	215.174	0.000123	Basic nitrogen compounds
320	14	13	0	1	1	9	227.174	0.002178	Basic nitrogen compounds
321	15	13	0	1	1	10	239.174	0.000653	Basic nitrogen compounds
322	16	13	0	1	1	11	251.174	0.000853	Basic nitrogen compounds
323	17	13	0	1	1	12	263.174	0.002909	Basic nitrogen compounds
324	18	13	0	1	1	13	275.174	0.000249	Basic nitrogen compounds
325	19	13	0	1	1	14	287.174	0.000503	Basic nitrogen compounds
326	20	13	0	1	1	15	299.174	0.000157	Basic nitrogen compounds
327	21	13	0	1	1	16	311.174	5.3e-05	Basic nitrogen compounds
328	22	13	0	1	1	17	323.174	4.1e-05	Basic nitrogen compounds
329	11	13	0	1	0	6	159.114	1.3e-05	Basic nitrogen compounds
330	12	13	0	1	0	7	171.114	7.7e-05	Basic nitrogen compounds
331	13	13	0	1	0	8	183.114	0.000208	Basic nitrogen compounds
332	14	13	0	1	0	9	195.114	0.000193	Basic nitrogen compounds
333	15	13	0	1	0	10	207.114	0.001267	Basic nitrogen compounds
334	16	13	0	1	0	11	219.114	0.000615	Basic nitrogen compounds
335	17	13	0	1	0	12	231.114	0.003772	Basic nitrogen compounds
336	18	13	0	1	0	13	243.114	0.001559	Basic nitrogen compounds
337	19	13	0	1	0	14	255.114	0.000174	Basic nitrogen compounds
338	20	13	0	1	0	15	267.114	0.00098	Basic nitrogen compounds
339	21	13	0	1	0	16	279.114	8.5e-05	Basic nitrogen compounds
340	22	13	0	1	0	17	291.114	8.2e-05	Basic nitrogen compounds
341	11	14	0	2	0	6	174.132	1.3e-05	Basic nitrogen compounds
342	12	14	0	2	0	7	186.132	1.9e-05	Basic nitrogen compounds
343	14	14	0	2	0	9	210.132	0.000654	Basic nitrogen compounds
344	15	14	0	2	0	10	222.132	0.00029	Basic nitrogen compounds
345	16	14	0	2	0	11	234.132	0.000282	Basic nitrogen compounds
346	17	14	0	2	0	12	246.132	0.002038	Basic nitrogen compounds
347	18	14	0	2	0	13	258.132	0.000242	Basic nitrogen compounds
348	19	14	0	2	0	14	270.132	0.000262	Basic nitrogen compounds
349	20	14	0	2	0	15	282.132	0.000194	Basic nitrogen compounds
350	21	14	0	2	0	16	294.132	3e-05	Basic nitrogen compounds
351	14	15	1	1	0	8	213.13	4.3e-05	Basic nitrogen compounds
352	15	15	1	1	0	9	225.13	9.1e-05	Basic nitrogen compounds
353	16	15	1	1	0	10	237.13	0.000106	Basic nitrogen compounds
354	17	15	1	1	0	11	249.13	0.000142	Basic nitrogen compounds
355	18	15	1	1	0	12	261.13	0.000417	Basic nitrogen compounds
356	19	15	1	1	0	13	273.13	0.000164	Basic nitrogen compounds
357	20	15	1	1	0	14	285.13	9.7e-05	Basic nitrogen compounds
358	21	15	1	1	0	15	297.13	7.2e-05	Basic nitrogen compounds
359	22	15	1	1	0	16	309.13	0.000113	Basic nitrogen compounds
360	26	15	1	1	0	20	357.13	6.2e-05	Basic nitrogen compounds
361	23	15	2	1	0	17	337.13	4.6e-05	Basic nitrogen compounds
362	12	15	0	1	1	6	205.19	0.000159	Basic nitrogen compounds
363	13	15	0	1	1	7	217.19	0.000194	Basic nitrogen compounds
364	14	15	0	1	1	8	229.19	0.000185	Basic nitrogen compounds
365	15	15	0	1	1	9	241.19	0.003593	Basic nitrogen compounds
366	16	15	0	1	1	10	253.19	0.002198	Basic nitrogen compounds
367	17	15	0	1	1	11	265.19	0.00191	Basic nitrogen compounds
368	18	15	0	1	1	12	277.19	0.004898	Basic nitrogen compounds
369	19	15	0	1	1	13	289.19	0.000864	Basic nitrogen compounds
370	20	15	0	1	1	14	301.19	0.000818	Basic nitrogen compounds
371	21	15	0	1	1	15	313.19	0.000361	Basic nitrogen compounds
372	22	15	0	1	1	16	325.19	0.000118	Basic nitrogen compounds
373	23	15	0	1	1	17	337.19	7.1e-05	Basic nitrogen compounds
374	11	15	0	1	0	5	161.13	1.2e-05	Basic nitrogen compounds
375	12	15	0	1	0	6	173.13	1.2e-05	Basic nitrogen compounds
376	13	15	0	1	0	7	185.13	0.000236	Basic nitrogen compounds
377	14	15	0	1	0	8	197.13	0.000928	Basic nitrogen compounds
378	15	15	0	1	0	9	209.13	0.000827	Basic nitrogen compounds
379	16	15	0	1	0	10	221.13	0.00297	Basic nitrogen compounds
380	17	15	0	1	0	11	233.13	0.003695	Basic nitrogen compounds
381	18	15	0	1	0	12	245.13	0.007606	Basic nitrogen compounds
382	19	15	0	1	0	13	257.13	0.004628	Basic nitrogen compounds
383	20	15	0	1	0	14	269.13	0.00081	Basic nitrogen compounds
384	21	15	0	1	0	15	281.13	0.001852	Basic nitrogen compounds
385	22	15	0	1	0	16	293.13	0.000344	Basic nitrogen compounds
386	23	15	0	1	0	17	305.13	0.000165	Basic nitrogen compounds
387	24	15	0	1	0	18	317.13	9e-05	Basic nitrogen compounds
388	17	16	1	2	0	11	264.148	3.3e-05	Basic nitrogen compounds
389	12	16	0	2	0	6	188.148	2.6e-05	Basic nitrogen compounds
390	13	16	0	2	0	7	200.148	5.9e-05	Basic nitrogen compounds
391	14	16	0	2	0	8	212.148	3.5e-05	Basic nitrogen compounds
392	15	16	0	2	0	9	224.148	0.001038	Basic nitrogen compounds
393	16	16	0	2	0	10	236.148	0.000817	Basic nitrogen compounds
394	17	16	0	2	0	11	248.148	0.000415	Basic nitrogen compounds
395	18	16	0	2	0	12	260.148	0.003254	Basic nitrogen compounds
396	19	16	0	2	0	13	272.148	0.000644	Basic nitrogen compounds
397	20	16	0	2	0	14	284.148	0.000357	Basic nitrogen compounds
398	21	16	0	2	0	15	296.148	0.000372	Basic nitrogen compounds
399	22	16	0	2	0	16	308.148	9.2e-05	Basic nitrogen compounds
400	23	16	0	2	0	17	320.148	7e-05	Basic nitrogen compounds
401	15	17	1	1	0	8	227.146	7.1e-05	Basic nitrogen compounds
402	16	17	1	1	0	9	239.146	0.000184	Basic nitrogen compounds
403	17	17	1	1	0	10	251.146	0.000139	Basic nitrogen compounds
404	18	17	1	1	0	11	263.146	0.000264	Basic nitrogen compounds
405	19	17	1	1	0	12	275.146	0.000661	Basic nitrogen compounds
406	20	17	1	1	0	13	287.146	0.000217	Basic nitrogen compounds
407	21	17	1	1	0	14	299.146	0.000139	Basic nitrogen compounds
408	22	17	1	1	0	15	311.146	0.000154	Basic nitrogen compounds
409	23	17	1	1	0	16	323.146	8.8e-05	Basic nitrogen compounds
410	24	17	2	1	0	17	351.146	4.1e-05	Basic nitrogen compounds
411	13	17	0	1	1	6	219.206	0.000199	Basic nitrogen compounds
412	14	17	0	1	1	7	231.206	0.000308	Basic nitrogen compounds
413	15	17	0	1	1	8	243.206	0.000312	Basic nitrogen compounds
414	16	17	0	1	1	9	255.206	0.004072	Basic nitrogen compounds
415	17	17	0	1	1	10	267.206	0.005158	Basic nitrogen compounds
416	18	17	0	1	1	11	279.206	0.002683	Basic nitrogen compounds
417	19	17	0	1	1	12	291.206	0.004785	Basic nitrogen compounds
418	20	17	0	1	1	13	303.206	0.002	Basic nitrogen compounds
419	21	17	0	1	1	14	315.206	0.00103	Basic nitrogen compounds
420	22	17	0	1	1	15	327.206	0.000475	Basic nitrogen compounds
421	23	17	0	1	1	16	339.206	0.000222	Basic nitrogen compounds
422	24	17	0	1	1	17	351.206	0.000111	Basic nitrogen compounds
423	25	17	0	1	1	18	363.206	3.5e-05	Basic nitrogen compounds
424	12	17	0	1	0	5	175.146	2.6e-05	Basic nitrogen compounds
425	13	17	0	1	0	6	187.146	8.2e-05	Basic nitrogen compounds
426	14	17	0	1	0	7	199.146	0.000337	Basic nitrogen compounds
427	15	17	0	1	0	8	211.146	0.001825	Basic nitrogen compounds
428	16	17	0	1	0	9	223.146	0.002486	Basic nitrogen compounds
429	17	17	0	1	0	10	235.146	0.006033	Basic nitrogen compounds
430	18	17	0	1	0	11	247.146	0.008671	Basic nitrogen compounds
431	19	17	0	1	0	12	259.146	0.013616	Basic nitrogen compounds
432	20	17	0	1	0	13	271.146	0.002165	Basic nitrogen compounds
433	21	17	0	1	0	14	283.146	0.002133	Basic nitrogen compounds
434	22	17	0	1	0	15	295.146	0.002635	Basic nitrogen compounds
435	23	17	0	1	0	16	307.146	0.000676	Basic nitrogen compounds
436	24	17	0	1	0	17	319.146	0.000333	Basic nitrogen compounds
437	25	17	0	1	0	18	331.146	0.000164	Basic nitrogen compounds
438	18	18	1	2	0	11	278.164	3.9e-05	Basic nitrogen compounds
439	13	18	0	2	0	6	202.164	2.6e-05	Basic nitrogen compounds
440	14	18	0	2	0	7	214.164	9.2e-05	Basic nitrogen compounds
441	15	18	0	2	0	8	226.164	6.8e-05	Basic nitrogen compounds
442	16	18	0	2	0	9	238.164	0.001211	Basic nitrogen compounds
443	17	18	0	2	0	10	250.164	0.001076	Basic nitrogen compounds
444	18	18	0	2	0	11	262.164	0.000598	Basic nitrogen compounds
445	19	18	0	2	0	12	274.164	0.002643	Basic nitrogen compounds
446	20	18	0	2	0	13	286.164	0.001051	Basic nitrogen compounds
447	21	18	0	2	0	14	298.164	0.000416	Basic nitrogen compounds
448	22	18	0	2	0	15	310.164	0.000475	Basic nitrogen compounds
449	23	18	0	2	0	16	322.164	0.000164	Basic nitrogen compounds
450	24	18	0	2	0	17	334.164	6e-05	Basic nitrogen compounds
451	25	18	0	2	0	18	346.164	3.4e-05	Basic nitrogen compounds
452	14	19	1	1	0	6	217.162	2.3e-05	Basic nitrogen compounds
453	15	19	1	1	0	7	229.162	4.8e-05	Basic nitrogen compounds
454	16	19	1	1	0	8	241.162	7e-05	Basic nitrogen compounds
455	17	19	1	1	0	9	253.162	0.000246	Basic nitrogen compounds
456	18	19	1	1	0	10	265.162	0.000356	Basic nitrogen compounds
457	19	19	1	1	0	11	277.162	0.000313	Basic nitrogen compounds
458	20	19	1	1	0	12	289.162	0.00066	Basic nitrogen compounds
459	21	19	1	1	0	13	301.162	0.000287	Basic nitrogen compounds
460	22	19	1	1	0	14	313.162	0.000201	Basic nitrogen compounds
461	23	19	1	1	0	15	325.162	0.000139	Basic nitrogen compounds
462	24	19	1	1	0	16	337.162	7.9e-05	Basic nitrogen compounds
463	25	19	2	1	0	17	365.162	4.5e-05	Basic nitrogen compounds
464	13	19	0	1	1	5	221.222	1.7e-05	Basic nitrogen compounds
465	14	19	0	1	1	6	233.222	0.000249	Basic nitrogen compounds
466	15	19	0	1	1	7	245.222	0.000398	Basic nitrogen compounds
467	16	19	0	1	1	8	257.222	0.000461	Basic nitrogen compounds
468	17	19	0	1	1	9	269.222	0.004152	Basic nitrogen compounds
469	18	19	0	1	1	10	281.222	0.005098	Basic nitrogen compounds
470	19	19	0	1	1	11	293.222	0.003195	Basic nitrogen compounds
471	20	19	0	1	1	12	305.222	0.003064	Basic nitrogen compounds
472	21	19	0	1	1	13	317.222	0.002662	Basic nitrogen compounds
473	22	19	0	1	1	14	329.222	0.001056	Basic nitrogen compounds
474	23	19	0	1	1	15	341.222	0.000535	Basic nitrogen compounds
475	24	19	0	1	1	16	353.222	0.000384	Basic nitrogen compounds
476	25	19	0	1	1	17	365.222	0.000146	Basic nitrogen compounds
477	26	19	0	1	1	18	377.222	7.4e-05	Basic nitrogen compounds
478	13	19	0	1	0	5	189.162	5.5e-05	Basic nitrogen compounds
479	14	19	0	1	0	6	201.162	0.000191	Basic nitrogen compounds
480	15	19	0	1	0	7	213.162	0.000439	Basic nitrogen compounds
481	16	19	0	1	0	8	225.162	0.00231	Basic nitrogen compounds
482	17	19	0	1	0	9	237.162	0.004556	Basic nitrogen compounds
483	18	19	0	1	0	10	249.162	0.008092	Basic nitrogen compounds
484	19	19	0	1	0	11	261.162	0.011946	Basic nitrogen compounds
485	20	19	0	1	0	12	273.162	0.0158	Basic nitrogen compounds
486	21	19	0	1	0	13	285.162	0.008436	Basic nitrogen compounds
487	22	19	0	1	0	14	297.162	0.00405	Basic nitrogen compounds
488	23	19	0	1	0	15	309.162	0.002652	Basic nitrogen compounds
489	24	19	0	1	0	16	321.162	0.001076	Basic nitrogen compounds
490	25	19	0	1	0	17	333.162	0.000346	Basic nitrogen compounds
491	26	19	0	1	0	18	345.162	0.000152	Basic nitrogen compounds
492	19	20	1	2	0	11	292.18	4.7e-05	Basic nitrogen compounds
493	14	20	0	2	0	6	216.18	3.1e-05	Basic nitrogen compounds
494	15	20	0	2	0	7	228.18	0.000113	Basic nitrogen compounds
495	16	20	0	2	0	8	240.18	0.000148	Basic nitrogen compounds
496	17	20	0	2	0	9	252.18	0.001013	Basic nitrogen compounds
497	18	20	0	2	0	10	264.18	0.001473	Basic nitrogen compounds
498	19	20	0	2	0	11	276.18	0.000734	Basic nitrogen compounds
499	20	20	0	2	0	12	288.18	0.002107	Basic nitrogen compounds
500	21	20	0	2	0	13	300.18	0.001418	Basic nitrogen compounds
501	22	20	0	2	0	14	312.18	0.000532	Basic nitrogen compounds
502	23	20	0	2	0	15	324.18	0.000348	Basic nitrogen compounds
503	24	20	0	2	0	16	336.18	0.000314	Basic nitrogen compounds
504	25	20	0	2	0	17	348.18	0.000113	Basic nitrogen compounds
505	26	20	0	2	0	18	360.18	4.6e-05	Basic nitrogen compounds
506	15	21	1	1	0	6	231.178	2.2e-05	Basic nitrogen compounds
507	16	21	1	1	0	7	243.178	5.2e-05	Basic nitrogen compounds
508	17	21	1	1	0	8	255.178	8.4e-05	Basic nitrogen compounds
509	18	21	1	1	0	9	267.178	0.000295	Basic nitrogen compounds
510	19	21	1	1	0	10	279.178	0.000414	Basic nitrogen compounds
511	20	21	1	1	0	11	291.178	0.000356	Basic nitrogen compounds
512	21	21	1	1	0	12	303.178	0.000523	Basic nitrogen compounds
513	22	21	1	1	0	13	315.178	0.000375	Basic nitrogen compounds
514	23	21	1	1	0	14	327.178	0.000212	Basic nitrogen compounds
515	24	21	1	1	0	15	339.178	0.000103	Basic nitrogen compounds
516	25	21	1	1	0	16	351.178	0.000113	Basic nitrogen compounds
517	26	21	2	1	0	17	379.178	3.6e-05	Basic nitrogen compounds
518	13	21	0	1	1	4	223.238	1.5e-05	Basic nitrogen compounds
519	14	21	0	1	1	5	235.238	2.6e-05	Basic nitrogen compounds
520	15	21	0	1	1	6	247.238	0.000283	Basic nitrogen compounds
521	16	21	0	1	1	7	259.238	0.000505	Basic nitrogen compounds
522	17	21	0	1	1	8	271.238	0.000288	Basic nitrogen compounds
523	18	21	0	1	1	9	283.238	0.003924	Basic nitrogen compounds
524	19	21	0	1	1	10	295.238	0.005609	Basic nitrogen compounds
525	20	21	0	1	1	11	307.238	0.003252	Basic nitrogen compounds
526	21	21	0	1	1	12	319.238	0.00238	Basic nitrogen compounds
527	22	21	0	1	1	13	331.238	0.002816	Basic nitrogen compounds
528	23	21	0	1	1	14	343.238	0.00108	Basic nitrogen compounds
529	24	21	0	1	1	15	355.238	0.000686	Basic nitrogen compounds
530	25	21	0	1	1	16	367.238	0.000527	Basic nitrogen compounds
531	26	21	0	1	1	17	379.238	0.000169	Basic nitrogen compounds
532	27	21	0	1	1	18	391.238	9.8e-05	Basic nitrogen compounds
533	28	21	0	1	1	19	403.238	4.5e-05	Basic nitrogen compounds
534	14	21	0	1	0	5	203.178	7.5e-05	Basic nitrogen compounds
535	15	21	0	1	0	6	215.178	0.00033	Basic nitrogen compounds
536	16	21	0	1	0	7	227.178	0.000685	Basic nitrogen compounds
537	17	21	0	1	0	8	239.178	0.002341	Basic nitrogen compounds
538	18	21	0	1	0	9	251.178	0.007197	Basic nitrogen compounds
539	19	21	0	1	0	10	263.178	0.013403	Basic nitrogen compounds
540	20	21	0	1	0	11	275.178	0.012588	Basic nitrogen compounds
541	21	21	0	1	0	12	287.178	0.016536	Basic nitrogen compounds
542	22	21	0	1	0	13	299.178	0.010158	Basic nitrogen compounds
543	23	21	0	1	0	14	311.178	0.004637	Basic nitrogen compounds
544	24	21	0	1	0	15	323.178	0.002505	Basic nitrogen compounds
545	25	21	0	1	0	16	335.178	0.001098	Basic nitrogen compounds
546	26	21	0	1	0	17	347.178	0.000462	Basic nitrogen compounds
547	27	21	0	1	0	18	359.178	0.00018	Basic nitrogen compounds
548	28	21	0	1	0	19	371.178	8.8e-05	Basic nitrogen compounds
549	20	22	1	2	0	11	306.196	3.5e-05	Basic nitrogen compounds
550	15	22	0	2	0	6	230.196	3.8e-05	Basic nitrogen compounds
551	16	22	0	2	0	7	242.196	0.000128	Basic nitrogen compounds
552	17	22	0	2	0	8	254.196	0.000165	Basic nitrogen compounds
553	18	22	0	2	0	9	266.196	0.00095	Basic nitrogen compounds
554	19	22	0	2	0	10	278.196	0.001381	Basic nitrogen compounds
555	20	22	0	2	0	11	290.196	0.000889	Basic nitrogen compounds
556	21	22	0	2	0	12	302.196	0.001388	Basic nitrogen compounds
557	22	22	0	2	0	13	314.196	0.001356	Basic nitrogen compounds
558	23	22	0	2	0	14	326.196	0.000645	Basic nitrogen compounds
559	24	22	0	2	0	15	338.196	0.000287	Basic nitrogen compounds
560	25	22	0	2	0	16	350.196	0.000396	Basic nitrogen compounds
561	26	22	0	2	0	17	362.196	0.000116	Basic nitrogen compounds
562	27	22	0	2	0	18	374.196	6.7e-05	Basic nitrogen compounds
563	16	23	1	1	0	6	245.194	3.5e-05	Basic nitrogen compounds
564	17	23	1	1	0	7	257.194	6.5e-05	Basic nitrogen compounds
565	18	23	1	1	0	8	269.194	0.00011	Basic nitrogen compounds
566	19	23	1	1	0	9	281.194	0.000291	Basic nitrogen compounds
567	20	23	1	1	0	10	293.194	0.000431	Basic nitrogen compounds
568	21	23	1	1	0	11	305.194	0.000421	Basic nitrogen compounds
569	22	23	1	1	0	12	317.194	0.000417	Basic nitrogen compounds
570	23	23	1	1	0	13	329.194	0.000388	Basic nitrogen compounds
571	24	23	1	1	0	14	341.194	0.000226	Basic nitrogen compounds
572	25	23	1	1	0	15	353.194	0.000116	Basic nitrogen compounds
573	26	23	1	1	0	16	365.194	0.000102	Basic nitrogen compounds
574	14	23	0	1	1	4	237.254	2.6e-05	Basic nitrogen compounds
575	15	23	0	1	1	5	249.254	5e-05	Basic nitrogen compounds
576	16	23	0	1	1	6	261.254	0.000378	Basic nitrogen compounds
577	17	23	0	1	1	7	273.254	0.000565	Basic nitrogen compounds
578	18	23	0	1	1	8	285.254	0.000845	Basic nitrogen compounds
579	19	23	0	1	1	9	297.254	0.003754	Basic nitrogen compounds
580	20	23	0	1	1	10	309.254	0.004179	Basic nitrogen compounds
581	21	23	0	1	1	11	321.254	0.003127	Basic nitrogen compounds
582	22	23	0	1	1	12	333.254	0.001567	Basic nitrogen compounds
583	23	23	0	1	1	13	345.254	0.002139	Basic nitrogen compounds
584	24	23	0	1	1	14	357.254	0.001191	Basic nitrogen compounds
585	25	23	0	1	1	15	369.254	0.000562	Basic nitrogen compounds
586	26	23	0	1	1	16	381.254	0.000441	Basic nitrogen compounds
587	27	23	0	1	1	17	393.254	0.000172	Basic nitrogen compounds
588	28	23	0	1	1	18	405.254	9.5e-05	Basic nitrogen compounds
589	29	23	0	1	1	19	417.254	6.5e-05	Basic nitrogen compounds
590	32	23	0	1	1	22	453.254	4.7e-05	Basic nitrogen compounds
591	14	23	0	1	0	4	205.194	1.6e-05	Basic nitrogen compounds
592	15	23	0	1	0	5	217.194	9.4e-05	Basic nitrogen compounds
593	16	23	0	1	0	6	229.194	0.000435	Basic nitrogen compounds
594	17	23	0	1	0	7	241.194	0.001064	Basic nitrogen compounds
595	18	23	0	1	0	8	253.194	0.002363	Basic nitrogen compounds
596	19	23	0	1	0	9	265.194	0.009534	Basic nitrogen compounds
597	20	23	0	1	0	10	277.194	0.01669	Basic nitrogen compounds
598	21	23	0	1	0	11	289.194	0.015657	Basic nitrogen compounds
599	22	23	0	1	0	12	301.194	0.016619	Basic nitrogen compounds
600	23	23	0	1	0	13	313.194	0.009477	Basic nitrogen compounds
601	24	23	0	1	0	14	325.194	0.004576	Basic nitrogen compounds
602	25	23	0	1	0	15	337.194	0.001936	Basic nitrogen compounds
603	26	23	0	1	0	16	349.194	0.001293	Basic nitrogen compounds
604	27	23	0	1	0	17	361.194	0.000574	Basic nitrogen compounds
605	28	23	0	1	0	18	373.194	0.00019	Basic nitrogen compounds
606	29	23	0	1	0	19	385.194	0.000134	Basic nitrogen compounds
607	21	24	1	2	0	11	320.212	4.9e-05	Basic nitrogen compounds
608	16	24	0	2	0	6	244.212	4.8e-05	Basic nitrogen compounds
609	17	24	0	2	0	7	256.212	0.00015	Basic nitrogen compounds
610	18	24	0	2	0	8	268.212	0.000248	Basic nitrogen compounds
611	19	24	0	2	0	9	280.212	0.000821	Basic nitrogen compounds
612	20	24	0	2	0	10	292.212	0.001112	Basic nitrogen compounds
613	21	24	0	2	0	11	304.212	0.000912	Basic nitrogen compounds
614	22	24	0	2	0	12	316.212	0.000966	Basic nitrogen compounds
615	23	24	0	2	0	13	328.212	0.001113	Basic nitrogen compounds
616	24	24	0	2	0	14	340.212	0.000542	Basic nitrogen compounds
617	25	24	0	2	0	15	352.212	0.000342	Basic nitrogen compounds
618	26	24	0	2	0	16	364.212	0.000343	Basic nitrogen compounds
619	27	24	0	2	0	17	376.212	0.00013	Basic nitrogen compounds
620	28	24	0	2	0	18	388.212	5.8e-05	Basic nitrogen compounds
621	29	24	0	2	0	19	400.212	5e-05	Basic nitrogen compounds
622	17	25	1	1	0	6	259.21	5.1e-05	Basic nitrogen compounds
623	18	25	1	1	0	7	271.21	3.4e-05	Basic nitrogen compounds
624	19	25	1	1	0	8	283.21	0.00014	Basic nitrogen compounds
625	20	25	1	1	0	9	295.21	0.000293	Basic nitrogen compounds
626	21	25	1	1	0	10	307.21	0.000388	Basic nitrogen compounds
627	22	25	1	1	0	11	319.21	0.000428	Basic nitrogen compounds
628	23	25	1	1	0	12	331.21	0.000436	Basic nitrogen compounds
629	24	25	1	1	0	13	343.21	0.000337	Basic nitrogen compounds
630	25	25	1	1	0	14	355.21	0.000254	Basic nitrogen compounds
631	26	25	1	1	0	15	367.21	0.000151	Basic nitrogen compounds
632	15	25	0	1	1	4	251.27	4.7e-05	Basic nitrogen compounds
633	16	25	0	1	1	5	263.27	0.000112	Basic nitrogen compounds
634	17	25	0	1	1	6	275.27	0.000469	Basic nitrogen compounds
635	18	25	0	1	1	7	287.27	0.000694	Basic nitrogen compounds
636	19	25	0	1	1	8	299.27	0.001008	Basic nitrogen compounds
637	20	25	0	1	1	9	311.27	0.003264	Basic nitrogen compounds
638	21	25	0	1	1	10	323.27	0.003687	Basic nitrogen compounds
639	22	25	0	1	1	11	335.27	0.00239	Basic nitrogen compounds
640	23	25	0	1	1	12	347.27	0.001535	Basic nitrogen compounds
641	24	25	0	1	1	13	359.27	0.001552	Basic nitrogen compounds
642	25	25	0	1	1	14	371.27	0.000956	Basic nitrogen compounds
643	26	25	0	1	1	15	383.27	0.00056	Basic nitrogen compounds
644	27	25	0	1	1	16	395.27	0.000394	Basic nitrogen compounds
645	28	25	0	1	1	17	407.27	7.3e-05	Basic nitrogen compounds
646	29	25	0	1	1	18	419.27	0.000104	Basic nitrogen compounds
647	30	25	0	1	1	19	431.27	7e-05	Basic nitrogen compounds
648	31	25	0	1	1	20	443.27	4.1e-05	Basic nitrogen compounds
649	33	25	0	1	1	22	467.27	5.1e-05	Basic nitrogen compounds
650	15	25	0	1	0	4	219.21	3.5e-05	Basic nitrogen compounds
651	16	25	0	1	0	5	231.21	0.00016	Basic nitrogen compounds
652	17	25	0	1	0	6	243.21	0.00058	Basic nitrogen compounds
653	18	25	0	1	0	7	255.21	0.001517	Basic nitrogen compounds
654	19	25	0	1	0	8	267.21	0.004223	Basic nitrogen compounds
655	20	25	0	1	0	9	279.21	0.014073	Basic nitrogen compounds
656	21	25	0	1	0	10	291.21	0.020892	Basic nitrogen compounds
657	22	25	0	1	0	11	303.21	0.016097	Basic nitrogen compounds
658	23	25	0	1	0	12	315.21	0.014654	Basic nitrogen compounds
659	24	25	0	1	0	13	327.21	0.009324	Basic nitrogen compounds
660	25	25	0	1	0	14	339.21	0.004007	Basic nitrogen compounds
661	26	25	0	1	0	15	351.21	0.002019	Basic nitrogen compounds
662	27	25	0	1	0	16	363.21	0.001375	Basic nitrogen compounds
663	28	25	0	1	0	17	375.21	0.000495	Basic nitrogen compounds
664	29	25	0	1	0	18	387.21	0.00028	Basic nitrogen compounds
665	30	25	0	1	0	19	399.21	0.000126	Basic nitrogen compounds
666	22	26	1	2	0	11	334.228	3.3e-05	Basic nitrogen compounds
667	17	26	0	2	0	6	258.228	6e-05	Basic nitrogen compounds
668	18	26	0	2	0	7	270.228	0.000104	Basic nitrogen compounds
669	19	26	0	2	0	8	282.228	0.000286	Basic nitrogen compounds
670	20	26	0	2	0	9	294.228	0.000736	Basic nitrogen compounds
671	21	26	0	2	0	10	306.228	0.000935	Basic nitrogen compounds
672	22	26	0	2	0	11	318.228	0.000809	Basic nitrogen compounds
673	23	26	0	2	0	12	330.228	0.000743	Basic nitrogen compounds
674	24	26	0	2	0	13	342.228	0.000834	Basic nitrogen compounds
675	25	26	0	2	0	14	354.228	0.000517	Basic nitrogen compounds
676	26	26	0	2	0	15	366.228	0.000249	Basic nitrogen compounds
677	27	26	0	2	0	16	378.228	0.000286	Basic nitrogen compounds
678	28	26	0	2	0	17	390.228	0.000103	Basic nitrogen compounds
679	29	26	0	2	0	18	402.228	8.6e-05	Basic nitrogen compounds
680	30	26	0	2	0	19	414.228	3.6e-05	Basic nitrogen compounds
681	18	27	1	1	0	6	273.226	5.7e-05	Basic nitrogen compounds
682	19	27	1	1	0	7	285.226	0.000114	Basic nitrogen compounds
683	20	27	1	1	0	8	297.226	0.000119	Basic nitrogen compounds
684	21	27	1	1	0	9	309.226	0.000291	Basic nitrogen compounds
685	22	27	1	1	0	10	321.226	0.000364	Basic nitrogen compounds
686	23	27	1	1	0	11	333.226	0.000354	Basic nitrogen compounds
687	24	27	1	1	0	12	345.226	0.000331	Basic nitrogen compounds
688	25	27	1	1	0	13	357.226	0.00031	Basic nitrogen compounds
689	26	27	1	1	0	14	369.226	0.000194	Basic nitrogen compounds
690	27	27	1	1	0	15	381.226	0.000127	Basic nitrogen compounds
691	16	27	0	1	1	4	265.286	0.000117	Basic nitrogen compounds
692	17	27	0	1	1	5	277.286	0.000208	Basic nitrogen compounds
693	18	27	0	1	1	6	289.286	0.000632	Basic nitrogen compounds
694	19	27	0	1	1	7	301.286	0.000963	Basic nitrogen compounds
695	20	27	0	1	1	8	313.286	0.001213	Basic nitrogen compounds
696	21	27	0	1	1	9	325.286	0.002821	Basic nitrogen compounds
697	22	27	0	1	1	10	337.286	0.002282	Basic nitrogen compounds
698	23	27	0	1	1	11	349.286	0.002268	Basic nitrogen compounds
699	24	27	0	1	1	12	361.286	0.001515	Basic nitrogen compounds
700	25	27	0	1	1	13	373.286	0.001287	Basic nitrogen compounds
701	26	27	0	1	1	14	385.286	0.000775	Basic nitrogen compounds
702	27	27	0	1	1	15	397.286	0.000495	Basic nitrogen compounds
703	28	27	0	1	1	16	409.286	0.000273	Basic nitrogen compounds
704	29	27	0	1	1	17	421.286	0.000143	Basic nitrogen compounds
705	30	27	0	1	1	18	433.286	8e-05	Basic nitrogen compounds
706	31	27	0	1	1	19	445.286	6.4e-05	Basic nitrogen compounds
707	34	27	0	1	1	22	481.286	5.3e-05	Basic nitrogen compounds
708	16	27	0	1	0	4	233.226	3.7e-05	Basic nitrogen compounds
709	17	27	0	1	0	5	245.226	0.000246	Basic nitrogen compounds
710	18	27	0	1	0	6	257.226	0.0007	Basic nitrogen compounds
711	19	27	0	1	0	7	269.226	0.002225	Basic nitrogen compounds
712	20	27	0	1	0	8	281.226	0.005113	Basic nitrogen compounds
713	21	27	0	1	0	9	293.226	0.015484	Basic nitrogen compounds
714	22	27	0	1	0	10	305.226	0.021849	Basic nitrogen compounds
715	23	27	0	1	0	11	317.226	0.016708	Basic nitrogen compounds
716	24	27	0	1	0	12	329.226	0.014018	Basic nitrogen compounds
717	25	27	0	1	0	13	341.226	0.007344	Basic nitrogen compounds
718	26	27	0	1	0	14	353.226	0.004416	Basic nitrogen compounds
719	27	27	0	1	0	15	365.226	0.001889	Basic nitrogen compounds
720	28	27	0	1	0	16	377.226	0.001338	Basic nitrogen compounds
721	29	27	0	1	0	17	389.226	0.000492	Basic nitrogen compounds
722	30	27	0	1	0	18	401.226	0.000253	Basic nitrogen compounds
723	31	27	0	1	0	19	413.226	0.000123	Basic nitrogen compounds
724	22	28	1	2	0	10	336.244	3e-05	Basic nitrogen compounds
725	23	28	1	2	0	11	348.244	3.4e-05	Basic nitrogen compounds
726	18	28	0	2	0	6	272.244	6.6e-05	Basic nitrogen compounds
727	19	28	0	2	0	7	284.244	0.000154	Basic nitrogen compounds
728	20	28	0	2	0	8	296.244	0.000214	Basic nitrogen compounds
729	21	28	0	2	0	9	308.244	0.000655	Basic nitrogen compounds
730	22	28	0	2	0	10	320.244	0.000936	Basic nitrogen compounds
731	23	28	0	2	0	11	332.244	0.000776	Basic nitrogen compounds
732	24	28	0	2	0	12	344.244	0.000678	Basic nitrogen compounds
733	25	28	0	2	0	13	356.244	0.000663	Basic nitrogen compounds
734	26	28	0	2	0	14	368.244	0.000475	Basic nitrogen compounds
735	27	28	0	2	0	15	380.244	0.000222	Basic nitrogen compounds
736	28	28	0	2	0	16	392.244	0.00022	Basic nitrogen compounds
737	29	28	0	2	0	17	404.244	0.000105	Basic nitrogen compounds
738	30	28	0	2	0	18	416.244	6.6e-05	Basic nitrogen compounds
739	31	28	0	2	0	19	428.244	4.4e-05	Basic nitrogen compounds
740	18	29	1	1	0	5	275.242	3.7e-05	Basic nitrogen compounds
741	19	29	1	1	0	6	287.242	7.6e-05	Basic nitrogen compounds
742	20	29	1	1	0	7	299.242	0.000107	Basic nitrogen compounds
743	21	29	1	1	0	8	311.242	0.000236	Basic nitrogen compounds
744	22	29	1	1	0	9	323.242	0.000346	Basic nitrogen compounds
745	23	29	1	1	0	10	335.242	0.000318	Basic nitrogen compounds
746	24	29	1	1	0	11	347.242	0.000302	Basic nitrogen compounds
747	25	29	1	1	0	12	359.242	0.000317	Basic nitrogen compounds
748	26	29	1	1	0	13	371.242	0.000227	Basic nitrogen compounds
749	27	29	1	1	0	14	383.242	0.000178	Basic nitrogen compounds
750	28	29	1	1	0	15	395.242	0.000106	Basic nitrogen compounds
751	17	29	0	1	1	4	279.302	0.000157	Basic nitrogen compounds
752	18	29	0	1	1	5	291.302	0.000242	Basic nitrogen compounds
753	19	29	0	1	1	6	303.302	0.000955	Basic nitrogen compounds
754	20	29	0	1	1	7	315.302	0.001087	Basic nitrogen compounds
755	21	29	0	1	1	8	327.302	0.001351	Basic nitrogen compounds
756	22	29	0	1	1	9	339.302	0.00211	Basic nitrogen compounds
757	23	29	0	1	1	10	351.302	0.002224	Basic nitrogen compounds
758	24	29	0	1	1	11	363.302	0.00211	Basic nitrogen compounds
759	25	29	0	1	1	12	375.302	0.001171	Basic nitrogen compounds
760	26	29	0	1	1	13	387.302	0.001215	Basic nitrogen compounds
761	27	29	0	1	1	14	399.302	0.000616	Basic nitrogen compounds
762	28	29	0	1	1	15	411.302	0.00039	Basic nitrogen compounds
763	29	29	0	1	1	16	423.302	0.000204	Basic nitrogen compounds
764	30	29	0	1	1	17	435.302	0.000157	Basic nitrogen compounds
765	31	29	0	1	1	18	447.302	8.6e-05	Basic nitrogen compounds
766	32	29	0	1	1	19	459.302	5.1e-05	Basic nitrogen compounds
767	35	29	0	1	1	22	495.302	5.6e-05	Basic nitrogen compounds
768	17	29	0	1	0	4	247.242	7.4e-05	Basic nitrogen compounds
769	18	29	0	1	0	5	259.242	0.000361	Basic nitrogen compounds
770	19	29	0	1	0	6	271.242	0.000339	Basic nitrogen compounds
771	20	29	0	1	0	7	283.242	0.0032	Basic nitrogen compounds
772	21	29	0	1	0	8	295.242	0.008374	Basic nitrogen compounds
773	22	29	0	1	0	9	307.242	0.017621	Basic nitrogen compounds
774	23	29	0	1	0	10	319.242	0.018892	Basic nitrogen compounds
775	24	29	0	1	0	11	331.242	0.014482	Basic nitrogen compounds
776	25	29	0	1	0	12	343.242	0.011965	Basic nitrogen compounds
777	26	29	0	1	0	13	355.242	0.006902	Basic nitrogen compounds
778	27	29	0	1	0	14	367.242	0.003821	Basic nitrogen compounds
779	28	29	0	1	0	15	379.242	0.001717	Basic nitrogen compounds
780	29	29	0	1	0	16	391.242	0.000931	Basic nitrogen compounds
781	30	29	0	1	0	17	403.242	0.000543	Basic nitrogen compounds
782	31	29	0	1	0	18	415.242	0.000229	Basic nitrogen compounds
783	23	30	1	2	0	10	350.26	3.1e-05	Basic nitrogen compounds
784	24	30	1	2	0	11	362.26	3.2e-05	Basic nitrogen compounds
785	19	30	0	2	0	6	286.26	8.9e-05	Basic nitrogen compounds
786	20	30	0	2	0	7	298.26	0.000144	Basic nitrogen compounds
787	21	30	0	2	0	8	310.26	0.000256	Basic nitrogen compounds
788	22	30	0	2	0	9	322.26	0.000556	Basic nitrogen compounds
789	23	30	0	2	0	10	334.26	0.000648	Basic nitrogen compounds
790	24	30	0	2	0	11	346.26	0.000599	Basic nitrogen compounds
791	25	30	0	2	0	12	358.26	0.000562	Basic nitrogen compounds
792	26	30	0	2	0	13	370.26	0.000597	Basic nitrogen compounds
793	27	30	0	2	0	14	382.26	0.000459	Basic nitrogen compounds
794	28	30	0	2	0	15	394.26	0.000231	Basic nitrogen compounds
795	29	30	0	2	0	16	406.26	9.9e-05	Basic nitrogen compounds
796	30	30	0	2	0	17	418.26	8.8e-05	Basic nitrogen compounds
797	31	30	0	2	0	18	430.26	5.6e-05	Basic nitrogen compounds
798	19	31	1	1	0	5	289.258	4.3e-05	Basic nitrogen compounds
799	20	31	1	1	0	6	301.258	9.8e-05	Basic nitrogen compounds
800	21	31	1	1	0	7	313.258	0.000148	Basic nitrogen compounds
801	22	31	1	1	0	8	325.258	0.000201	Basic nitrogen compounds
802	23	31	1	1	0	9	337.258	0.000297	Basic nitrogen compounds
803	24	31	1	1	0	10	349.258	0.00037	Basic nitrogen compounds
804	25	31	1	1	0	11	361.258	0.00034	Basic nitrogen compounds
805	26	31	1	1	0	12	373.258	0.000328	Basic nitrogen compounds
806	27	31	1	1	0	13	385.258	0.000209	Basic nitrogen compounds
807	18	31	0	1	1	4	293.318	0.000184	Basic nitrogen compounds
808	19	31	0	1	1	5	305.318	0.000255	Basic nitrogen compounds
809	20	31	0	1	1	6	317.318	0.001326	Basic nitrogen compounds
810	21	31	0	1	1	7	329.318	0.001465	Basic nitrogen compounds
811	22	31	0	1	1	8	341.318	0.001301	Basic nitrogen compounds
812	23	31	0	1	1	9	353.318	0.002119	Basic nitrogen compounds
813	24	31	0	1	1	10	365.318	0.001815	Basic nitrogen compounds
814	25	31	0	1	1	11	377.318	0.001771	Basic nitrogen compounds
815	26	31	0	1	1	12	389.318	0.000938	Basic nitrogen compounds
816	27	31	0	1	1	13	401.318	0.000822	Basic nitrogen compounds
817	28	31	0	1	1	14	413.318	0.000486	Basic nitrogen compounds
818	29	31	0	1	1	15	425.318	0.000309	Basic nitrogen compounds
819	30	31	0	1	1	16	437.318	0.000168	Basic nitrogen compounds
820	18	31	0	1	0	4	261.258	0.000124	Basic nitrogen compounds
821	19	31	0	1	0	5	273.258	0.000425	Basic nitrogen compounds
822	20	31	0	1	0	6	285.258	0.001304	Basic nitrogen compounds
823	21	31	0	1	0	7	297.258	0.004726	Basic nitrogen compounds
824	22	31	0	1	0	8	309.258	0.011287	Basic nitrogen compounds
825	23	31	0	1	0	9	321.258	0.016446	Basic nitrogen compounds
826	24	31	0	1	0	10	333.258	0.017862	Basic nitrogen compounds
827	25	31	0	1	0	11	345.258	0.013101	Basic nitrogen compounds
828	26	31	0	1	0	12	357.258	0.011281	Basic nitrogen compounds
829	27	31	0	1	0	13	369.258	0.006847	Basic nitrogen compounds
830	28	31	0	1	0	14	381.258	0.003195	Basic nitrogen compounds
831	29	31	0	1	0	15	393.258	0.001679	Basic nitrogen compounds
832	30	31	0	1	0	16	405.258	0.000809	Basic nitrogen compounds
833	31	31	0	1	0	17	417.258	0.000404	Basic nitrogen compounds
834	32	31	0	1	0	18	429.258	0.000169	Basic nitrogen compounds
835	24	32	1	2	0	10	364.276	3.3e-05	Basic nitrogen compounds
836	20	32	0	2	0	6	300.276	0.000106	Basic nitrogen compounds
837	21	32	0	2	0	7	312.276	0.000162	Basic nitrogen compounds
838	22	32	0	2	0	8	324.276	0.00023	Basic nitrogen compounds
839	23	32	0	2	0	9	336.276	0.000556	Basic nitrogen compounds
840	24	32	0	2	0	10	348.276	0.000629	Basic nitrogen compounds
841	25	32	0	2	0	11	360.276	0.000567	Basic nitrogen compounds
842	26	32	0	2	0	12	372.276	0.000445	Basic nitrogen compounds
843	27	32	0	2	0	13	384.276	0.000405	Basic nitrogen compounds
844	28	32	0	2	0	14	396.276	0.000308	Basic nitrogen compounds
845	29	32	0	2	0	15	408.276	0.000164	Basic nitrogen compounds
846	30	32	0	2	0	16	420.276	0.000139	Basic nitrogen compounds
847	31	32	0	2	0	17	432.276	9.8e-05	Basic nitrogen compounds
848	19	33	1	1	0	4	291.274	3.2e-05	Basic nitrogen compounds
849	20	33	1	1	0	5	303.274	5.1e-05	Basic nitrogen compounds
850	21	33	1	1	0	6	315.274	9.5e-05	Basic nitrogen compounds
851	22	33	1	1	0	7	327.274	0.000205	Basic nitrogen compounds
852	23	33	1	1	0	8	339.274	0.000185	Basic nitrogen compounds
853	24	33	1	1	0	9	351.274	0.000293	Basic nitrogen compounds
854	25	33	1	1	0	10	363.274	0.000385	Basic nitrogen compounds
855	26	33	1	1	0	11	375.274	0.000292	Basic nitrogen compounds
856	27	33	1	1	0	12	387.274	0.000306	Basic nitrogen compounds
857	28	33	1	1	0	13	399.274	0.000191	Basic nitrogen compounds
858	18	33	0	1	1	3	295.334	0.000119	Basic nitrogen compounds
859	19	33	0	1	1	4	307.334	0.000321	Basic nitrogen compounds
860	20	33	0	1	1	5	319.334	0.000378	Basic nitrogen compounds
861	21	33	0	1	1	6	331.334	0.001558	Basic nitrogen compounds
862	22	33	0	1	1	7	343.334	0.001253	Basic nitrogen compounds
863	23	33	0	1	1	8	355.334	0.001348	Basic nitrogen compounds
864	24	33	0	1	1	9	367.334	0.001736	Basic nitrogen compounds
865	25	33	0	1	1	10	379.334	0.001403	Basic nitrogen compounds
866	26	33	0	1	1	11	391.334	0.001078	Basic nitrogen compounds
867	27	33	0	1	1	12	403.334	0.000926	Basic nitrogen compounds
868	28	33	0	1	1	13	415.334	0.000573	Basic nitrogen compounds
869	29	33	0	1	1	14	427.334	0.000355	Basic nitrogen compounds
870	30	33	0	1	1	15	439.334	0.00027	Basic nitrogen compounds
871	31	33	0	1	1	16	451.334	0.000117	Basic nitrogen compounds
872	19	33	0	1	0	4	275.274	0.000178	Basic nitrogen compounds
873	20	33	0	1	0	5	287.274	0.000679	Basic nitrogen compounds
874	21	33	0	1	0	6	299.274	0.001909	Basic nitrogen compounds
875	22	33	0	1	0	7	311.274	0.006857	Basic nitrogen compounds
876	23	33	0	1	0	8	323.274	0.014666	Basic nitrogen compounds
877	24	33	0	1	0	9	335.274	0.018076	Basic nitrogen compounds
878	25	33	0	1	0	10	347.274	0.018351	Basic nitrogen compounds
879	26	33	0	1	0	11	359.274	0.012643	Basic nitrogen compounds
880	27	33	0	1	0	12	371.274	0.008394	Basic nitrogen compounds
881	28	33	0	1	0	13	383.274	0.004592	Basic nitrogen compounds
882	29	33	0	1	0	14	395.274	0.002512	Basic nitrogen compounds
883	30	33	0	1	0	15	407.274	0.00063	Basic nitrogen compounds
884	31	33	0	1	0	16	419.274	0.000707	Basic nitrogen compounds
885	32	33	0	1	0	17	431.274	0.000331	Basic nitrogen compounds
886	33	33	0	1	0	18	443.274	0.000181	Basic nitrogen compounds
887	25	34	1	2	0	10	378.292	4.2e-05	Basic nitrogen compounds
888	21	34	0	2	0	6	314.292	9.4e-05	Basic nitrogen compounds
889	22	34	0	2	0	7	326.292	0.000185	Basic nitrogen compounds
890	23	34	0	2	0	8	338.292	0.000161	Basic nitrogen compounds
891	24	34	0	2	0	9	350.292	0.000482	Basic nitrogen compounds
892	25	34	0	2	0	10	362.292	0.000476	Basic nitrogen compounds
893	26	34	0	2	0	11	374.292	0.000394	Basic nitrogen compounds
894	27	34	0	2	0	12	386.292	0.000417	Basic nitrogen compounds
895	28	34	0	2	0	13	398.292	0.00032	Basic nitrogen compounds
896	29	34	0	2	0	14	410.292	0.000225	Basic nitrogen compounds
897	30	34	0	2	0	15	422.292	0.000141	Basic nitrogen compounds
898	31	34	0	2	0	16	434.292	0.000108	Basic nitrogen compounds
899	32	34	0	2	0	17	446.292	8.6e-05	Basic nitrogen compounds
900	20	35	1	1	0	4	305.29	2.7e-05	Basic nitrogen compounds
901	21	35	1	1	0	5	317.29	7e-05	Basic nitrogen compounds
902	22	35	1	1	0	6	329.29	0.000153	Basic nitrogen compounds
903	23	35	1	1	0	7	341.29	0.000207	Basic nitrogen compounds
904	24	35	1	1	0	8	353.29	0.000228	Basic nitrogen compounds
905	25	35	1	1	0	9	365.29	0.000293	Basic nitrogen compounds
906	26	35	1	1	0	10	377.29	0.000338	Basic nitrogen compounds
907	27	35	1	1	0	11	389.29	0.000238	Basic nitrogen compounds
908	28	35	1	1	0	12	401.29	0.000209	Basic nitrogen compounds
909	29	35	1	1	0	13	413.29	0.000163	Basic nitrogen compounds
910	19	35	0	1	1	3	309.35	0.000221	Basic nitrogen compounds
911	20	35	0	1	1	4	321.35	0.000324	Basic nitrogen compounds
912	21	35	0	1	1	5	333.35	0.000344	Basic nitrogen compounds
913	22	35	0	1	1	6	345.35	0.001676	Basic nitrogen compounds
914	23	35	0	1	1	7	357.35	0.001415	Basic nitrogen compounds
915	24	35	0	1	1	8	369.35	0.001324	Basic nitrogen compounds
916	25	35	0	1	1	9	381.35	0.001416	Basic nitrogen compounds
917	26	35	0	1	1	10	393.35	0.001186	Basic nitrogen compounds
918	27	35	0	1	1	11	405.35	0.000782	Basic nitrogen compounds
919	28	35	0	1	1	12	417.35	0.00058	Basic nitrogen compounds
920	29	35	0	1	1	13	429.35	0.000392	Basic nitrogen compounds
921	30	35	0	1	1	14	441.35	0.000247	Basic nitrogen compounds
922	31	35	0	1	1	15	453.35	0.000193	Basic nitrogen compounds
923	32	35	0	1	1	16	465.35	0.000105	Basic nitrogen compounds
924	20	35	0	1	0	4	289.29	0.000223	Basic nitrogen compounds
925	21	35	0	1	0	5	301.29	0.001035	Basic nitrogen compounds
926	22	35	0	1	0	6	313.29	0.002842	Basic nitrogen compounds
927	23	35	0	1	0	7	325.29	0.00964	Basic nitrogen compounds
928	24	35	0	1	0	8	337.29	0.011881	Basic nitrogen compounds
929	25	35	0	1	0	9	349.29	0.016779	Basic nitrogen compounds
930	26	35	0	1	0	10	361.29	0.014585	Basic nitrogen compounds
931	27	35	0	1	0	11	373.29	0.00955	Basic nitrogen compounds
932	28	35	0	1	0	12	385.29	0.006705	Basic nitrogen compounds
933	29	35	0	1	0	13	397.29	0.003512	Basic nitrogen compounds
934	30	35	0	1	0	14	409.29	0.001843	Basic nitrogen compounds
935	31	35	0	1	0	15	421.29	0.001059	Basic nitrogen compounds
936	32	35	0	1	0	16	433.29	0.000482	Basic nitrogen compounds
937	33	35	0	1	0	17	445.29	0.000257	Basic nitrogen compounds
938	26	36	1	2	0	10	392.308	4.2e-05	Basic nitrogen compounds
939	22	36	0	2	0	6	328.308	0.0001	Basic nitrogen compounds
940	23	36	0	2	0	7	340.308	0.000141	Basic nitrogen compounds
941	24	36	0	2	0	8	352.308	0.000198	Basic nitrogen compounds
942	25	36	0	2	0	9	364.308	0.000355	Basic nitrogen compounds
943	26	36	0	2	0	10	376.308	0.00042	Basic nitrogen compounds
944	27	36	0	2	0	11	388.308	0.00034	Basic nitrogen compounds
945	28	36	0	2	0	12	400.308	0.000295	Basic nitrogen compounds
946	29	36	0	2	0	13	412.308	0.000261	Basic nitrogen compounds
947	30	36	0	2	0	14	424.308	0.000189	Basic nitrogen compounds
948	31	36	0	2	0	15	436.308	0.000131	Basic nitrogen compounds
949	32	36	0	2	0	16	448.308	8.6e-05	Basic nitrogen compounds
950	33	36	0	2	0	17	460.308	9.2e-05	Basic nitrogen compounds
951	21	37	1	1	0	4	319.306	4.8e-05	Basic nitrogen compounds
952	22	37	1	1	0	5	331.306	7.7e-05	Basic nitrogen compounds
953	23	37	1	1	0	6	343.306	0.000158	Basic nitrogen compounds
954	24	37	1	1	0	7	355.306	0.000221	Basic nitrogen compounds
955	25	37	1	1	0	8	367.306	0.000214	Basic nitrogen compounds
956	26	37	1	1	0	9	379.306	0.000243	Basic nitrogen compounds
957	27	37	1	1	0	10	391.306	0.000265	Basic nitrogen compounds
958	28	37	1	1	0	11	403.306	0.000212	Basic nitrogen compounds
959	29	37	1	1	0	12	415.306	0.000167	Basic nitrogen compounds
960	30	37	1	1	0	13	427.306	0.000137	Basic nitrogen compounds
961	19	37	0	1	1	2	311.366	0.000108	Basic nitrogen compounds
962	20	37	0	1	1	3	323.366	0.00025	Basic nitrogen compounds
963	21	37	0	1	1	4	335.366	0.000351	Basic nitrogen compounds
964	22	37	0	1	1	5	347.366	0.000569	Basic nitrogen compounds
965	23	37	0	1	1	6	359.366	0.001694	Basic nitrogen compounds
966	24	37	0	1	1	7	371.366	0.000962	Basic nitrogen compounds
967	25	37	0	1	1	8	383.366	0.000847	Basic nitrogen compounds
968	26	37	0	1	1	9	395.366	0.001158	Basic nitrogen compounds
969	27	37	0	1	1	10	407.366	0.000414	Basic nitrogen compounds
970	28	37	0	1	1	11	419.366	0.000609	Basic nitrogen compounds
971	29	37	0	1	1	12	431.366	0.000374	Basic nitrogen compounds
972	30	37	0	1	1	13	443.366	0.000301	Basic nitrogen compounds
973	31	37	0	1	1	14	455.366	0.000265	Basic nitrogen compounds
974	32	37	0	1	1	15	467.366	0.000172	Basic nitrogen compounds
975	33	37	0	1	1	16	479.366	6.7e-05	Basic nitrogen compounds
976	21	37	0	1	0	4	303.306	0.000374	Basic nitrogen compounds
977	22	37	0	1	0	5	315.306	0.001526	Basic nitrogen compounds
978	23	37	0	1	0	6	327.306	0.004172	Basic nitrogen compounds
979	24	37	0	1	0	7	339.306	0.010497	Basic nitrogen compounds
980	25	37	0	1	0	8	351.306	0.014853	Basic nitrogen compounds
981	26	37	0	1	0	9	363.306	0.017261	Basic nitrogen compounds
982	27	37	0	1	0	10	375.306	0.012496	Basic nitrogen compounds
983	28	37	0	1	0	11	387.306	0.008815	Basic nitrogen compounds
984	29	37	0	1	0	12	399.306	0.004619	Basic nitrogen compounds
985	30	37	0	1	0	13	411.306	0.0025	Basic nitrogen compounds
986	31	37	0	1	0	14	423.306	0.001533	Basic nitrogen compounds
987	32	37	0	1	0	15	435.306	0.000801	Basic nitrogen compounds
988	33	37	0	1	0	16	447.306	0.000448	Basic nitrogen compounds
989	34	37	0	1	0	17	459.306	0.000235	Basic nitrogen compounds
990	35	37	0	1	0	18	471.306	0.000122	Basic nitrogen compounds
991	23	38	0	2	0	6	342.324	8.8e-05	Basic nitrogen compounds
992	24	38	0	2	0	7	354.324	0.000125	Basic nitrogen compounds
993	25	38	0	2	0	8	366.324	0.000155	Basic nitrogen compounds
994	26	38	0	2	0	9	378.324	0.000307	Basic nitrogen compounds
995	27	38	0	2	0	10	390.324	0.000277	Basic nitrogen compounds
996	28	38	0	2	0	11	402.324	0.000254	Basic nitrogen compounds
997	29	38	0	2	0	12	414.324	0.000207	Basic nitrogen compounds
998	30	38	0	2	0	13	426.324	0.000199	Basic nitrogen compounds
999	31	38	0	2	0	14	438.324	0.000158	Basic nitrogen compounds
1000	32	38	0	2	0	15	450.324	7.1e-05	Basic nitrogen compounds
1001	33	38	0	2	0	16	462.324	5.5e-05	Basic nitrogen compounds
1002	22	39	1	1	0	4	333.322	3.4e-05	Basic nitrogen compounds
1003	23	39	1	1	0	5	345.322	9.4e-05	Basic nitrogen compounds
1004	24	39	1	1	0	6	357.322	0.000166	Basic nitrogen compounds
1005	25	39	1	1	0	7	369.322	0.000202	Basic nitrogen compounds
1006	26	39	1	1	0	8	381.322	0.000221	Basic nitrogen compounds
1007	27	39	1	1	0	9	393.322	0.00026	Basic nitrogen compounds
1008	28	39	1	1	0	10	405.322	0.000155	Basic nitrogen compounds
1009	29	39	1	1	0	11	417.322	0.000182	Basic nitrogen compounds
1010	30	39	1	1	0	12	429.322	0.000128	Basic nitrogen compounds
1011	20	39	0	1	1	2	325.382	0.000201	Basic nitrogen compounds
1012	21	39	0	1	1	3	337.382	0.000488	Basic nitrogen compounds
1013	22	39	0	1	1	4	349.382	0.000581	Basic nitrogen compounds
1014	23	39	0	1	1	5	361.382	0.00052	Basic nitrogen compounds
1015	24	39	0	1	1	6	373.382	0.00151	Basic nitrogen compounds
1016	25	39	0	1	1	7	385.382	0.000869	Basic nitrogen compounds
1017	26	39	0	1	1	8	397.382	0.00065	Basic nitrogen compounds
1018	27	39	0	1	1	9	409.382	0.000798	Basic nitrogen compounds
1019	28	39	0	1	1	10	421.382	0.000662	Basic nitrogen compounds
1020	29	39	0	1	1	11	433.382	0.000402	Basic nitrogen compounds
1021	30	39	0	1	1	12	445.382	0.000298	Basic nitrogen compounds
1022	31	39	0	1	1	13	457.382	0.000199	Basic nitrogen compounds
1023	32	39	0	1	1	14	469.382	0.000147	Basic nitrogen compounds
1024	33	39	0	1	1	15	481.382	0.000115	Basic nitrogen compounds
1025	22	39	0	1	0	4	317.322	0.000695	Basic nitrogen compounds
1026	23	39	0	1	0	5	329.322	0.002789	Basic nitrogen compounds
1027	24	39	0	1	0	6	341.322	0.004942	Basic nitrogen compounds
1028	25	39	0	1	0	7	353.322	0.012273	Basic nitrogen compounds
1029	26	39	0	1	0	8	365.322	0.012734	Basic nitrogen compounds
1030	27	39	0	1	0	9	377.322	0.014437	Basic nitrogen compounds
1031	28	39	0	1	0	10	389.322	0.009137	Basic nitrogen compounds
1032	29	39	0	1	0	11	401.322	0.006738	Basic nitrogen compounds
1033	30	39	0	1	0	12	413.322	0.003257	Basic nitrogen compounds
1034	31	39	0	1	0	13	425.322	0.002026	Basic nitrogen compounds
1035	32	39	0	1	0	14	437.322	0.001327	Basic nitrogen compounds
1036	33	39	0	1	0	15	449.322	0.00057	Basic nitrogen compounds
1037	34	39	0	1	0	16	461.322	0.000342	Basic nitrogen compounds
1038	35	39	0	1	0	17	473.322	0.00015	Basic nitrogen compounds
1039	36	39	0	1	0	18	485.322	0.000132	Basic nitrogen compounds
1040	24	40	0	2	0	6	356.34	0.000117	Basic nitrogen compounds
1041	25	40	0	2	0	7	368.34	9.4e-05	Basic nitrogen compounds
1042	26	40	0	2	0	8	380.34	0.000118	Basic nitrogen compounds
1043	27	40	0	2	0	9	392.34	0.000278	Basic nitrogen compounds
1044	28	40	0	2	0	10	404.34	0.000271	Basic nitrogen compounds
1045	29	40	0	2	0	11	416.34	0.00019	Basic nitrogen compounds
1046	30	40	0	2	0	12	428.34	0.000142	Basic nitrogen compounds
1047	31	40	0	2	0	13	440.34	0.000134	Basic nitrogen compounds
1048	32	40	0	2	0	14	452.34	7.9e-05	Basic nitrogen compounds
1049	33	40	0	2	0	15	464.34	7.2e-05	Basic nitrogen compounds
1050	34	40	0	2	0	16	476.34	4.7e-05	Basic nitrogen compounds
1051	23	41	1	1	0	4	347.338	4.5e-05	Basic nitrogen compounds
1052	24	41	1	1	0	5	359.338	8.4e-05	Basic nitrogen compounds
1053	25	41	1	1	0	6	371.338	0.000139	Basic nitrogen compounds
1054	26	41	1	1	0	7	383.338	0.000187	Basic nitrogen compounds
1055	27	41	1	1	0	8	395.338	0.000174	Basic nitrogen compounds
1056	28	41	1	1	0	9	407.338	9.9e-05	Basic nitrogen compounds
1057	29	41	1	1	0	10	419.338	0.000199	Basic nitrogen compounds
1058	30	41	1	1	0	11	431.338	9.5e-05	Basic nitrogen compounds
1059	31	41	1	1	0	12	443.338	9.5e-05	Basic nitrogen compounds
1060	21	41	0	1	1	2	339.398	0.00022	Basic nitrogen compounds
1061	22	41	0	1	1	3	351.398	0.000502	Basic nitrogen compounds
1062	23	41	0	1	1	4	363.398	0.000538	Basic nitrogen compounds
1063	24	41	0	1	1	5	375.398	0.000428	Basic nitrogen compounds
1064	25	41	0	1	1	6	387.398	0.001334	Basic nitrogen compounds
1065	26	41	0	1	1	7	399.398	0.000647	Basic nitrogen compounds
1066	27	41	0	1	1	8	411.398	0.000479	Basic nitrogen compounds
1067	28	41	0	1	1	9	423.398	0.000605	Basic nitrogen compounds
1068	29	41	0	1	1	10	435.398	0.000489	Basic nitrogen compounds
1069	30	41	0	1	1	11	447.398	0.000321	Basic nitrogen compounds
1070	31	41	0	1	1	12	459.398	0.00021	Basic nitrogen compounds
1071	32	41	0	1	1	13	471.398	0.000146	Basic nitrogen compounds
1072	33	41	0	1	1	14	483.398	9e-05	Basic nitrogen compounds
1073	34	41	0	1	1	15	495.398	8.1e-05	Basic nitrogen compounds
1074	23	41	0	1	0	4	331.338	0.000951	Basic nitrogen compounds
1075	24	41	0	1	0	5	343.338	0.0035	Basic nitrogen compounds
1076	25	41	0	1	0	6	355.338	0.006269	Basic nitrogen compounds
1077	26	41	0	1	0	7	367.338	0.011061	Basic nitrogen compounds
1078	27	41	0	1	0	8	379.338	0.011373	Basic nitrogen compounds
1079	28	41	0	1	0	9	391.338	0.009264	Basic nitrogen compounds
1080	29	41	0	1	0	10	403.338	0.007212	Basic nitrogen compounds
1081	30	41	0	1	0	11	415.338	0.00394	Basic nitrogen compounds
1082	31	41	0	1	0	12	427.338	0.002366	Basic nitrogen compounds
1083	32	41	0	1	0	13	439.338	0.001778	Basic nitrogen compounds
1084	33	41	0	1	0	14	451.338	0.000756	Basic nitrogen compounds
1085	34	41	0	1	0	15	463.338	0.000396	Basic nitrogen compounds
1086	35	41	0	1	0	16	475.338	0.000247	Basic nitrogen compounds
1087	36	41	0	1	0	17	487.338	0.000107	Basic nitrogen compounds
1088	37	41	0	1	0	18	499.338	8.1e-05	Basic nitrogen compounds
1089	25	42	0	2	0	6	370.356	8.7e-05	Basic nitrogen compounds
1090	26	42	0	2	0	7	382.356	8.1e-05	Basic nitrogen compounds
1091	27	42	0	2	0	8	394.356	0.000117	Basic nitrogen compounds
1092	28	42	0	2	0	9	406.356	9.7e-05	Basic nitrogen compounds
1093	29	42	0	2	0	10	418.356	0.000177	Basic nitrogen compounds
1094	30	42	0	2	0	11	430.356	0.000152	Basic nitrogen compounds
1095	31	42	0	2	0	12	442.356	0.000113	Basic nitrogen compounds
1096	32	42	0	2	0	13	454.356	8.7e-05	Basic nitrogen compounds
1097	33	42	0	2	0	14	466.356	7.7e-05	Basic nitrogen compounds
1098	34	42	0	2	0	15	478.356	6.6e-05	Basic nitrogen compounds
1099	24	43	1	1	0	4	361.354	4.9e-05	Basic nitrogen compounds
1100	25	43	1	1	0	5	373.354	9.8e-05	Basic nitrogen compounds
1101	26	43	1	1	0	6	385.354	0.000116	Basic nitrogen compounds
1102	27	43	1	1	0	7	397.354	0.000132	Basic nitrogen compounds
1103	28	43	1	1	0	8	409.354	0.000146	Basic nitrogen compounds
1104	29	43	1	1	0	9	421.354	0.000151	Basic nitrogen compounds
1105	30	43	1	1	0	10	433.354	0.000127	Basic nitrogen compounds
1106	31	43	1	1	0	11	445.354	0.000117	Basic nitrogen compounds
1107	22	43	0	1	1	2	353.414	0.000415	Basic nitrogen compounds
1108	23	43	0	1	1	3	365.414	0.000467	Basic nitrogen compounds
1109	24	43	0	1	1	4	377.414	0.000452	Basic nitrogen compounds
1110	25	43	0	1	1	5	389.414	0.000346	Basic nitrogen compounds
1111	26	43	0	1	1	6	401.414	0.001124	Basic nitrogen compounds
1112	27	43	0	1	1	7	413.414	0.000508	Basic nitrogen compounds
1113	28	43	0	1	1	8	425.414	0.000437	Basic nitrogen compounds
1114	29	43	0	1	1	9	437.414	0.000595	Basic nitrogen compounds
1115	30	43	0	1	1	10	449.414	0.000351	Basic nitrogen compounds
1116	31	43	0	1	1	11	461.414	0.000249	Basic nitrogen compounds
1117	32	43	0	1	1	12	473.414	0.000162	Basic nitrogen compounds
1118	33	43	0	1	1	13	485.414	0.000127	Basic nitrogen compounds
1119	34	43	0	1	1	14	497.414	7.6e-05	Basic nitrogen compounds
1120	24	43	0	1	0	4	345.354	0.001466	Basic nitrogen compounds
1121	25	43	0	1	0	5	357.354	0.004654	Basic nitrogen compounds
1122	26	43	0	1	0	6	369.354	0.007486	Basic nitrogen compounds
1123	27	43	0	1	0	7	381.354	0.008736	Basic nitrogen compounds
1124	28	43	0	1	0	8	393.354	0.007959	Basic nitrogen compounds
1125	29	43	0	1	0	9	405.354	0.006251	Basic nitrogen compounds
1126	30	43	0	1	0	10	417.354	0.0043	Basic nitrogen compounds
1127	31	43	0	1	0	11	429.354	0.002612	Basic nitrogen compounds
1128	32	43	0	1	0	12	441.354	0.001775	Basic nitrogen compounds
1129	33	43	0	1	0	13	453.354	0.000901	Basic nitrogen compounds
1130	34	43	0	1	0	14	465.354	0.000515	Basic nitrogen compounds
1131	35	43	0	1	0	15	477.354	0.00035	Basic nitrogen compounds
1132	36	43	0	1	0	16	489.354	0.000161	Basic nitrogen compounds
1133	37	43	0	1	0	17	501.354	7.4e-05	Basic nitrogen compounds
1134	26	44	0	2	0	6	384.372	7.3e-05	Basic nitrogen compounds
1135	27	44	0	2	0	7	396.372	6.6e-05	Basic nitrogen compounds
1136	28	44	0	2	0	8	408.372	8.2e-05	Basic nitrogen compounds
1137	29	44	0	2	0	9	420.372	0.000151	Basic nitrogen compounds
1138	30	44	0	2	0	10	432.372	0.000113	Basic nitrogen compounds
1139	31	44	0	2	0	11	444.372	0.000109	Basic nitrogen compounds
1140	32	44	0	2	0	12	456.372	7.8e-05	Basic nitrogen compounds
1141	33	44	0	2	0	13	468.372	5.4e-05	Basic nitrogen compounds
1142	34	44	0	2	0	14	480.372	6.6e-05	Basic nitrogen compounds
1143	25	45	1	1	0	4	375.37	4.6e-05	Basic nitrogen compounds
1144	26	45	1	1	0	5	387.37	7.5e-05	Basic nitrogen compounds
1145	27	45	1	1	0	6	399.37	0.000117	Basic nitrogen compounds
1146	28	45	1	1	0	7	411.37	0.00013	Basic nitrogen compounds
1147	29	45	1	1	0	8	423.37	9.8e-05	Basic nitrogen compounds
1148	30	45	1	1	0	9	435.37	0.000106	Basic nitrogen compounds
1149	31	45	1	1	0	10	447.37	9.5e-05	Basic nitrogen compounds
1150	23	45	0	1	1	2	367.43	0.000392	Basic nitrogen compounds
1151	24	45	0	1	1	3	379.43	0.000414	Basic nitrogen compounds
1152	25	45	0	1	1	4	391.43	0.000199	Basic nitrogen compounds
1153	26	45	0	1	1	5	403.43	9.6e-05	Basic nitrogen compounds
1154	27	45	0	1	1	6	415.43	0.000601	Basic nitrogen compounds
1155	28	45	0	1	1	7	427.43	0.000433	Basic nitrogen compounds
1156	29	45	0	1	1	8	439.43	0.000416	Basic nitrogen compounds
1157	30	45	0	1	1	9	451.43	0.000264	Basic nitrogen compounds
1158	31	45	0	1	1	10	463.43	0.00026	Basic nitrogen compounds
1159	32	45	0	1	1	11	475.43	0.000187	Basic nitrogen compounds
1160	34	45	0	1	1	13	499.43	0.000112	Basic nitrogen compounds
1161	35	45	0	1	1	14	511.43	5.2e-05	Basic nitrogen compounds
1162	25	45	0	1	0	4	359.37	0.00165	Basic nitrogen compounds
1163	26	45	0	1	0	5	371.37	0.003928	Basic nitrogen compounds
1164	27	45	0	1	0	6	383.37	0.005784	Basic nitrogen compounds
1165	28	45	0	1	0	7	395.37	0.007356	Basic nitrogen compounds
1166	29	45	0	1	0	8	407.37	0.002356	Basic nitrogen compounds
1167	30	45	0	1	0	9	419.37	0.004886	Basic nitrogen compounds
1168	31	45	0	1	0	10	431.37	0.002979	Basic nitrogen compounds
1169	32	45	0	1	0	11	443.37	0.001818	Basic nitrogen compounds
1170	33	45	0	1	0	12	455.37	0.001485	Basic nitrogen compounds
1171	34	45	0	1	0	13	467.37	0.000843	Basic nitrogen compounds
1172	35	45	0	1	0	14	479.37	0.000379	Basic nitrogen compounds
1173	36	45	0	1	0	15	491.37	0.000199	Basic nitrogen compounds
1174	37	45	0	1	0	16	503.37	0.000111	Basic nitrogen compounds
1175	38	45	0	1	0	17	515.37	6.7e-05	Basic nitrogen compounds
1176	27	46	0	2	0	6	398.388	5.5e-05	Basic nitrogen compounds
1177	28	46	0	2	0	7	410.388	5.4e-05	Basic nitrogen compounds
1178	29	46	0	2	0	8	422.388	6.8e-05	Basic nitrogen compounds
1179	30	46	0	2	0	9	434.388	7.9e-05	Basic nitrogen compounds
1180	31	46	0	2	0	10	446.388	0.000105	Basic nitrogen compounds
1181	32	46	0	2	0	11	458.388	4.9e-05	Basic nitrogen compounds
1182	33	46	0	2	0	12	470.388	5.9e-05	Basic nitrogen compounds
1183	26	47	1	1	0	4	389.386	3.7e-05	Basic nitrogen compounds
1184	27	47	1	1	0	5	401.386	6.7e-05	Basic nitrogen compounds
1185	28	47	1	1	0	6	413.386	8.4e-05	Basic nitrogen compounds
1186	29	47	1	1	0	7	425.386	0.000111	Basic nitrogen compounds
1187	30	47	1	1	0	8	437.386	0.000109	Basic nitrogen compounds
1188	31	47	1	1	0	9	449.386	9.2e-05	Basic nitrogen compounds
1189	32	47	1	1	0	10	461.386	5.9e-05	Basic nitrogen compounds
1190	28	47	0	1	1	6	429.446	0.000411	Basic nitrogen compounds
1191	30	47	0	1	1	8	453.446	0.000213	Basic nitrogen compounds
1192	32	47	0	1	1	10	477.446	0.000175	Basic nitrogen compounds
1193	33	47	0	1	1	11	489.446	0.000133	Basic nitrogen compounds
1194	35	47	0	1	1	13	513.446	5.9e-05	Basic nitrogen compounds
1195	26	47	0	1	0	4	373.386	0.001745	Basic nitrogen compounds
1196	27	47	0	1	0	5	385.386	0.004193	Basic nitrogen compounds
1197	28	47	0	1	0	6	397.386	0.004703	Basic nitrogen compounds
1198	29	47	0	1	0	7	409.386	0.005508	Basic nitrogen compounds
1199	30	47	0	1	0	8	421.386	0.004574	Basic nitrogen compounds
1200	31	47	0	1	0	9	433.386	0.00319	Basic nitrogen compounds
1201	32	47	0	1	0	10	445.386	0.002234	Basic nitrogen compounds
1202	33	47	0	1	0	11	457.386	0.001448	Basic nitrogen compounds
1203	34	47	0	1	0	12	469.386	0.000775	Basic nitrogen compounds
1204	35	47	0	1	0	13	481.386	0.000466	Basic nitrogen compounds
1205	36	47	0	1	0	14	493.386	0.000294	Basic nitrogen compounds
1206	37	47	0	1	0	15	505.386	0.000121	Basic nitrogen compounds
1207	38	47	0	1	0	16	517.386	6.7e-05	Basic nitrogen compounds
1208	39	47	0	1	0	17	529.386	6.4e-05	Basic nitrogen compounds
1209	28	48	0	2	0	6	412.404	4.5e-05	Basic nitrogen compounds
1210	29	48	0	2	0	7	424.404	4.9e-05	Basic nitrogen compounds
1211	30	48	0	2	0	8	436.404	7.2e-05	Basic nitrogen compounds
1212	31	48	0	2	0	9	448.404	8e-05	Basic nitrogen compounds
1213	32	48	0	2	0	10	460.404	4.7e-05	Basic nitrogen compounds
1214	33	48	0	2	0	11	472.404	6.5e-05	Basic nitrogen compounds
1215	34	48	0	2	0	12	484.404	4.1e-05	Basic nitrogen compounds
1216	28	49	1	1	0	5	415.402	4.1e-05	Basic nitrogen compounds
1217	29	49	1	1	0	6	427.402	5.7e-05	Basic nitrogen compounds
1218	30	49	1	1	0	7	439.402	9.1e-05	Basic nitrogen compounds
1219	31	49	1	1	0	8	451.402	6.2e-05	Basic nitrogen compounds
1220	32	49	1	1	0	9	463.402	6.5e-05	Basic nitrogen compounds
1221	29	49	0	1	1	6	443.462	0.000311	Basic nitrogen compounds
1222	33	49	0	1	1	10	491.462	0.000133	Basic nitrogen compounds
1223	27	49	0	1	0	4	387.402	0.001488	Basic nitrogen compounds
1224	28	49	0	1	0	5	399.402	0.003281	Basic nitrogen compounds
1225	29	49	0	1	0	6	411.402	0.003583	Basic nitrogen compounds
1226	30	49	0	1	0	7	423.402	0.003995	Basic nitrogen compounds
1227	31	49	0	1	0	8	435.402	0.003186	Basic nitrogen compounds
1228	32	49	0	1	0	9	447.402	0.002345	Basic nitrogen compounds
1229	33	49	0	1	0	10	459.402	0.001438	Basic nitrogen compounds
1230	34	49	0	1	0	11	471.402	0.000963	Basic nitrogen compounds
1231	35	49	0	1	0	12	483.402	0.00053	Basic nitrogen compounds
1232	36	49	0	1	0	13	495.402	0.000299	Basic nitrogen compounds
1233	37	49	0	1	0	14	507.402	0.000188	Basic nitrogen compounds
1234	38	49	0	1	0	15	519.402	9.4e-05	Basic nitrogen compounds
1235	39	49	0	1	0	16	531.402	5.5e-05	Basic nitrogen compounds
1236	30	50	0	2	0	7	438.42	4.8e-05	Basic nitrogen compounds
1237	31	50	0	2	0	8	450.42	4.3e-05	Basic nitrogen compounds
1238	32	50	0	2	0	9	462.42	6.7e-05	Basic nitrogen compounds
1239	33	50	0	2	0	10	474.42	5.1e-05	Basic nitrogen compounds
1240	29	51	1	1	0	5	429.418	4e-05	Basic nitrogen compounds
1241	30	51	1	1	0	6	441.418	7.2e-05	Basic nitrogen compounds
1242	31	51	1	1	0	7	453.418	6.6e-05	Basic nitrogen compounds
1243	32	51	1	1	0	8	465.418	4.9e-05	Basic nitrogen compounds
1244	28	51	0	1	0	4	401.418	0.001402	Basic nitrogen compounds
1245	29	51	0	1	0	5	413.418	0.002479	Basic nitrogen compounds
1246	30	51	0	1	0	6	425.418	0.002746	Basic nitrogen compounds
1247	31	51	0	1	0	7	437.418	0.003138	Basic nitrogen compounds
1248	32	51	0	1	0	8	449.418	0.002278	Basic nitrogen compounds
1249	33	51	0	1	0	9	461.418	0.001549	Basic nitrogen compounds
1250	34	51	0	1	0	10	473.418	0.001059	Basic nitrogen compounds
1251	35	51	0	1	0	11	485.418	0.000753	Basic nitrogen compounds
1252	36	51	0	1	0	12	497.418	0.000391	Basic nitrogen compounds
1253	37	51	0	1	0	13	509.418	0.000218	Basic nitrogen compounds
1254	38	51	0	1	0	14	521.418	0.000107	Basic nitrogen compounds
1255	39	51	0	1	0	15	533.418	6.8e-05	Basic nitrogen compounds
1256	33	52	0	2	0	9	476.436	4.4e-05	Basic nitrogen compounds
1257	34	52	0	2	0	10	488.436	6.1e-05	Basic nitrogen compounds
1258	31	53	1	1	0	6	455.434	4.6e-05	Basic nitrogen compounds
1259	29	53	0	1	0	4	415.434	0.00104	Basic nitrogen compounds
1260	30	53	0	1	0	5	427.434	0.001827	Basic nitrogen compounds
1261	31	53	0	1	0	6	439.434	0.002289	Basic nitrogen compounds
1262	32	53	0	1	0	7	451.434	0.001901	Basic nitrogen compounds
1263	33	53	0	1	0	8	463.434	0.001495	Basic nitrogen compounds
1264	34	53	0	1	0	9	475.434	0.001045	Basic nitrogen compounds
1265	35	53	0	1	0	10	487.434	0.000675	Basic nitrogen compounds
1266	36	53	0	1	0	11	499.434	0.000487	Basic nitrogen compounds
1267	37	53	0	1	0	12	511.434	0.000247	Basic nitrogen compounds
1268	38	53	0	1	0	13	523.434	0.000154	Basic nitrogen compounds
1269	39	53	0	1	0	14	535.434	6.9e-05	Basic nitrogen compounds
1270	40	53	0	1	0	15	547.434	7.9e-05	Basic nitrogen compounds
1271	30	55	0	1	0	4	429.45	0.000778	Basic nitrogen compounds
1272	31	55	0	1	0	5	441.45	0.001467	Basic nitrogen compounds
1273	32	55	0	1	0	6	453.45	0.001313	Basic nitrogen compounds
1274	33	55	0	1	0	7	465.45	0.001309	Basic nitrogen compounds
1275	34	55	0	1	0	8	477.45	0.0013	Basic nitrogen compounds
1276	35	55	0	1	0	9	489.45	0.000744	Basic nitrogen compounds
1277	36	55	0	1	0	10	501.45	0.000455	Basic nitrogen compounds
1278	37	55	0	1	0	11	513.45	0.000278	Basic nitrogen compounds
1279	38	55	0	1	0	12	525.45	0.000163	Basic nitrogen compounds
1280	39	55	0	1	0	13	537.45	0.000108	Basic nitrogen compounds
1281	40	55	0	1	0	14	549.45	7.2e-05	Basic nitrogen compounds
1282	41	55	0	1	0	15	561.45	5.2e-05	Basic nitrogen compounds
1283	31	57	0	1	0	4	443.466	0.000572	Basic nitrogen compounds
1284	32	57	0	1	0	5	455.466	0.001066	Basic nitrogen compounds
1285	33	57	0	1	0	6	467.466	0.001169	Basic nitrogen compounds
1286	34	57	0	1	0	7	479.466	0.000867	Basic nitrogen compounds
1287	35	57	0	1	0	8	491.466	0.000649	Basic nitrogen compounds
1288	36	57	0	1	0	9	503.466	0.000497	Basic nitrogen compounds
1289	37	57	0	1	0	10	515.466	0.000316	Basic nitrogen compounds
1290	38	57	0	1	0	11	527.466	0.000172	Basic nitrogen compounds
1291	39	57	0	1	0	12	539.466	0.000116	Basic nitrogen compounds
1292	40	57	0	1	0	13	551.466	6.8e-05	Basic nitrogen compounds
1293	41	57	0	1	0	14	563.466	6.5e-05	Basic nitrogen compounds
1294	32	59	0	1	0	4	457.482	0.000473	Basic nitrogen compounds
1295	33	59	0	1	0	5	469.482	0.000572	Basic nitrogen compounds
1296	34	59	0	1	0	6	481.482	0.000687	Basic nitrogen compounds
1297	35	59	0	1	0	7	493.482	0.000747	Basic nitrogen compounds
1298	36	59	0	1	0	8	505.482	0.000405	Basic nitrogen compounds
1299	37	59	0	1	0	9	517.482	0.000319	Basic nitrogen compounds
1300	38	59	0	1	0	10	529.482	0.000251	Basic nitrogen compounds
1301	39	59	0	1	0	11	541.482	9.2e-05	Basic nitrogen compounds
1302	40	59	0	1	0	12	553.482	7.9e-05	Basic nitrogen compounds
1303	41	59	0	1	0	13	565.482	4.8e-05	Basic nitrogen compounds
1304	33	61	0	1	0	4	471.498	0.000308	Basic nitrogen compounds
1305	34	61	0	1	0	5	483.498	0.000404	Basic nitrogen compounds
1306	35	61	0	1	0	6	495.498	0.000416	Basic nitrogen compounds
1307	36	61	0	1	0	7	507.498	0.000431	Basic nitrogen compounds
1308	37	61	0	1	0	8	519.498	0.000331	Basic nitrogen compounds
1309	38	61	0	1	0	9	531.498	0.000236	Basic nitrogen compounds
1310	39	61	0	1	0	10	543.498	0.000126	Basic nitrogen compounds
1311	40	61	0	1	0	11	555.498	8e-05	Basic nitrogen compounds
1312	41	61	0	1	0	12	567.498	5.9e-05	Basic nitrogen compounds
1313	42	61	0	1	0	13	579.498	4.8e-05	Basic nitrogen compounds
1314	34	63	0	1	0	4	485.514	0.000219	Basic nitrogen compounds
1315	35	63	0	1	0	5	497.514	0.000265	Basic nitrogen compounds
1316	36	63	0	1	0	6	509.514	0.000233	Basic nitrogen compounds
1317	37	63	0	1	0	7	521.514	0.000236	Basic nitrogen compounds
1318	38	63	0	1	0	8	533.514	0.000184	Basic nitrogen compounds
1319	39	63	0	1	0	9	545.514	0.000171	Basic nitrogen compounds
1320	40	63	0	1	0	10	557.514	9e-05	Basic nitrogen compounds
1321	41	63	0	1	0	11	569.514	5.3e-05	Basic nitrogen compounds
1322	35	65	0	1	0	4	499.53	0.000124	Basic nitrogen compounds
1323	36	65	0	1	0	5	511.53	0.000178	Basic nitrogen compounds
1324	37	65	0	1	0	6	523.53	0.000186	Basic nitrogen compounds
1325	38	65	0	1	0	7	535.53	0.00018	Basic nitrogen compounds
1326	39	65	0	1	0	8	547.53	0.000145	Basic nitrogen compounds
1327	40	65	0	1	0	9	559.53	9.5e-05	Basic nitrogen compounds
1328	41	65	0	1	0	10	571.53	6.2e-05	Basic nitrogen compounds
1329	36	67	0	1	0	4	513.546	9e-05	Basic nitrogen compounds
1330	37	67	0	1	0	5	525.546	0.000135	Basic nitrogen compounds
1331	38	67	0	1	0	6	537.546	0.00012	Basic nitrogen compounds
1332	39	67	0	1	0	7	549.546	0.000108	Basic nitrogen compounds
1333	40	67	0	1	0	8	561.546	8.9e-05	Basic nitrogen compounds
1334	41	67	0	1	0	9	573.546	6.5e-05	Basic nitrogen compounds
1335	42	67	0	1	0	10	585.546	5.2e-05	Basic nitrogen compounds
1336	37	69	0	1	0	4	527.562	6.1e-05	Basic nitrogen compounds
1337	38	69	0	1	0	5	539.562	8.7e-05	Basic nitrogen compounds
1338	39	69	0	1	0	6	551.562	8.5e-05	Basic nitrogen compounds
1339	40	69	0	1	0	7	563.562	6.7e-05	Basic nitrogen compounds
1340	41	69	0	1	0	8	575.562	6.2e-05	Basic nitrogen compounds
1341	39	71	0	1	0	5	553.578	4.4e-05	Basic nitrogen compounds
1342	40	71	0	1	0	6	565.578	7.8e-05	Basic nitrogen compounds
1343	41	71	0	1	0	7	577.578	4.9e-05	Basic nitrogen compounds
1344	41	73	0	1	0	6	579.594	5.6e-05	Basic nitrogen compounds
1345	42	73	0	1	0	7	591.594	5.1e-05	Basic nitrogen compounds
1346	22	9	0	1	0	19	287.082	4e-05	Neutral nitrogen compounds
1347	25	9	0	1	0	22	323.082	4.4e-05	Neutral nitrogen compounds
1348	17	11	1	1	0	13	245.098	5.1e-05	Neutral nitrogen compounds
1349	18	11	1	1	0	14	257.098	0.000164	Neutral nitrogen compounds
1350	19	11	1	1	0	15	269.098	5.3e-05	Neutral nitrogen compounds
1351	17	11	2	1	0	13	261.098	5.5e-05	Neutral nitrogen compounds
1352	15	11	0	1	1	11	237.158	0.000611	Neutral nitrogen compounds
1353	16	11	0	1	1	12	249.158	8.8e-05	Neutral nitrogen compounds
1354	17	11	0	1	1	13	261.158	0.000152	Neutral nitrogen compounds
1355	18	11	0	1	1	14	273.158	0.000694	Neutral nitrogen compounds
1356	19	11	0	1	1	15	285.158	6.6e-05	Neutral nitrogen compounds
1357	20	11	0	1	1	16	297.158	9.9e-05	Neutral nitrogen compounds
1358	14	11	0	1	0	10	193.098	3e-05	Neutral nitrogen compounds
1359	16	11	0	1	0	12	217.098	0.000172	Neutral nitrogen compounds
1360	18	11	0	1	0	14	241.098	0.000416	Neutral nitrogen compounds
1361	20	11	0	1	0	16	265.098	9.7e-05	Neutral nitrogen compounds
1362	23	11	0	1	0	19	301.098	0.00031	Neutral nitrogen compounds
1363	24	11	0	1	0	20	313.098	8.3e-05	Neutral nitrogen compounds
1364	25	11	0	1	0	21	325.098	7.2e-05	Neutral nitrogen compounds
1365	26	11	0	1	0	22	337.098	7.9e-05	Neutral nitrogen compounds
1366	16	12	1	2	0	12	248.116	6.4e-05	Neutral nitrogen compounds
1367	19	12	0	2	0	15	268.116	4.3e-05	Neutral nitrogen compounds
1368	16	13	1	1	0	11	235.114	3.9e-05	Neutral nitrogen compounds
1369	17	13	1	1	0	12	247.114	0.00015	Neutral nitrogen compounds
1370	18	13	1	1	0	13	259.114	0.000148	Neutral nitrogen compounds
1371	19	13	1	1	0	14	271.114	0.0011	Neutral nitrogen compounds
1372	20	13	1	1	0	15	283.114	0.000114	Neutral nitrogen compounds
1373	21	13	1	1	0	16	295.114	9.6e-05	Neutral nitrogen compounds
1374	22	13	1	1	0	17	307.114	7.8e-05	Neutral nitrogen compounds
1375	18	13	2	1	0	13	275.114	8e-05	Neutral nitrogen compounds
1376	21	13	2	1	0	16	311.114	4.5e-05	Neutral nitrogen compounds
1377	14	13	0	1	1	9	227.174	3.2e-05	Neutral nitrogen compounds
1378	15	13	0	1	1	10	239.174	3.3e-05	Neutral nitrogen compounds
1379	16	13	0	1	1	11	251.174	0.003837	Neutral nitrogen compounds
1380	17	13	0	1	1	12	263.174	0.000361	Neutral nitrogen compounds
1381	18	13	0	1	1	13	275.174	0.000258	Neutral nitrogen compounds
1382	19	13	0	1	1	14	287.174	0.009589	Neutral nitrogen compounds
1383	20	13	0	1	1	15	299.174	0.000377	Neutral nitrogen compounds
1384	21	13	0	1	1	16	311.174	0.000496	Neutral nitrogen compounds
1385	22	13	0	1	1	17	323.174	0.000317	Neutral nitrogen compounds
1386	14	13	0	1	0	9	195.114	6.2e-05	Neutral nitrogen compounds
1387	15	13	0	1	0	10	207.114	7.7e-05	Neutral nitrogen compounds
1388	16	13	0	1	0	11	219.114	6.5e-05	Neutral nitrogen compounds
1389	17	13	0	1	0	12	231.114	0.001303	Neutral nitrogen compounds
1390	18	13	0	1	0	13	243.114	0.002931	Neutral nitrogen compounds
1391	19	13	0	1	0	14	255.114	0.002968	Neutral nitrogen compounds
1392	20	13	0	1	0	15	267.114	0.010029	Neutral nitrogen compounds
1393	21	13	0	1	0	16	279.114	0.000602	Neutral nitrogen compounds
1394	22	13	0	1	0	17	291.114	0.000742	Neutral nitrogen compounds
1395	23	13	0	1	0	18	303.114	4.9e-05	Neutral nitrogen compounds
1396	24	13	0	1	0	19	315.114	0.000982	Neutral nitrogen compounds
1397	25	13	0	1	0	20	327.114	0.000266	Neutral nitrogen compounds
1398	26	13	0	1	0	21	339.114	6.2e-05	Neutral nitrogen compounds
1399	27	13	0	1	0	22	351.114	7.3e-05	Neutral nitrogen compounds
1400	16	14	1	2	0	11	250.132	4.2e-05	Neutral nitrogen compounds
1401	17	14	1	2	0	12	262.132	0.000146	Neutral nitrogen compounds
1402	18	14	1	2	0	13	274.132	3.7e-05	Neutral nitrogen compounds
1403	19	14	1	2	0	14	286.132	5e-05	Neutral nitrogen compounds
1404	17	14	0	2	0	12	246.132	0.000467	Neutral nitrogen compounds
1405	18	14	0	2	0	13	258.132	7.7e-05	Neutral nitrogen compounds
1406	19	14	0	2	0	14	270.132	0.00018	Neutral nitrogen compounds
1407	20	14	0	2	0	15	282.132	0.000234	Neutral nitrogen compounds
1408	16	15	1	1	0	10	237.13	0.000109	Neutral nitrogen compounds
1409	17	15	1	1	0	11	249.13	0.000179	Neutral nitrogen compounds
1410	18	15	1	1	0	12	261.13	0.000311	Neutral nitrogen compounds
1411	19	15	1	1	0	13	273.13	0.000122	Neutral nitrogen compounds
1412	20	15	1	1	0	14	285.13	0.002652	Neutral nitrogen compounds
1413	21	15	1	1	0	15	297.13	0.00025	Neutral nitrogen compounds
1414	22	15	1	1	0	16	309.13	0.000148	Neutral nitrogen compounds
1415	23	15	1	1	0	17	321.13	0.000228	Neutral nitrogen compounds
1416	24	15	1	1	0	18	333.13	5.8e-05	Neutral nitrogen compounds
1417	16	15	2	1	0	10	253.13	3.8e-05	Neutral nitrogen compounds
1418	17	15	2	1	0	11	265.13	3.6e-05	Neutral nitrogen compounds
1419	18	15	2	1	0	12	277.13	5.7e-05	Neutral nitrogen compounds
1420	19	15	2	1	0	13	289.13	9.6e-05	Neutral nitrogen compounds
1421	20	15	2	1	0	14	301.13	4.9e-05	Neutral nitrogen compounds
1422	21	15	2	1	0	15	313.13	5e-05	Neutral nitrogen compounds
1423	22	15	2	1	0	16	325.13	4.8e-05	Neutral nitrogen compounds
1424	15	15	0	1	1	9	241.19	5.8e-05	Neutral nitrogen compounds
1425	16	15	0	1	1	10	253.19	8.8e-05	Neutral nitrogen compounds
1426	17	15	0	1	1	11	265.19	0.007399	Neutral nitrogen compounds
1427	18	15	0	1	1	12	277.19	0.001323	Neutral nitrogen compounds
1428	19	15	0	1	1	13	289.19	0.000463	Neutral nitrogen compounds
1429	20	15	0	1	1	14	301.19	0.021626	Neutral nitrogen compounds
1430	21	15	0	1	1	15	313.19	0.001477	Neutral nitrogen compounds
1431	22	15	0	1	1	16	325.19	0.000667	Neutral nitrogen compounds
1432	23	15	0	1	1	17	337.19	0.001064	Neutral nitrogen compounds
1433	24	15	0	1	1	18	349.19	0.000104	Neutral nitrogen compounds
1434	25	15	0	1	1	19	361.19	7.4e-05	Neutral nitrogen compounds
1435	15	15	0	1	0	9	209.13	0.000169	Neutral nitrogen compounds
1436	16	15	0	1	0	10	221.13	0.000231	Neutral nitrogen compounds
1437	17	15	0	1	0	11	233.13	0.000249	Neutral nitrogen compounds
1438	18	15	0	1	0	12	245.13	0.23363	Neutral nitrogen compounds
1439	19	15	0	1	0	13	257.13	0.02004	Neutral nitrogen compounds
1440	20	15	0	1	0	14	269.13	0.01156	Neutral nitrogen compounds
1441	21	15	0	1	0	15	281.13	0.047624	Neutral nitrogen compounds
1442	22	15	0	1	0	16	293.13	0.003441	Neutral nitrogen compounds
1443	23	15	0	1	0	17	305.13	0.003097	Neutral nitrogen compounds
1444	24	15	0	1	0	18	317.13	0.000818	Neutral nitrogen compounds
1445	25	15	0	1	0	19	329.13	0.000792	Neutral nitrogen compounds
1446	26	15	0	1	0	20	341.13	0.000251	Neutral nitrogen compounds
1447	27	15	0	1	0	21	353.13	5.5e-05	Neutral nitrogen compounds
1448	29	15	0	1	0	23	377.13	5.2e-05	Neutral nitrogen compounds
1449	15	16	1	2	0	9	240.148	4.6e-05	Neutral nitrogen compounds
1450	16	16	1	2	0	10	252.148	4.2e-05	Neutral nitrogen compounds
1451	17	16	1	2	0	11	264.148	5.5e-05	Neutral nitrogen compounds
1452	18	16	1	2	0	12	276.148	0.000254	Neutral nitrogen compounds
1453	19	16	1	2	0	13	288.148	8.2e-05	Neutral nitrogen compounds
1454	20	16	1	2	0	14	300.148	0.000135	Neutral nitrogen compounds
1455	21	16	1	2	0	15	312.148	7.7e-05	Neutral nitrogen compounds
1456	16	16	0	2	0	10	236.148	3.1e-05	Neutral nitrogen compounds
1457	17	16	0	2	0	11	248.148	0.0001	Neutral nitrogen compounds
1458	18	16	0	2	0	12	260.148	0.000894	Neutral nitrogen compounds
1459	19	16	0	2	0	13	272.148	0.000265	Neutral nitrogen compounds
1460	20	16	0	2	0	14	284.148	0.000377	Neutral nitrogen compounds
1461	21	16	0	2	0	15	296.148	0.000548	Neutral nitrogen compounds
1462	22	16	0	2	0	16	308.148	0.000126	Neutral nitrogen compounds
1463	23	16	0	2	0	17	320.148	0.000111	Neutral nitrogen compounds
1464	24	16	0	2	0	18	332.148	5.8e-05	Neutral nitrogen compounds
1465	16	17	1	1	0	9	239.146	7.3e-05	Neutral nitrogen compounds
1466	17	17	1	1	0	10	251.146	0.000206	Neutral nitrogen compounds
1467	18	17	1	1	0	11	263.146	0.000437	Neutral nitrogen compounds
1468	19	17	1	1	0	12	275.146	0.000349	Neutral nitrogen compounds
1469	20	17	1	1	0	13	287.146	0.000534	Neutral nitrogen compounds
1470	21	17	1	1	0	14	299.146	0.003467	Neutral nitrogen compounds
1471	22	17	1	1	0	15	311.146	0.000483	Neutral nitrogen compounds
1472	23	17	1	1	0	16	323.146	0.000149	Neutral nitrogen compounds
1473	24	17	1	1	0	17	335.146	0.000265	Neutral nitrogen compounds
1474	25	17	1	1	0	18	347.146	0.000146	Neutral nitrogen compounds
1475	17	17	2	1	0	10	267.146	4.5e-05	Neutral nitrogen compounds
1476	18	17	2	1	0	11	279.146	7.8e-05	Neutral nitrogen compounds
1477	19	17	2	1	0	12	291.146	6e-05	Neutral nitrogen compounds
1478	20	17	2	1	0	13	303.146	7.6e-05	Neutral nitrogen compounds
1479	21	17	2	1	0	14	315.146	4.8e-05	Neutral nitrogen compounds
1480	23	17	2	1	0	16	339.146	4.5e-05	Neutral nitrogen compounds
1481	15	17	0	1	1	8	243.206	9.1e-05	Neutral nitrogen compounds
1482	16	17	0	1	1	9	255.206	8e-05	Neutral nitrogen compounds
1483	17	17	0	1	1	10	267.206	0.000147	Neutral nitrogen compounds
1484	18	17	0	1	1	11	279.206	0.008806	Neutral nitrogen compounds
1485	19	17	0	1	1	12	291.206	0.002018	Neutral nitrogen compounds
1486	20	17	0	1	1	13	303.206	0.000517	Neutral nitrogen compounds
1487	21	17	0	1	1	14	315.206	0.022777	Neutral nitrogen compounds
1488	22	17	0	1	1	15	327.206	0.002779	Neutral nitrogen compounds
1489	23	17	0	1	1	16	339.206	0.000673	Neutral nitrogen compounds
1490	24	17	0	1	1	17	351.206	0.001332	Neutral nitrogen compounds
1491	25	17	0	1	1	18	363.206	0.000339	Neutral nitrogen compounds
1492	26	17	0	1	1	19	375.206	0.000103	Neutral nitrogen compounds
1493	16	17	0	1	0	9	223.146	0.000257	Neutral nitrogen compounds
1494	17	17	0	1	0	10	235.146	0.002878	Neutral nitrogen compounds
1495	18	17	0	1	0	11	247.146	0.002098	Neutral nitrogen compounds
1496	19	17	0	1	0	12	259.146	0.24431	Neutral nitrogen compounds
1497	20	17	0	1	0	13	271.146	0.054241	Neutral nitrogen compounds
1498	21	17	0	1	0	14	283.146	0.027192	Neutral nitrogen compounds
1499	22	17	0	1	0	15	295.146	0.07035	Neutral nitrogen compounds
1500	23	17	0	1	0	16	307.146	0.011132	Neutral nitrogen compounds
1501	24	17	0	1	0	17	319.146	0.005159	Neutral nitrogen compounds
1502	25	17	0	1	0	18	331.146	0.001796	Neutral nitrogen compounds
1503	26	17	0	1	0	19	343.146	0.000637	Neutral nitrogen compounds
1504	27	17	0	1	0	20	355.146	0.000251	Neutral nitrogen compounds
1505	29	17	0	1	0	22	379.146	5.7e-05	Neutral nitrogen compounds
1506	16	18	1	2	0	9	254.164	4.7e-05	Neutral nitrogen compounds
1507	17	18	1	2	0	10	266.164	4.3e-05	Neutral nitrogen compounds
1508	18	18	1	2	0	11	278.164	7.1e-05	Neutral nitrogen compounds
1509	19	18	1	2	0	12	290.164	0.000209	Neutral nitrogen compounds
1510	20	18	1	2	0	13	302.164	0.000103	Neutral nitrogen compounds
1511	21	18	1	2	0	14	314.164	0.000104	Neutral nitrogen compounds
1512	22	18	1	2	0	15	326.164	5.7e-05	Neutral nitrogen compounds
1513	16	18	0	2	0	9	238.164	7.8e-05	Neutral nitrogen compounds
1514	17	18	0	2	0	10	250.164	0.000165	Neutral nitrogen compounds
1515	18	18	0	2	0	11	262.164	0.000125	Neutral nitrogen compounds
1516	19	18	0	2	0	12	274.164	0.001157	Neutral nitrogen compounds
1517	20	18	0	2	0	13	286.164	0.000439	Neutral nitrogen compounds
1518	21	18	0	2	0	14	298.164	0.000624	Neutral nitrogen compounds
1519	22	18	0	2	0	15	310.164	0.000702	Neutral nitrogen compounds
1520	23	18	0	2	0	16	322.164	0.000177	Neutral nitrogen compounds
1521	24	18	0	2	0	17	334.164	0.00015	Neutral nitrogen compounds
1522	25	18	0	2	0	18	346.164	6.7e-05	Neutral nitrogen compounds
1523	16	19	1	1	0	8	241.162	4.8e-05	Neutral nitrogen compounds
1524	17	19	1	1	0	9	253.162	8.1e-05	Neutral nitrogen compounds
1525	18	19	1	1	0	10	265.162	0.000263	Neutral nitrogen compounds
1526	19	19	1	1	0	11	277.162	0.000583	Neutral nitrogen compounds
1527	20	19	1	1	0	12	289.162	0.000351	Neutral nitrogen compounds
1528	21	19	1	1	0	13	301.162	0.000636	Neutral nitrogen compounds
1529	22	19	1	1	0	14	313.162	0.003282	Neutral nitrogen compounds
1530	23	19	1	1	0	15	325.162	0.000379	Neutral nitrogen compounds
1531	24	19	1	1	0	16	337.162	0.000188	Neutral nitrogen compounds
1532	25	19	1	1	0	17	349.162	0.000342	Neutral nitrogen compounds
1533	26	19	1	1	0	18	361.162	0.000209	Neutral nitrogen compounds
1534	27	19	1	1	0	19	373.162	5e-05	Neutral nitrogen compounds
1535	18	19	2	1	0	10	281.162	4.1e-05	Neutral nitrogen compounds
1536	19	19	2	1	0	11	293.162	6.2e-05	Neutral nitrogen compounds
1537	20	19	2	1	0	12	305.162	5.8e-05	Neutral nitrogen compounds
1538	21	19	2	1	0	13	317.162	5.6e-05	Neutral nitrogen compounds
1539	22	19	2	1	0	14	329.162	5.8e-05	Neutral nitrogen compounds
1540	15	19	0	1	1	7	245.222	8.7e-05	Neutral nitrogen compounds
1541	16	19	0	1	1	8	257.222	0.000142	Neutral nitrogen compounds
1542	17	19	0	1	1	9	269.222	0.000133	Neutral nitrogen compounds
1543	18	19	0	1	1	10	281.222	0.000149	Neutral nitrogen compounds
1544	19	19	0	1	1	11	293.222	0.006148	Neutral nitrogen compounds
1545	20	19	0	1	1	12	305.222	0.003093	Neutral nitrogen compounds
1546	21	19	0	1	1	13	317.222	0.000508	Neutral nitrogen compounds
1547	22	19	0	1	1	14	329.222	0.011111	Neutral nitrogen compounds
1548	23	19	0	1	1	15	341.222	0.003195	Neutral nitrogen compounds
1549	24	19	0	1	1	16	353.222	0.000705	Neutral nitrogen compounds
1550	25	19	0	1	1	17	365.222	0.001375	Neutral nitrogen compounds
1551	26	19	0	1	1	18	377.222	0.000578	Neutral nitrogen compounds
1552	27	19	0	1	1	19	389.222	0.0001	Neutral nitrogen compounds
1553	17	19	0	1	0	9	237.162	0.008783	Neutral nitrogen compounds
1554	18	19	0	1	0	10	249.162	0.022949	Neutral nitrogen compounds
1555	19	19	0	1	0	11	261.162	0.004153	Neutral nitrogen compounds
1556	20	19	0	1	0	12	273.162	0.097527	Neutral nitrogen compounds
1557	21	19	0	1	0	13	285.162	0.083888	Neutral nitrogen compounds
1558	22	19	0	1	0	14	297.162	0.027998	Neutral nitrogen compounds
1559	23	19	0	1	0	15	309.162	0.050739	Neutral nitrogen compounds
1560	24	19	0	1	0	16	321.162	0.014796	Neutral nitrogen compounds
1561	25	19	0	1	0	17	333.162	0.004648	Neutral nitrogen compounds
1562	26	19	0	1	0	18	345.162	0.00201	Neutral nitrogen compounds
1563	27	19	0	1	0	19	357.162	0.000587	Neutral nitrogen compounds
1564	28	19	0	1	0	20	369.162	0.000208	Neutral nitrogen compounds
1565	29	19	0	1	0	21	381.162	7.7e-05	Neutral nitrogen compounds
1566	17	20	1	2	0	9	268.18	6.7e-05	Neutral nitrogen compounds
1567	18	20	1	2	0	10	280.18	6.4e-05	Neutral nitrogen compounds
1568	19	20	1	2	0	11	292.18	7e-05	Neutral nitrogen compounds
1569	20	20	1	2	0	12	304.18	0.000145	Neutral nitrogen compounds
1570	21	20	1	2	0	13	316.18	9.6e-05	Neutral nitrogen compounds
1571	22	20	1	2	0	14	328.18	6.7e-05	Neutral nitrogen compounds
1572	23	20	1	2	0	15	340.18	4.6e-05	Neutral nitrogen compounds
1573	17	20	0	2	0	9	252.18	0.000188	Neutral nitrogen compounds
1574	18	20	0	2	0	10	264.18	0.000272	Neutral nitrogen compounds
1575	19	20	0	2	0	11	276.18	0.000157	Neutral nitrogen compounds
1576	20	20	0	2	0	12	288.18	0.001039	Neutral nitrogen compounds
1577	21	20	0	2	0	13	300.18	0.000591	Neutral nitrogen compounds
1578	22	20	0	2	0	14	312.18	0.000651	Neutral nitrogen compounds
1579	23	20	0	2	0	15	324.18	0.000509	Neutral nitrogen compounds
1580	24	20	0	2	0	16	336.18	0.0002	Neutral nitrogen compounds
1581	25	20	0	2	0	17	348.18	0.000166	Neutral nitrogen compounds
1582	26	20	0	2	0	18	360.18	0.000108	Neutral nitrogen compounds
1583	17	21	1	1	0	8	255.178	5.9e-05	Neutral nitrogen compounds
1584	18	21	1	1	0	9	267.178	0.000105	Neutral nitrogen compounds
1585	19	21	1	1	0	10	279.178	0.000324	Neutral nitrogen compounds
1586	20	21	1	1	0	11	291.178	0.000445	Neutral nitrogen compounds
1587	21	21	1	1	0	12	303.178	0.00027	Neutral nitrogen compounds
1588	22	21	1	1	0	13	315.178	0.000767	Neutral nitrogen compounds
1589	23	21	1	1	0	14	327.178	0.002119	Neutral nitrogen compounds
1590	24	21	1	1	0	15	339.178	0.000356	Neutral nitrogen compounds
1591	25	21	1	1	0	16	351.178	0.000254	Neutral nitrogen compounds
1592	26	21	1	1	0	17	363.178	0.000262	Neutral nitrogen compounds
1593	27	21	1	1	0	18	375.178	0.000172	Neutral nitrogen compounds
1594	28	21	1	1	0	19	387.178	5.4e-05	Neutral nitrogen compounds
1595	31	21	1	1	0	22	423.178	6.2e-05	Neutral nitrogen compounds
1596	20	21	2	1	0	11	307.178	5.5e-05	Neutral nitrogen compounds
1597	21	21	2	1	0	12	319.178	4.5e-05	Neutral nitrogen compounds
1598	16	21	0	1	1	7	259.238	0.000172	Neutral nitrogen compounds
1599	17	21	0	1	1	8	271.238	0.000172	Neutral nitrogen compounds
1600	18	21	0	1	1	9	283.238	0.000141	Neutral nitrogen compounds
1601	19	21	0	1	1	10	295.238	0.000172	Neutral nitrogen compounds
1602	20	21	0	1	1	11	307.238	0.00442	Neutral nitrogen compounds
1603	21	21	0	1	1	12	319.238	0.002779	Neutral nitrogen compounds
1604	22	21	0	1	1	13	331.238	0.000552	Neutral nitrogen compounds
1605	23	21	0	1	1	14	343.238	0.005392	Neutral nitrogen compounds
1606	24	21	0	1	1	15	355.238	0.003094	Neutral nitrogen compounds
1607	25	21	0	1	1	16	367.238	0.000583	Neutral nitrogen compounds
1608	26	21	0	1	1	17	379.238	0.000735	Neutral nitrogen compounds
1609	27	21	0	1	1	18	391.238	0.000581	Neutral nitrogen compounds
1610	28	21	0	1	1	19	403.238	6.8e-05	Neutral nitrogen compounds
1611	17	21	0	1	0	8	239.178	5.2e-05	Neutral nitrogen compounds
1612	18	21	0	1	0	9	251.178	0.017571	Neutral nitrogen compounds
1613	19	21	0	1	0	10	263.178	0.024385	Neutral nitrogen compounds
1614	20	21	0	1	0	11	275.178	0.007904	Neutral nitrogen compounds
1615	21	21	0	1	0	12	287.178	0.09707	Neutral nitrogen compounds
1616	22	21	0	1	0	13	299.178	0.071864	Neutral nitrogen compounds
1617	23	21	0	1	0	14	311.178	0.023534	Neutral nitrogen compounds
1618	24	21	0	1	0	15	323.178	0.022682	Neutral nitrogen compounds
1619	25	21	0	1	0	16	335.178	0.010541	Neutral nitrogen compounds
1620	26	21	0	1	0	17	347.178	0.003594	Neutral nitrogen compounds
1621	27	21	0	1	0	18	359.178	0.002003	Neutral nitrogen compounds
1622	28	21	0	1	0	19	371.178	0.000737	Neutral nitrogen compounds
1623	29	21	0	1	0	20	383.178	0.000276	Neutral nitrogen compounds
1624	30	21	0	1	0	21	395.178	0.000121	Neutral nitrogen compounds
1625	18	22	1	2	0	9	282.196	5.3e-05	Neutral nitrogen compounds
1626	20	22	1	2	0	11	306.196	7.5e-05	Neutral nitrogen compounds
1627	21	22	1	2	0	12	318.196	0.000105	Neutral nitrogen compounds
1628	22	22	1	2	0	13	330.196	5.1e-05	Neutral nitrogen compounds
1629	18	22	0	2	0	9	266.196	0.000211	Neutral nitrogen compounds
1630	19	22	0	2	0	10	278.196	0.000373	Neutral nitrogen compounds
1631	20	22	0	2	0	11	290.196	0.000199	Neutral nitrogen compounds
1632	21	22	0	2	0	12	302.196	0.000817	Neutral nitrogen compounds
1633	22	22	0	2	0	13	314.196	0.000644	Neutral nitrogen compounds
1634	23	22	0	2	0	14	326.196	0.000437	Neutral nitrogen compounds
1635	24	22	0	2	0	15	338.196	0.000369	Neutral nitrogen compounds
1636	25	22	0	2	0	16	350.196	0.00022	Neutral nitrogen compounds
1637	26	22	0	2	0	17	362.196	0.000155	Neutral nitrogen compounds
1638	27	22	0	2	0	18	374.196	0.000103	Neutral nitrogen compounds
1639	17	23	1	1	0	7	257.194	4.4e-05	Neutral nitrogen compounds
1640	18	23	1	1	0	8	269.194	6.8e-05	Neutral nitrogen compounds
1641	19	23	1	1	0	9	281.194	0.000102	Neutral nitrogen compounds
1642	20	23	1	1	0	10	293.194	0.00027	Neutral nitrogen compounds
1643	21	23	1	1	0	11	305.194	0.00042	Neutral nitrogen compounds
1644	22	23	1	1	0	12	317.194	0.000256	Neutral nitrogen compounds
1645	23	23	1	1	0	13	329.194	0.000593	Neutral nitrogen compounds
1646	24	23	1	1	0	14	341.194	0.00116	Neutral nitrogen compounds
1647	25	23	1	1	0	15	353.194	0.000332	Neutral nitrogen compounds
1648	26	23	1	1	0	16	365.194	0.00018	Neutral nitrogen compounds
1649	27	23	1	1	0	17	377.194	0.000169	Neutral nitrogen compounds
1650	28	23	1	1	0	18	389.194	0.000158	Neutral nitrogen compounds
1651	29	23	1	1	0	19	401.194	6.4e-05	Neutral nitrogen compounds
1652	32	23	1	1	0	22	437.194	0.000112	Neutral nitrogen compounds
1653	34	23	1	1	0	24	461.194	8.6e-05	Neutral nitrogen compounds
1654	19	23	2	1	0	9	297.194	4e-05	Neutral nitrogen compounds
1655	17	23	0	1	1	7	273.254	5.7e-05	Neutral nitrogen compounds
1656	18	23	0	1	1	8	285.254	0.000155	Neutral nitrogen compounds
1657	19	23	0	1	1	9	297.254	0.000142	Neutral nitrogen compounds
1658	20	23	0	1	1	10	309.254	0.000229	Neutral nitrogen compounds
1659	21	23	0	1	1	11	321.254	0.002598	Neutral nitrogen compounds
1660	22	23	0	1	1	12	333.254	0.001662	Neutral nitrogen compounds
1661	23	23	0	1	1	13	345.254	0.000509	Neutral nitrogen compounds
1662	24	23	0	1	1	14	357.254	0.003114	Neutral nitrogen compounds
1663	25	23	0	1	1	15	369.254	0.002491	Neutral nitrogen compounds
1664	26	23	0	1	1	16	381.254	0.000493	Neutral nitrogen compounds
1665	27	23	0	1	1	17	393.254	0.000426	Neutral nitrogen compounds
1666	28	23	0	1	1	18	405.254	0.000503	Neutral nitrogen compounds
1667	29	23	0	1	1	19	417.254	0.00012	Neutral nitrogen compounds
1668	17	23	0	1	0	7	241.194	7.7e-05	Neutral nitrogen compounds
1669	18	23	0	1	0	8	253.194	0.000162	Neutral nitrogen compounds
1670	19	23	0	1	0	9	265.194	0.017181	Neutral nitrogen compounds
1671	20	23	0	1	0	10	277.194	0.027824	Neutral nitrogen compounds
1672	21	23	0	1	0	11	289.194	0.011955	Neutral nitrogen compounds
1673	22	23	0	1	0	12	301.194	0.052328	Neutral nitrogen compounds
1674	23	23	0	1	0	13	313.194	0.047822	Neutral nitrogen compounds
1675	24	23	0	1	0	14	325.194	0.014838	Neutral nitrogen compounds
1676	25	23	0	1	0	15	337.194	0.009609	Neutral nitrogen compounds
1677	26	23	0	1	0	16	349.194	0.008007	Neutral nitrogen compounds
1678	27	23	0	1	0	17	361.194	0.002833	Neutral nitrogen compounds
1679	28	23	0	1	0	18	373.194	0.001445	Neutral nitrogen compounds
1680	29	23	0	1	0	19	385.194	0.000639	Neutral nitrogen compounds
1681	30	23	0	1	0	20	397.194	0.000239	Neutral nitrogen compounds
1682	33	23	0	1	0	23	433.194	8.1e-05	Neutral nitrogen compounds
1683	20	24	1	2	0	10	308.212	5.1e-05	Neutral nitrogen compounds
1684	21	24	1	2	0	11	320.212	6e-05	Neutral nitrogen compounds
1685	22	24	1	2	0	12	332.212	7.9e-05	Neutral nitrogen compounds
1686	23	24	1	2	0	13	344.212	4.9e-05	Neutral nitrogen compounds
1687	18	24	0	2	0	8	268.212	3.6e-05	Neutral nitrogen compounds
1688	19	24	0	2	0	9	280.212	0.000222	Neutral nitrogen compounds
1689	20	24	0	2	0	10	292.212	0.000344	Neutral nitrogen compounds
1690	21	24	0	2	0	11	304.212	0.00023	Neutral nitrogen compounds
1691	22	24	0	2	0	12	316.212	0.000581	Neutral nitrogen compounds
1692	23	24	0	2	0	13	328.212	0.000424	Neutral nitrogen compounds
1693	24	24	0	2	0	14	340.212	0.000293	Neutral nitrogen compounds
1694	25	24	0	2	0	15	352.212	0.000277	Neutral nitrogen compounds
1695	26	24	0	2	0	16	364.212	0.000199	Neutral nitrogen compounds
1696	27	24	0	2	0	17	376.212	0.000114	Neutral nitrogen compounds
1697	28	24	0	2	0	18	388.212	0.00016	Neutral nitrogen compounds
1698	18	25	1	1	0	7	271.21	4.2e-05	Neutral nitrogen compounds
1699	19	25	1	1	0	8	283.21	5.5e-05	Neutral nitrogen compounds
1700	20	25	1	1	0	9	295.21	0.000101	Neutral nitrogen compounds
1701	21	25	1	1	0	10	307.21	0.000314	Neutral nitrogen compounds
1702	22	25	1	1	0	11	319.21	0.000334	Neutral nitrogen compounds
1703	23	25	1	1	0	12	331.21	0.000183	Neutral nitrogen compounds
1704	24	25	1	1	0	13	343.21	0.000411	Neutral nitrogen compounds
1705	25	25	1	1	0	14	355.21	0.000759	Neutral nitrogen compounds
1706	26	25	1	1	0	15	367.21	0.000278	Neutral nitrogen compounds
1707	27	25	1	1	0	16	379.21	0.000187	Neutral nitrogen compounds
1708	28	25	1	1	0	17	391.21	9.8e-05	Neutral nitrogen compounds
1709	29	25	1	1	0	18	403.21	0.000123	Neutral nitrogen compounds
1710	30	25	1	1	0	19	415.21	6.1e-05	Neutral nitrogen compounds
1711	33	25	1	1	0	22	451.21	0.00015	Neutral nitrogen compounds
1712	35	25	1	1	0	24	475.21	9.5e-05	Neutral nitrogen compounds
1713	36	25	1	1	0	25	487.21	0.000119	Neutral nitrogen compounds
1714	20	25	2	1	0	9	311.21	4.5e-05	Neutral nitrogen compounds
1715	18	25	0	1	1	7	287.27	3.8e-05	Neutral nitrogen compounds
1716	19	25	0	1	1	8	299.27	0.000121	Neutral nitrogen compounds
1717	20	25	0	1	1	9	311.27	0.000156	Neutral nitrogen compounds
1718	21	25	0	1	1	10	323.27	0.00015	Neutral nitrogen compounds
1719	22	25	0	1	1	11	335.27	0.001149	Neutral nitrogen compounds
1720	23	25	0	1	1	12	347.27	0.001101	Neutral nitrogen compounds
1721	24	25	0	1	1	13	359.27	0.000543	Neutral nitrogen compounds
1722	25	25	0	1	1	14	371.27	0.001574	Neutral nitrogen compounds
1723	26	25	0	1	1	15	383.27	0.001392	Neutral nitrogen compounds
1724	27	25	0	1	1	16	395.27	0.000372	Neutral nitrogen compounds
1725	28	25	0	1	1	17	407.27	0.00027	Neutral nitrogen compounds
1726	29	25	0	1	1	18	419.27	0.00035	Neutral nitrogen compounds
1727	30	25	0	1	1	19	431.27	0.000105	Neutral nitrogen compounds
1728	17	25	0	1	0	6	243.21	7.4e-05	Neutral nitrogen compounds
1729	18	25	0	1	0	7	255.21	0.000157	Neutral nitrogen compounds
1730	19	25	0	1	0	8	267.21	0.000318	Neutral nitrogen compounds
1731	20	25	0	1	0	9	279.21	0.021482	Neutral nitrogen compounds
1732	21	25	0	1	0	10	291.21	0.021439	Neutral nitrogen compounds
1733	22	25	0	1	0	11	303.21	0.014559	Neutral nitrogen compounds
1734	23	25	0	1	0	12	315.21	0.027782	Neutral nitrogen compounds
1735	24	25	0	1	0	13	327.21	0.021895	Neutral nitrogen compounds
1736	25	25	0	1	0	14	339.21	0.008562	Neutral nitrogen compounds
1737	26	25	0	1	0	15	351.21	0.005274	Neutral nitrogen compounds
1738	27	25	0	1	0	16	363.21	0.005152	Neutral nitrogen compounds
1739	28	25	0	1	0	17	375.21	0.001963	Neutral nitrogen compounds
1740	29	25	0	1	0	18	387.21	0.000945	Neutral nitrogen compounds
1741	30	25	0	1	0	19	399.21	0.000435	Neutral nitrogen compounds
1742	31	25	0	1	0	20	411.21	0.000175	Neutral nitrogen compounds
1743	32	25	0	1	0	21	423.21	0.000226	Neutral nitrogen compounds
1744	33	25	0	1	0	22	435.21	8.4e-05	Neutral nitrogen compounds
1745	35	25	0	1	0	24	459.21	0.000112	Neutral nitrogen compounds
1746	21	26	1	2	0	10	322.228	4.7e-05	Neutral nitrogen compounds
1747	22	26	1	2	0	11	334.228	4.7e-05	Neutral nitrogen compounds
1748	23	26	1	2	0	12	346.228	5.2e-05	Neutral nitrogen compounds
1749	19	26	0	2	0	8	282.228	4.4e-05	Neutral nitrogen compounds
1750	20	26	0	2	0	9	294.228	0.000215	Neutral nitrogen compounds
1751	21	26	0	2	0	10	306.228	0.000307	Neutral nitrogen compounds
1752	22	26	0	2	0	11	318.228	0.000192	Neutral nitrogen compounds
1753	23	26	0	2	0	12	330.228	0.000295	Neutral nitrogen compounds
1754	24	26	0	2	0	13	342.228	0.000285	Neutral nitrogen compounds
1755	25	26	0	2	0	14	354.228	0.000216	Neutral nitrogen compounds
1756	26	26	0	2	0	15	366.228	0.000238	Neutral nitrogen compounds
1757	27	26	0	2	0	16	378.228	0.00013	Neutral nitrogen compounds
1758	28	26	0	2	0	17	390.228	6.7e-05	Neutral nitrogen compounds
1759	29	26	0	2	0	18	402.228	0.000114	Neutral nitrogen compounds
1760	19	27	1	1	0	7	285.226	7.6e-05	Neutral nitrogen compounds
1761	20	27	1	1	0	8	297.226	4.6e-05	Neutral nitrogen compounds
1762	21	27	1	1	0	9	309.226	0.000127	Neutral nitrogen compounds
1763	22	27	1	1	0	10	321.226	0.000228	Neutral nitrogen compounds
1764	23	27	1	1	0	11	333.226	0.000198	Neutral nitrogen compounds
1765	24	27	1	1	0	12	345.226	0.00017	Neutral nitrogen compounds
1766	25	27	1	1	0	13	357.226	0.000388	Neutral nitrogen compounds
1767	26	27	1	1	0	14	369.226	0.000534	Neutral nitrogen compounds
1768	27	27	1	1	0	15	381.226	0.00017	Neutral nitrogen compounds
1769	28	27	1	1	0	16	393.226	0.000124	Neutral nitrogen compounds
1770	34	27	1	1	0	22	465.226	0.000165	Neutral nitrogen compounds
1771	35	27	1	1	0	23	477.226	8.1e-05	Neutral nitrogen compounds
1772	36	27	1	1	0	24	489.226	0.000104	Neutral nitrogen compounds
1773	37	27	1	1	0	25	501.226	9.3e-05	Neutral nitrogen compounds
1774	19	27	0	1	1	7	301.286	6.9e-05	Neutral nitrogen compounds
1775	20	27	0	1	1	8	313.286	0.00012	Neutral nitrogen compounds
1776	21	27	0	1	1	9	325.286	0.000128	Neutral nitrogen compounds
1777	22	27	0	1	1	10	337.286	0.000102	Neutral nitrogen compounds
1778	23	27	0	1	1	11	349.286	0.000869	Neutral nitrogen compounds
1779	24	27	0	1	1	12	361.286	0.000857	Neutral nitrogen compounds
1780	25	27	0	1	1	13	373.286	0.000397	Neutral nitrogen compounds
1781	26	27	0	1	1	14	385.286	0.000824	Neutral nitrogen compounds
1782	27	27	0	1	1	15	397.286	0.000858	Neutral nitrogen compounds
1783	29	27	0	1	1	17	421.286	0.000177	Neutral nitrogen compounds
1784	30	27	0	1	1	18	433.286	0.000198	Neutral nitrogen compounds
1785	31	27	0	1	1	19	445.286	8.3e-05	Neutral nitrogen compounds
1786	18	27	0	1	0	6	257.226	0.000134	Neutral nitrogen compounds
1787	19	27	0	1	0	7	269.226	0.000268	Neutral nitrogen compounds
1788	20	27	0	1	0	8	281.226	0.000518	Neutral nitrogen compounds
1789	21	27	0	1	0	9	293.226	0.018878	Neutral nitrogen compounds
1790	22	27	0	1	0	10	305.226	0.017426	Neutral nitrogen compounds
1791	23	27	0	1	0	11	317.226	0.011697	Neutral nitrogen compounds
1792	24	27	0	1	0	12	329.226	0.014148	Neutral nitrogen compounds
1793	25	27	0	1	0	13	341.226	0.010804	Neutral nitrogen compounds
1794	26	27	0	1	0	14	353.226	0.007107	Neutral nitrogen compounds
1795	27	27	0	1	0	15	365.226	0.003661	Neutral nitrogen compounds
1796	28	27	0	1	0	16	377.226	0.002887	Neutral nitrogen compounds
1797	29	27	0	1	0	17	389.226	0.001291	Neutral nitrogen compounds
1798	30	27	0	1	0	18	401.226	0.00064	Neutral nitrogen compounds
1799	31	27	0	1	0	19	413.226	0.000259	Neutral nitrogen compounds
1800	32	27	0	1	0	20	425.226	0.00017	Neutral nitrogen compounds
1801	33	27	0	1	0	21	437.226	0.000238	Neutral nitrogen compounds
1802	34	27	0	1	0	22	449.226	0.000111	Neutral nitrogen compounds
1803	35	27	0	1	0	23	461.226	8.7e-05	Neutral nitrogen compounds
1804	36	27	0	1	0	24	473.226	0.000132	Neutral nitrogen compounds
1805	24	28	1	2	0	12	360.244	6.4e-05	Neutral nitrogen compounds
1806	20	28	0	2	0	8	296.244	5.9e-05	Neutral nitrogen compounds
1807	21	28	0	2	0	9	308.244	0.000252	Neutral nitrogen compounds
1808	22	28	0	2	0	10	320.244	0.000273	Neutral nitrogen compounds
1809	23	28	0	2	0	11	332.244	0.000184	Neutral nitrogen compounds
1810	24	28	0	2	0	12	344.244	0.000296	Neutral nitrogen compounds
1811	25	28	0	2	0	13	356.244	0.00026	Neutral nitrogen compounds
1812	26	28	0	2	0	14	368.244	0.000174	Neutral nitrogen compounds
1813	27	28	0	2	0	15	380.244	0.000137	Neutral nitrogen compounds
1814	28	28	0	2	0	16	392.244	0.000102	Neutral nitrogen compounds
1815	30	28	0	2	0	18	416.244	0.000112	Neutral nitrogen compounds
1816	20	29	1	1	0	7	299.242	4.4e-05	Neutral nitrogen compounds
1817	21	29	1	1	0	8	311.242	6.7e-05	Neutral nitrogen compounds
1818	22	29	1	1	0	9	323.242	7.3e-05	Neutral nitrogen compounds
1819	23	29	1	1	0	10	335.242	0.000166	Neutral nitrogen compounds
1820	24	29	1	1	0	11	347.242	0.000188	Neutral nitrogen compounds
1821	25	29	1	1	0	12	359.242	0.000131	Neutral nitrogen compounds
1822	26	29	1	1	0	13	371.242	0.000294	Neutral nitrogen compounds
1823	27	29	1	1	0	14	383.242	0.00027	Neutral nitrogen compounds
1824	28	29	1	1	0	15	395.242	0.000103	Neutral nitrogen compounds
1825	29	29	1	1	0	16	407.242	9e-05	Neutral nitrogen compounds
1826	35	29	1	1	0	22	479.242	0.000145	Neutral nitrogen compounds
1827	36	29	1	1	0	23	491.242	9.2e-05	Neutral nitrogen compounds
1828	37	29	1	1	0	24	503.242	9.9e-05	Neutral nitrogen compounds
1829	38	29	1	1	0	25	515.242	7.4e-05	Neutral nitrogen compounds
1830	20	29	0	1	1	7	315.302	8.7e-05	Neutral nitrogen compounds
1831	21	29	0	1	1	8	327.302	7.3e-05	Neutral nitrogen compounds
1832	22	29	0	1	1	9	339.302	8.5e-05	Neutral nitrogen compounds
1833	23	29	0	1	1	10	351.302	7.7e-05	Neutral nitrogen compounds
1834	24	29	0	1	1	11	363.302	0.00059	Neutral nitrogen compounds
1835	25	29	0	1	1	12	375.302	0.000536	Neutral nitrogen compounds
1836	26	29	0	1	1	13	387.302	0.000301	Neutral nitrogen compounds
1837	27	29	0	1	1	14	399.302	0.000585	Neutral nitrogen compounds
1838	28	29	0	1	1	15	411.302	0.000464	Neutral nitrogen compounds
1839	29	29	0	1	1	16	423.302	0.000192	Neutral nitrogen compounds
1840	30	29	0	1	1	17	435.302	0.000127	Neutral nitrogen compounds
1841	31	29	0	1	1	18	447.302	8.7e-05	Neutral nitrogen compounds
1842	19	29	0	1	0	6	271.242	0.000224	Neutral nitrogen compounds
1843	20	29	0	1	0	7	283.242	0.000426	Neutral nitrogen compounds
1844	21	29	0	1	0	8	295.242	0.000668	Neutral nitrogen compounds
1845	22	29	0	1	0	9	307.242	0.017848	Neutral nitrogen compounds
1846	23	29	0	1	0	10	319.242	0.011672	Neutral nitrogen compounds
1847	24	29	0	1	0	11	331.242	0.007607	Neutral nitrogen compounds
1848	25	29	0	1	0	12	343.242	0.008546	Neutral nitrogen compounds
1849	26	29	0	1	0	13	355.242	0.007174	Neutral nitrogen compounds
1850	27	29	0	1	0	14	367.242	0.004615	Neutral nitrogen compounds
1851	28	29	0	1	0	15	379.242	0.002485	Neutral nitrogen compounds
1852	29	29	0	1	0	16	391.242	0.001668	Neutral nitrogen compounds
1853	30	29	0	1	0	17	403.242	0.000827	Neutral nitrogen compounds
1854	31	29	0	1	0	18	415.242	0.000466	Neutral nitrogen compounds
1855	32	29	0	1	0	19	427.242	0.000206	Neutral nitrogen compounds
1856	33	29	0	1	0	20	439.242	0.000132	Neutral nitrogen compounds
1857	34	29	0	1	0	21	451.242	0.000239	Neutral nitrogen compounds
1858	35	29	0	1	0	22	463.242	0.000149	Neutral nitrogen compounds
1859	36	29	0	1	0	23	475.242	0.000143	Neutral nitrogen compounds
1860	37	29	0	1	0	24	487.242	0.000155	Neutral nitrogen compounds
1861	20	30	0	2	0	7	298.26	5.9e-05	Neutral nitrogen compounds
1862	21	30	0	2	0	8	310.26	0.000106	Neutral nitrogen compounds
1863	22	30	0	2	0	9	322.26	0.000216	Neutral nitrogen compounds
1864	23	30	0	2	0	10	334.26	0.000185	Neutral nitrogen compounds
1865	24	30	0	2	0	11	346.26	0.000172	Neutral nitrogen compounds
1866	25	30	0	2	0	12	358.26	0.000228	Neutral nitrogen compounds
1867	26	30	0	2	0	13	370.26	0.000196	Neutral nitrogen compounds
1868	27	30	0	2	0	14	382.26	0.000135	Neutral nitrogen compounds
1869	28	30	0	2	0	15	394.26	6.5e-05	Neutral nitrogen compounds
1870	29	30	0	2	0	16	406.26	6.3e-05	Neutral nitrogen compounds
1871	31	30	0	2	0	18	430.26	8e-05	Neutral nitrogen compounds
1872	21	31	1	1	0	7	313.258	6.1e-05	Neutral nitrogen compounds
1873	22	31	1	1	0	8	325.258	4.4e-05	Neutral nitrogen compounds
1874	23	31	1	1	0	9	337.258	5.8e-05	Neutral nitrogen compounds
1875	24	31	1	1	0	10	349.258	0.000113	Neutral nitrogen compounds
1876	25	31	1	1	0	11	361.258	0.00016	Neutral nitrogen compounds
1877	26	31	1	1	0	12	373.258	7.6e-05	Neutral nitrogen compounds
1878	27	31	1	1	0	13	385.258	0.000232	Neutral nitrogen compounds
1879	28	31	1	1	0	14	397.258	0.000205	Neutral nitrogen compounds
1880	30	31	1	1	0	16	421.258	9.4e-05	Neutral nitrogen compounds
1881	36	31	1	1	0	22	493.258	9.5e-05	Neutral nitrogen compounds
1882	21	31	0	1	1	7	329.318	5.3e-05	Neutral nitrogen compounds
1883	22	31	0	1	1	8	341.318	7.4e-05	Neutral nitrogen compounds
1884	23	31	0	1	1	9	353.318	9.6e-05	Neutral nitrogen compounds
1885	24	31	0	1	1	10	365.318	8.6e-05	Neutral nitrogen compounds
1886	25	31	0	1	1	11	377.318	0.000433	Neutral nitrogen compounds
1887	26	31	0	1	1	12	389.318	0.000324	Neutral nitrogen compounds
1888	27	31	0	1	1	13	401.318	0.000212	Neutral nitrogen compounds
1889	28	31	0	1	1	14	413.318	0.000297	Neutral nitrogen compounds
1890	29	31	0	1	1	15	425.318	0.000279	Neutral nitrogen compounds
1891	30	31	0	1	1	16	437.318	0.000124	Neutral nitrogen compounds
1892	31	31	0	1	1	17	449.318	6.6e-05	Neutral nitrogen compounds
1893	20	31	0	1	0	6	285.258	0.00037	Neutral nitrogen compounds
1894	21	31	0	1	0	7	297.258	0.000526	Neutral nitrogen compounds
1895	22	31	0	1	0	8	309.258	0.000828	Neutral nitrogen compounds
1896	23	31	0	1	0	9	321.258	0.013555	Neutral nitrogen compounds
1897	24	31	0	1	0	10	333.258	0.007307	Neutral nitrogen compounds
1898	25	31	0	1	0	11	345.258	0.005178	Neutral nitrogen compounds
1899	26	31	0	1	0	12	357.258	0.007626	Neutral nitrogen compounds
1900	27	31	0	1	0	13	369.258	0.005239	Neutral nitrogen compounds
1901	28	31	0	1	0	14	381.258	0.003161	Neutral nitrogen compounds
1902	29	31	0	1	0	15	393.258	0.001627	Neutral nitrogen compounds
1903	30	31	0	1	0	16	405.258	0.000997	Neutral nitrogen compounds
1904	31	31	0	1	0	17	417.258	0.00054	Neutral nitrogen compounds
1905	32	31	0	1	0	18	429.258	0.000305	Neutral nitrogen compounds
1906	33	31	0	1	0	19	441.258	0.000153	Neutral nitrogen compounds
1907	34	31	0	1	0	20	453.258	0.000111	Neutral nitrogen compounds
1908	35	31	0	1	0	21	465.258	0.000141	Neutral nitrogen compounds
1909	36	31	0	1	0	22	477.258	0.000152	Neutral nitrogen compounds
1910	37	31	0	1	0	23	489.258	0.000135	Neutral nitrogen compounds
1911	38	31	0	1	0	24	501.258	0.000133	Neutral nitrogen compounds
1912	20	32	0	2	0	6	300.276	6.6e-05	Neutral nitrogen compounds
1913	21	32	0	2	0	7	312.276	8.2e-05	Neutral nitrogen compounds
1914	22	32	0	2	0	8	324.276	6.5e-05	Neutral nitrogen compounds
1915	23	32	0	2	0	9	336.276	0.000136	Neutral nitrogen compounds
1916	24	32	0	2	0	10	348.276	0.000159	Neutral nitrogen compounds
1917	25	32	0	2	0	11	360.276	0.000141	Neutral nitrogen compounds
1918	26	32	0	2	0	12	372.276	0.00018	Neutral nitrogen compounds
1919	27	32	0	2	0	13	384.276	0.000143	Neutral nitrogen compounds
1920	28	32	0	2	0	14	396.276	8.2e-05	Neutral nitrogen compounds
1921	30	32	0	2	0	16	420.276	6e-05	Neutral nitrogen compounds
1922	22	33	1	1	0	7	327.274	5.5e-05	Neutral nitrogen compounds
1923	23	33	1	1	0	8	339.274	4.7e-05	Neutral nitrogen compounds
1924	25	33	1	1	0	10	363.274	0.000121	Neutral nitrogen compounds
1925	26	33	1	1	0	11	375.274	0.000101	Neutral nitrogen compounds
1926	28	33	1	1	0	13	399.274	0.000132	Neutral nitrogen compounds
1927	29	33	1	1	0	14	411.274	0.00016	Neutral nitrogen compounds
1928	25	33	0	1	1	10	379.334	5.3e-05	Neutral nitrogen compounds
1929	26	33	0	1	1	11	391.334	0.000303	Neutral nitrogen compounds
1930	27	33	0	1	1	12	403.334	0.000245	Neutral nitrogen compounds
1931	28	33	0	1	1	13	415.334	0.000141	Neutral nitrogen compounds
1932	29	33	0	1	1	14	427.334	0.000167	Neutral nitrogen compounds
1933	30	33	0	1	1	15	439.334	0.000129	Neutral nitrogen compounds
1934	31	33	0	1	1	16	451.334	8.5e-05	Neutral nitrogen compounds
1935	32	33	0	1	1	17	463.334	6.9e-05	Neutral nitrogen compounds
1936	21	33	0	1	0	6	299.274	0.00059	Neutral nitrogen compounds
1937	22	33	0	1	0	7	311.274	0.000668	Neutral nitrogen compounds
1938	23	33	0	1	0	8	323.274	0.000772	Neutral nitrogen compounds
1939	24	33	0	1	0	9	335.274	0.008095	Neutral nitrogen compounds
1940	25	33	0	1	0	10	347.274	0.005265	Neutral nitrogen compounds
1941	26	33	0	1	0	11	359.274	0.004294	Neutral nitrogen compounds
1942	27	33	0	1	0	12	371.274	0.005252	Neutral nitrogen compounds
1943	28	33	0	1	0	13	383.274	0.003177	Neutral nitrogen compounds
1944	29	33	0	1	0	14	395.274	0.001808	Neutral nitrogen compounds
1945	30	33	0	1	0	15	407.274	0.001037	Neutral nitrogen compounds
1946	31	33	0	1	0	16	419.274	0.000606	Neutral nitrogen compounds
1947	32	33	0	1	0	17	431.274	0.000349	Neutral nitrogen compounds
1948	33	33	0	1	0	18	443.274	0.000195	Neutral nitrogen compounds
1949	34	33	0	1	0	19	455.274	0.000106	Neutral nitrogen compounds
1950	35	33	0	1	0	20	467.274	6.6e-05	Neutral nitrogen compounds
1951	36	33	0	1	0	21	479.274	0.000131	Neutral nitrogen compounds
1952	37	33	0	1	0	22	491.274	0.000107	Neutral nitrogen compounds
1953	38	33	0	1	0	23	503.274	7.3e-05	Neutral nitrogen compounds
1954	39	33	0	1	0	24	515.274	8.8e-05	Neutral nitrogen compounds
1955	21	34	0	2	0	6	314.292	8.5e-05	Neutral nitrogen compounds
1956	22	34	0	2	0	7	326.292	6.4e-05	Neutral nitrogen compounds
1957	23	34	0	2	0	8	338.292	5.2e-05	Neutral nitrogen compounds
1958	24	34	0	2	0	9	350.292	0.000115	Neutral nitrogen compounds
1959	25	34	0	2	0	10	362.292	0.000167	Neutral nitrogen compounds
1960	26	34	0	2	0	11	374.292	9.9e-05	Neutral nitrogen compounds
1961	27	34	0	2	0	12	386.292	0.000121	Neutral nitrogen compounds
1962	28	34	0	2	0	13	398.292	9.4e-05	Neutral nitrogen compounds
1963	29	34	0	2	0	14	410.292	5.9e-05	Neutral nitrogen compounds
1964	23	35	1	1	0	7	341.29	4.8e-05	Neutral nitrogen compounds
1965	26	35	1	1	0	10	377.29	0.000121	Neutral nitrogen compounds
1966	27	35	1	1	0	11	389.29	5.6e-05	Neutral nitrogen compounds
1967	29	35	1	1	0	13	413.29	8.1e-05	Neutral nitrogen compounds
1968	27	35	0	1	1	11	405.35	0.000174	Neutral nitrogen compounds
1969	28	35	0	1	1	12	417.35	0.000182	Neutral nitrogen compounds
1970	29	35	0	1	1	13	429.35	9.9e-05	Neutral nitrogen compounds
1971	30	35	0	1	1	14	441.35	0.000159	Neutral nitrogen compounds
1972	31	35	0	1	1	15	453.35	9.5e-05	Neutral nitrogen compounds
1973	22	35	0	1	0	6	313.29	0.000721	Neutral nitrogen compounds
1974	23	35	0	1	0	7	325.29	0.000559	Neutral nitrogen compounds
1975	24	35	0	1	0	8	337.29	0.000522	Neutral nitrogen compounds
1976	25	35	0	1	0	9	349.29	0.007268	Neutral nitrogen compounds
1977	26	35	0	1	0	10	361.29	0.004222	Neutral nitrogen compounds
1978	27	35	0	1	0	11	373.29	0.003025	Neutral nitrogen compounds
1979	28	35	0	1	0	12	385.29	0.003679	Neutral nitrogen compounds
1980	29	35	0	1	0	13	397.29	0.002313	Neutral nitrogen compounds
1981	30	35	0	1	0	14	409.29	0.000174	Neutral nitrogen compounds
1982	31	35	0	1	0	15	421.29	0.000717	Neutral nitrogen compounds
1983	32	35	0	1	0	16	433.29	0.00047	Neutral nitrogen compounds
1984	33	35	0	1	0	17	445.29	0.00027	Neutral nitrogen compounds
1985	34	35	0	1	0	18	457.29	8.1e-05	Neutral nitrogen compounds
1986	35	35	0	1	0	19	469.29	9.9e-05	Neutral nitrogen compounds
1987	36	35	0	1	0	20	481.29	9.1e-05	Neutral nitrogen compounds
1988	37	35	0	1	0	21	493.29	7.7e-05	Neutral nitrogen compounds
1989	39	35	0	1	0	23	517.29	0.000104	Neutral nitrogen compounds
1990	22	36	0	2	0	6	328.308	4.8e-05	Neutral nitrogen compounds
1991	23	36	0	2	0	7	340.308	7.8e-05	Neutral nitrogen compounds
1992	24	36	0	2	0	8	352.308	6.3e-05	Neutral nitrogen compounds
1993	25	36	0	2	0	9	364.308	0.000123	Neutral nitrogen compounds
1994	26	36	0	2	0	10	376.308	0.000126	Neutral nitrogen compounds
1995	27	36	0	2	0	11	388.308	8.3e-05	Neutral nitrogen compounds
1996	28	36	0	2	0	12	400.308	7.7e-05	Neutral nitrogen compounds
1997	29	36	0	2	0	13	412.308	9.3e-05	Neutral nitrogen compounds
1998	24	37	1	1	0	7	355.306	5.6e-05	Neutral nitrogen compounds
1999	27	37	1	1	0	10	391.306	6.4e-05	Neutral nitrogen compounds
2000	28	37	1	1	0	11	403.306	6.8e-05	Neutral nitrogen compounds
2001	30	37	1	1	0	13	427.306	8.3e-05	Neutral nitrogen compounds
2002	28	37	0	1	1	11	419.366	0.000105	Neutral nitrogen compounds
2003	29	37	0	1	1	12	431.366	0.000128	Neutral nitrogen compounds
2004	30	37	0	1	1	13	443.366	6e-05	Neutral nitrogen compounds
2005	31	37	0	1	1	14	455.366	7.4e-05	Neutral nitrogen compounds
2006	23	37	0	1	0	6	327.306	0.000635	Neutral nitrogen compounds
2007	24	37	0	1	0	7	339.306	0.00046	Neutral nitrogen compounds
2008	25	37	0	1	0	8	351.306	0.000522	Neutral nitrogen compounds
2009	26	37	0	1	0	9	363.306	0.006253	Neutral nitrogen compounds
2010	27	37	0	1	0	10	375.306	0.003151	Neutral nitrogen compounds
2011	28	37	0	1	0	11	387.306	0.002192	Neutral nitrogen compounds
2012	29	37	0	1	0	12	399.306	0.002424	Neutral nitrogen compounds
2013	30	37	0	1	0	13	411.306	0.001547	Neutral nitrogen compounds
2014	31	37	0	1	0	14	423.306	0.000821	Neutral nitrogen compounds
2015	32	37	0	1	0	15	435.306	0.000467	Neutral nitrogen compounds
2016	33	37	0	1	0	16	447.306	0.000322	Neutral nitrogen compounds
2017	34	37	0	1	0	17	459.306	0.000152	Neutral nitrogen compounds
2018	35	37	0	1	0	18	471.306	9.8e-05	Neutral nitrogen compounds
2019	23	38	0	2	0	6	342.324	5.3e-05	Neutral nitrogen compounds
2020	24	38	0	2	0	7	354.324	8.3e-05	Neutral nitrogen compounds
2021	26	38	0	2	0	9	378.324	0.000116	Neutral nitrogen compounds
2022	27	38	0	2	0	10	390.324	0.000101	Neutral nitrogen compounds
2023	28	38	0	2	0	11	402.324	6.5e-05	Neutral nitrogen compounds
2024	29	38	0	2	0	12	414.324	9.7e-05	Neutral nitrogen compounds
2025	30	38	0	2	0	13	426.324	6e-05	Neutral nitrogen compounds
2026	29	39	0	1	1	11	433.382	0.00011	Neutral nitrogen compounds
2027	30	39	0	1	1	12	445.382	7.8e-05	Neutral nitrogen compounds
2028	24	39	0	1	0	6	341.322	0.000523	Neutral nitrogen compounds
2029	25	39	0	1	0	7	353.322	0.000506	Neutral nitrogen compounds
2030	26	39	0	1	0	8	365.322	0.000432	Neutral nitrogen compounds
2031	27	39	0	1	0	9	377.322	0.004547	Neutral nitrogen compounds
2032	28	39	0	1	0	10	389.322	0.002337	Neutral nitrogen compounds
2033	29	39	0	1	0	11	401.322	0.00154	Neutral nitrogen compounds
2034	30	39	0	1	0	12	413.322	0.001628	Neutral nitrogen compounds
2035	31	39	0	1	0	13	425.322	0.001079	Neutral nitrogen compounds
2036	32	39	0	1	0	14	437.322	0.000601	Neutral nitrogen compounds
2037	33	39	0	1	0	15	449.322	0.000351	Neutral nitrogen compounds
2038	34	39	0	1	0	16	461.322	0.000198	Neutral nitrogen compounds
2039	35	39	0	1	0	17	473.322	0.000101	Neutral nitrogen compounds
2040	24	40	0	2	0	6	356.34	5.9e-05	Neutral nitrogen compounds
2041	25	40	0	2	0	7	368.34	7.4e-05	Neutral nitrogen compounds
2042	27	40	0	2	0	9	392.34	6.5e-05	Neutral nitrogen compounds
2043	28	40	0	2	0	10	404.34	5.6e-05	Neutral nitrogen compounds
2044	25	41	0	1	0	6	355.338	0.000458	Neutral nitrogen compounds
2045	26	41	0	1	0	7	367.338	0.00039	Neutral nitrogen compounds
2046	27	41	0	1	0	8	379.338	0.000372	Neutral nitrogen compounds
2047	28	41	0	1	0	9	391.338	0.003137	Neutral nitrogen compounds
2048	29	41	0	1	0	10	403.338	0.001791	Neutral nitrogen compounds
2049	30	41	0	1	0	11	415.338	0.001058	Neutral nitrogen compounds
2050	31	41	0	1	0	12	427.338	0.001067	Neutral nitrogen compounds
2051	32	41	0	1	0	13	439.338	0.000633	Neutral nitrogen compounds
2052	33	41	0	1	0	14	451.338	0.000359	Neutral nitrogen compounds
2053	34	41	0	1	0	15	463.338	0.000257	Neutral nitrogen compounds
2054	35	41	0	1	0	16	475.338	8.8e-05	Neutral nitrogen compounds
2055	26	42	0	2	0	7	382.356	5.8e-05	Neutral nitrogen compounds
2056	28	42	0	2	0	9	406.356	6.4e-05	Neutral nitrogen compounds
2057	29	42	0	2	0	10	418.356	7.6e-05	Neutral nitrogen compounds
2058	26	43	0	1	0	6	369.354	0.000456	Neutral nitrogen compounds
2059	27	43	0	1	0	7	381.354	0.000306	Neutral nitrogen compounds
2060	28	43	0	1	0	8	393.354	0.000293	Neutral nitrogen compounds
2061	29	43	0	1	0	9	405.354	0.002113	Neutral nitrogen compounds
2062	30	43	0	1	0	10	417.354	0.001232	Neutral nitrogen compounds
2063	31	43	0	1	0	11	429.354	0.000735	Neutral nitrogen compounds
2064	32	43	0	1	0	12	441.354	0.000685	Neutral nitrogen compounds
2065	33	43	0	1	0	13	453.354	0.000383	Neutral nitrogen compounds
2066	34	43	0	1	0	14	465.354	0.000206	Neutral nitrogen compounds
2067	35	43	0	1	0	15	477.354	9.3e-05	Neutral nitrogen compounds
2068	36	43	0	1	0	16	489.354	9.3e-05	Neutral nitrogen compounds
2069	27	45	0	1	0	6	383.37	0.000305	Neutral nitrogen compounds
2070	28	45	0	1	0	7	395.37	0.000235	Neutral nitrogen compounds
2071	29	45	0	1	0	8	407.37	0.000216	Neutral nitrogen compounds
2072	30	45	0	1	0	9	419.37	0.001692	Neutral nitrogen compounds
2073	31	45	0	1	0	10	431.37	0.000841	Neutral nitrogen compounds
2074	32	45	0	1	0	11	443.37	0.000517	Neutral nitrogen compounds
2075	33	45	0	1	0	12	455.37	0.000391	Neutral nitrogen compounds
2076	34	45	0	1	0	13	467.37	0.000262	Neutral nitrogen compounds
2077	35	45	0	1	0	14	479.37	0.000138	Neutral nitrogen compounds
2078	36	45	0	1	0	15	491.37	7.2e-05	Neutral nitrogen compounds
2079	28	47	0	1	0	6	397.386	0.00028	Neutral nitrogen compounds
2080	29	47	0	1	0	7	409.386	7.6e-05	Neutral nitrogen compounds
2081	30	47	0	1	0	8	421.386	0.000167	Neutral nitrogen compounds
2082	31	47	0	1	0	9	433.386	0.001186	Neutral nitrogen compounds
2083	32	47	0	1	0	10	445.386	0.00067	Neutral nitrogen compounds
2084	33	47	0	1	0	11	457.386	0.000342	Neutral nitrogen compounds
2085	34	47	0	1	0	12	469.386	0.000335	Neutral nitrogen compounds
2086	35	47	0	1	0	13	481.386	0.000211	Neutral nitrogen compounds
2087	36	47	0	1	0	14	493.386	0.000103	Neutral nitrogen compounds
2088	37	47	0	1	0	15	505.386	6.9e-05	Neutral nitrogen compounds
2089	29	49	0	1	0	6	411.402	0.000218	Neutral nitrogen compounds
2090	30	49	0	1	0	7	423.402	0.000162	Neutral nitrogen compounds
2091	31	49	0	1	0	8	435.402	0.000116	Neutral nitrogen compounds
2092	32	49	0	1	0	9	447.402	0.000752	Neutral nitrogen compounds
2093	33	49	0	1	0	10	459.402	0.000427	Neutral nitrogen compounds
2094	34	49	0	1	0	11	471.402	0.000219	Neutral nitrogen compounds
2095	35	49	0	1	0	12	483.402	0.000195	Neutral nitrogen compounds
2096	36	49	0	1	0	13	495.402	0.000129	Neutral nitrogen compounds
2097	30	51	0	1	0	6	425.418	0.000177	Neutral nitrogen compounds
2098	31	51	0	1	0	7	437.418	0.000113	Neutral nitrogen compounds
2099	32	51	0	1	0	8	449.418	0.000111	Neutral nitrogen compounds
2100	33	51	0	1	0	9	461.418	0.000562	Neutral nitrogen compounds
2101	34	51	0	1	0	10	473.418	0.000245	Neutral nitrogen compounds
2102	35	51	0	1	0	11	485.418	0.000149	Neutral nitrogen compounds
2103	36	51	0	1	0	12	497.418	0.000142	Neutral nitrogen compounds
2104	37	51	0	1	0	13	509.418	0.0001	Neutral nitrogen compounds
2105	31	53	0	1	0	6	439.434	0.000112	Neutral nitrogen compounds
2106	32	53	0	1	0	7	451.434	8.7e-05	Neutral nitrogen compounds
2107	34	53	0	1	0	9	475.434	0.000288	Neutral nitrogen compounds
2108	35	53	0	1	0	10	487.434	0.000197	Neutral nitrogen compounds
2109	36	53	0	1	0	11	499.434	0.000117	Neutral nitrogen compounds
2110	37	53	0	1	0	12	511.434	7.1e-05	Neutral nitrogen compounds
2111	38	53	0	1	0	13	523.434	9.5e-05	Neutral nitrogen compounds
2112	32	55	0	1	0	6	453.45	9.8e-05	Neutral nitrogen compounds
2113	33	55	0	1	0	7	465.45	8.3e-05	Neutral nitrogen compounds
2114	35	55	0	1	0	9	489.45	0.000222	Neutral nitrogen compounds
2115	36	55	0	1	0	10	501.45	0.000178	Neutral nitrogen compounds
2116	37	55	0	1	0	11	513.45	8.7e-05	Neutral nitrogen compounds
2117	38	55	0	1	0	12	525.45	7.5e-05	Neutral nitrogen compounds
2118	36	57	0	1	0	9	503.466	0.000149	Neutral nitrogen compounds
2119	37	57	0	1	0	10	515.466	9e-05	Neutral nitrogen compounds
2120	37	59	0	1	0	9	517.482	9.4e-05	Neutral nitrogen compounds
2121	16	10	0	0	1	12	234.14	0.000718	Sulfidic compounds
2122	17	10	0	0	1	13	246.14	6.2e-05	Sulfidic compounds
2123	15	12	0	0	2	10	256.216	1.8e-05	Sulfidic compounds
2124	19	12	0	0	1	14	272.156	0.000707	Sulfidic compounds
2125	16	12	0	0	2	11	268.216	0.000836	Sulfidic compounds
2126	13	12	0	0	1	8	200.156	5.7e-05	Sulfidic compounds
2127	12	12	0	0	2	7	220.216	1.2e-05	Sulfidic compounds
2128	17	12	0	0	1	12	248.156	0.006681	Sulfidic compounds
2129	16	12	0	0	1	11	236.156	0.005419	Sulfidic compounds
2130	15	12	0	0	1	10	224.156	0.001687	Sulfidic compounds
2131	18	12	0	0	1	13	260.156	0.000336	Sulfidic compounds
2132	14	12	0	0	1	9	212.156	0.003276	Sulfidic compounds
2133	20	12	0	0	1	15	284.156	4.7e-05	Sulfidic compounds
2134	17	14	0	0	2	11	282.232	0.001655	Sulfidic compounds
2135	16	14	0	0	1	10	238.172	0.006796	Sulfidic compounds
2136	19	14	0	0	2	13	306.232	1.6e-05	Sulfidic compounds
2137	13	14	0	0	2	7	234.232	4.1e-05	Sulfidic compounds
2138	19	14	0	0	1	13	274.172	0.002542	Sulfidic compounds
2139	18	14	0	0	2	12	294.232	3.8e-05	Sulfidic compounds
2140	21	14	0	0	1	15	298.172	0.000333	Sulfidic compounds
2141	14	14	0	0	2	8	246.232	0.000109	Sulfidic compounds
2142	20	14	0	0	2	14	318.232	4.7e-05	Sulfidic compounds
2143	15	14	0	0	1	9	226.172	0.014345	Sulfidic compounds
2144	16	14	0	0	2	10	270.232	0.000198	Sulfidic compounds
2145	18	14	0	0	1	12	262.172	0.017089	Sulfidic compounds
2146	13	14	0	0	1	7	202.172	0.000176	Sulfidic compounds
2147	14	14	0	0	1	8	214.172	0.001048	Sulfidic compounds
2148	20	14	0	0	1	14	286.172	0.00123	Sulfidic compounds
2149	17	14	0	0	1	11	250.172	0.009565	Sulfidic compounds
2150	22	14	0	0	1	16	310.172	1.8e-05	Sulfidic compounds
2151	14	16	0	0	2	7	248.248	0.000259	Sulfidic compounds
2152	21	16	0	0	2	14	332.248	8.8e-05	Sulfidic compounds
2153	18	16	0	0	2	11	296.248	0.002287	Sulfidic compounds
2154	21	16	0	0	1	14	300.188	0.002214	Sulfidic compounds
2155	22	16	0	0	1	15	312.188	0.000863	Sulfidic compounds
2156	17	16	0	0	1	10	252.188	0.014573	Sulfidic compounds
2157	20	16	0	0	1	13	288.188	0.006076	Sulfidic compounds
2158	16	16	0	0	2	9	272.248	7e-05	Sulfidic compounds
2159	16	16	0	0	1	9	240.188	0.024431	Sulfidic compounds
2160	13	16	0	0	1	6	204.188	7.3e-05	Sulfidic compounds
2161	15	16	0	0	2	8	260.248	0.000232	Sulfidic compounds
2162	17	16	0	0	2	10	284.248	0.000442	Sulfidic compounds
2163	15	16	0	0	1	8	228.188	0.00279	Sulfidic compounds
2164	19	16	0	0	1	12	276.188	0.023004	Sulfidic compounds
2165	19	16	0	0	2	12	308.248	8.3e-05	Sulfidic compounds
2166	14	16	0	0	1	7	216.188	0.000318	Sulfidic compounds
2167	20	16	0	0	2	13	320.248	9.6e-05	Sulfidic compounds
2168	18	16	0	0	1	11	264.188	0.01055	Sulfidic compounds
2169	23	16	0	0	1	16	324.188	0.00012	Sulfidic compounds
2170	16	18	0	0	2	8	274.264	0.000567	Sulfidic compounds
2171	25	18	0	0	1	17	350.204	0.00112	Sulfidic compounds
2172	20	18	0	0	2	12	322.264	0.000202	Sulfidic compounds
2173	24	18	0	0	1	16	338.204	0.000423	Sulfidic compounds
2174	15	18	0	0	2	7	262.264	0.000621	Sulfidic compounds
2175	17	18	0	0	2	9	286.264	0.000213	Sulfidic compounds
2176	23	18	0	0	2	15	358.264	3.1e-05	Sulfidic compounds
2177	13	18	0	0	1	5	206.204	8.8e-05	Sulfidic compounds
2178	19	18	0	0	2	11	310.264	0.003544	Sulfidic compounds
2179	14	18	0	0	2	6	250.264	2.5e-05	Sulfidic compounds
2180	22	18	0	0	2	14	346.264	7.3e-05	Sulfidic compounds
2181	18	18	0	0	1	10	266.204	0.018167	Sulfidic compounds
2182	16	18	0	0	1	8	242.204	0.004828	Sulfidic compounds
2183	23	18	0	0	1	15	326.204	0.00104	Sulfidic compounds
2184	22	18	0	0	1	14	314.204	0.003566	Sulfidic compounds
2185	21	18	0	0	2	13	334.264	0.000341	Sulfidic compounds
2186	18	18	0	0	2	10	298.264	0.00078	Sulfidic compounds
2187	14	18	0	0	1	6	218.204	0.001015	Sulfidic compounds
2188	21	18	0	0	1	13	302.204	0.008324	Sulfidic compounds
2189	19	18	0	0	1	11	278.204	0.010547	Sulfidic compounds
2190	20	18	0	0	1	12	290.204	0.023356	Sulfidic compounds
2191	15	18	0	0	1	7	230.204	0.000911	Sulfidic compounds
2192	17	18	0	0	1	9	254.204	0.023997	Sulfidic compounds
2193	26	18	0	0	1	18	362.204	2.1e-05	Sulfidic compounds
2194	15	20	0	0	2	6	264.28	0.0001	Sulfidic compounds
2195	17	20	0	0	2	8	288.28	0.001186	Sulfidic compounds
2196	22	20	0	0	2	13	348.28	0.000489	Sulfidic compounds
2197	16	20	0	0	1	7	244.22	0.001927	Sulfidic compounds
2198	17	20	0	0	1	8	256.22	0.007123	Sulfidic compounds
2199	16	20	0	0	2	7	276.28	0.001297	Sulfidic compounds
2200	19	20	0	0	2	10	312.28	0.00132	Sulfidic compounds
2201	24	20	0	0	2	15	372.28	3.6e-05	Sulfidic compounds
2202	18	20	0	0	2	9	300.28	0.000364	Sulfidic compounds
2203	26	20	0	0	1	17	364.22	0.000129	Sulfidic compounds
2204	13	20	0	0	1	4	208.22	1e-05	Sulfidic compounds
2205	18	20	0	0	1	9	268.22	0.01978	Sulfidic compounds
2206	21	20	0	0	2	12	336.28	0.000231	Sulfidic compounds
2207	20	20	0	0	2	11	324.28	0.004283	Sulfidic compounds
2208	23	20	0	0	1	14	328.22	0.005312	Sulfidic compounds
2209	24	20	0	0	1	15	340.22	0.001352	Sulfidic compounds
2210	19	20	0	0	1	10	280.22	0.0195	Sulfidic compounds
2211	22	20	0	0	1	13	316.22	0.008767	Sulfidic compounds
2212	14	20	0	0	1	5	220.22	0.000876	Sulfidic compounds
2213	15	20	0	0	1	6	232.22	0.002103	Sulfidic compounds
2214	23	20	0	0	2	14	360.28	0.000262	Sulfidic compounds
2215	25	20	0	0	1	16	352.22	0.000766	Sulfidic compounds
2216	21	20	0	0	1	12	304.22	0.019272	Sulfidic compounds
2217	20	20	0	0	1	11	292.22	0.009922	Sulfidic compounds
2218	27	20	0	0	1	18	376.22	1.3e-05	Sulfidic compounds
2219	18	22	0	0	2	8	302.296	0.001533	Sulfidic compounds
2220	26	22	0	0	1	16	366.236	0.000916	Sulfidic compounds
2221	22	22	0	0	2	12	350.296	0.000451	Sulfidic compounds
2222	21	22	0	0	1	11	306.236	0.010389	Sulfidic compounds
2223	21	22	0	0	2	11	338.296	0.003586	Sulfidic compounds
2224	20	22	0	0	2	10	326.296	0.00144	Sulfidic compounds
2225	16	22	0	0	1	6	246.236	0.003263	Sulfidic compounds
2226	28	22	0	0	1	18	390.236	5.5e-05	Sulfidic compounds
2227	17	22	0	0	1	7	258.236	0.003744	Sulfidic compounds
2228	18	22	0	0	1	8	270.236	0.011008	Sulfidic compounds
2229	27	22	0	0	1	17	378.236	0.000348	Sulfidic compounds
2230	16	22	0	0	2	6	278.296	0.000262	Sulfidic compounds
2231	14	22	0	0	1	4	222.236	0.000177	Sulfidic compounds
2232	25	22	0	0	2	15	386.296	5.3e-05	Sulfidic compounds
2233	24	22	0	0	2	14	374.296	0.000279	Sulfidic compounds
2234	17	22	0	0	2	7	290.296	0.002077	Sulfidic compounds
2235	23	22	0	0	2	13	362.296	0.00036	Sulfidic compounds
2236	25	22	0	0	1	15	354.236	0.001834	Sulfidic compounds
2237	19	22	0	0	2	9	314.296	0.000556	Sulfidic compounds
2238	15	22	0	0	1	5	234.236	0.00185	Sulfidic compounds
2239	29	22	0	0	1	19	402.236	2e-05	Sulfidic compounds
2240	20	22	0	0	1	10	294.236	0.01354	Sulfidic compounds
2241	23	22	0	0	1	13	330.236	0.009287	Sulfidic compounds
2242	19	22	0	0	1	9	282.236	0.017735	Sulfidic compounds
2243	24	22	0	0	1	14	342.236	0.007281	Sulfidic compounds
2244	22	22	0	0	1	12	318.236	0.015319	Sulfidic compounds
2245	16	24	0	0	1	5	248.252	0.003377	Sulfidic compounds
2246	25	24	0	0	2	14	388.312	0.000325	Sulfidic compounds
2247	15	24	0	0	1	4	236.252	0.000722	Sulfidic compounds
2248	20	24	0	0	1	9	296.252	0.01453	Sulfidic compounds
2249	24	24	0	0	2	13	376.312	0.000245	Sulfidic compounds
2250	22	24	0	0	1	11	320.252	0.011028	Sulfidic compounds
2251	27	24	0	0	1	16	380.252	0.001003	Sulfidic compounds
2252	21	24	0	0	1	10	308.252	0.011345	Sulfidic compounds
2253	23	24	0	0	2	12	364.312	0.000532	Sulfidic compounds
2254	17	24	0	0	2	6	292.312	0.000346	Sulfidic compounds
2255	14	24	0	0	1	3	224.252	0.000244	Sulfidic compounds
2256	28	24	0	0	1	17	392.252	0.000594	Sulfidic compounds
2257	21	24	0	0	2	10	340.312	0.001494	Sulfidic compounds
2258	19	24	0	0	2	8	316.312	0.001903	Sulfidic compounds
2259	18	24	0	0	1	7	272.252	0.005701	Sulfidic compounds
2260	22	24	0	0	2	11	352.312	0.002254	Sulfidic compounds
2261	19	24	0	0	1	8	284.252	0.014569	Sulfidic compounds
2262	26	24	0	0	2	15	400.312	0.000104	Sulfidic compounds
2263	20	24	0	0	2	9	328.312	0.000788	Sulfidic compounds
2264	18	24	0	0	2	7	304.312	0.00283	Sulfidic compounds
2265	17	24	0	0	1	6	260.252	0.004668	Sulfidic compounds
2266	30	24	0	0	1	19	416.252	1.6e-05	Sulfidic compounds
2267	26	24	0	0	1	15	368.252	0.002046	Sulfidic compounds
2268	23	24	0	0	1	12	332.252	0.010317	Sulfidic compounds
2269	25	24	0	0	1	14	356.252	0.007421	Sulfidic compounds
2270	24	24	0	0	1	13	344.252	0.008325	Sulfidic compounds
2271	29	24	0	0	1	18	404.252	0.001432	Sulfidic compounds
2272	24	26	0	0	1	12	346.268	0.007989	Sulfidic compounds
2273	30	26	0	0	1	18	418.268	0.000199	Sulfidic compounds
2274	16	26	0	0	1	4	250.268	0.00165	Sulfidic compounds
2275	17	26	0	0	1	5	262.268	0.006171	Sulfidic compounds
2276	26	26	0	0	2	14	402.328	0.000169	Sulfidic compounds
2277	15	26	0	0	1	3	238.268	0.000656	Sulfidic compounds
2278	18	26	0	0	2	6	306.328	0.000587	Sulfidic compounds
2279	22	26	0	0	2	10	354.328	0.001373	Sulfidic compounds
2280	21	26	0	0	1	9	310.268	0.015134	Sulfidic compounds
2281	28	26	0	0	1	16	394.268	0.000968	Sulfidic compounds
2282	23	26	0	0	2	11	366.328	0.001493	Sulfidic compounds
2283	14	26	0	0	1	2	226.268	8.7e-05	Sulfidic compounds
2284	19	26	0	0	2	7	318.328	0.003382	Sulfidic compounds
2285	21	26	0	0	2	9	342.328	0.000973	Sulfidic compounds
2286	23	26	0	0	1	11	334.268	0.010079	Sulfidic compounds
2287	24	26	0	0	2	12	378.328	0.000546	Sulfidic compounds
2288	22	26	0	0	1	10	322.268	0.010918	Sulfidic compounds
2289	25	26	0	0	1	13	358.268	0.006991	Sulfidic compounds
2290	20	26	0	0	2	8	330.328	0.00207	Sulfidic compounds
2291	27	26	0	0	2	15	414.328	4.1e-05	Sulfidic compounds
2292	29	26	0	0	1	17	406.268	0.000604	Sulfidic compounds
2293	25	26	0	0	2	13	390.328	0.000296	Sulfidic compounds
2294	19	26	0	0	1	7	286.268	0.008907	Sulfidic compounds
2295	18	26	0	0	1	6	274.268	0.007142	Sulfidic compounds
2296	32	26	0	0	1	20	442.268	1.6e-05	Sulfidic compounds
2297	31	26	0	0	1	19	430.268	2.6e-05	Sulfidic compounds
2298	20	26	0	0	1	8	298.268	0.018917	Sulfidic compounds
2299	27	26	0	0	1	15	382.268	0.002227	Sulfidic compounds
2300	26	26	0	0	1	14	370.268	0.006232	Sulfidic compounds
2301	16	28	0	0	1	3	252.284	0.001323	Sulfidic compounds
2302	26	28	0	0	1	13	372.284	0.005409	Sulfidic compounds
2303	26	28	0	0	2	13	404.344	0.000334	Sulfidic compounds
2304	21	28	0	0	2	8	344.344	0.002063	Sulfidic compounds
2305	19	28	0	0	1	6	288.284	0.01075	Sulfidic compounds
2306	28	28	0	0	1	15	396.284	0.00201	Sulfidic compounds
2307	31	28	0	0	1	18	432.284	0.000242	Sulfidic compounds
2308	19	28	0	0	2	6	320.344	0.000821	Sulfidic compounds
2309	27	28	0	0	2	14	416.344	0.00021	Sulfidic compounds
2310	27	28	0	0	1	14	384.284	0.00393	Sulfidic compounds
2311	23	28	0	0	1	10	336.284	0.011789	Sulfidic compounds
2312	25	28	0	0	1	12	360.284	0.009023	Sulfidic compounds
2313	14	28	0	0	1	1	228.284	8.4e-05	Sulfidic compounds
2314	20	28	0	0	2	7	332.344	0.003512	Sulfidic compounds
2315	15	28	0	0	1	2	240.284	0.000229	Sulfidic compounds
2316	25	28	0	0	2	12	392.344	0.000606	Sulfidic compounds
2317	17	28	0	0	1	4	264.284	0.003203	Sulfidic compounds
2318	22	28	0	0	1	9	324.284	0.016392	Sulfidic compounds
2319	22	28	0	0	2	9	356.344	0.001135	Sulfidic compounds
2320	34	28	0	0	1	21	468.284	7.3e-05	Sulfidic compounds
2321	18	28	0	0	1	5	276.284	0.010631	Sulfidic compounds
2322	18	28	0	0	2	5	308.344	2.3e-05	Sulfidic compounds
2323	23	28	0	0	2	10	368.344	0.001302	Sulfidic compounds
2324	24	28	0	0	1	11	348.284	0.010202	Sulfidic compounds
2325	29	28	0	0	1	16	408.284	0.000873	Sulfidic compounds
2326	20	28	0	0	1	7	300.284	0.012285	Sulfidic compounds
2327	24	28	0	0	2	11	380.344	0.001205	Sulfidic compounds
2328	21	28	0	0	1	8	312.284	0.022139	Sulfidic compounds
2329	30	28	0	0	1	17	420.284	0.000504	Sulfidic compounds
2330	28	28	0	0	2	15	428.344	3.8e-05	Sulfidic compounds
2331	36	28	0	0	1	23	492.284	3.5e-05	Sulfidic compounds
2332	33	28	0	0	1	20	456.284	5.9e-05	Sulfidic compounds
2333	32	28	0	0	1	19	444.284	3.2e-05	Sulfidic compounds
2334	35	28	0	0	1	22	480.284	2.9e-05	Sulfidic compounds
2335	37	28	0	0	1	24	504.284	6.5e-05	Sulfidic compounds
2336	16	30	0	0	1	2	254.3	0.000552	Sulfidic compounds
2337	19	30	0	0	2	5	322.36	2.2e-05	Sulfidic compounds
2338	20	30	0	0	2	6	334.36	0.000946	Sulfidic compounds
2339	27	30	0	0	1	13	386.3	0.004658	Sulfidic compounds
2340	19	30	0	0	1	5	290.3	0.017582	Sulfidic compounds
2341	37	30	0	0	1	23	506.3	0.000211	Sulfidic compounds
2342	21	30	0	0	1	7	314.3	0.017046	Sulfidic compounds
2343	22	30	0	0	1	8	326.3	0.025128	Sulfidic compounds
2344	38	30	0	0	1	24	518.3	0.000524	Sulfidic compounds
2345	32	30	0	0	1	18	446.3	0.00039	Sulfidic compounds
2346	17	30	0	0	1	3	266.3	0.002293	Sulfidic compounds
2347	24	30	0	0	2	10	382.36	0.001316	Sulfidic compounds
2348	20	30	0	0	1	6	302.3	0.016762	Sulfidic compounds
2349	23	30	0	0	2	9	370.36	0.001227	Sulfidic compounds
2350	39	30	0	0	1	25	530.3	4.9e-05	Sulfidic compounds
2351	15	30	0	0	1	1	242.3	0.000326	Sulfidic compounds
2352	29	30	0	0	1	15	410.3	0.001836	Sulfidic compounds
2353	26	30	0	0	2	12	406.36	0.000629	Sulfidic compounds
2354	24	30	0	0	1	10	350.3	0.012835	Sulfidic compounds
2355	18	30	0	0	1	4	278.3	0.005619	Sulfidic compounds
2356	28	30	0	0	2	14	430.36	0.000216	Sulfidic compounds
2357	22	30	0	0	2	8	358.36	0.002042	Sulfidic compounds
2358	35	30	0	0	1	21	482.3	0.000543	Sulfidic compounds
2359	21	30	0	0	2	7	346.36	0.003504	Sulfidic compounds
2360	26	30	0	0	1	12	374.3	0.011188	Sulfidic compounds
2361	31	30	0	0	1	17	434.3	0.000571	Sulfidic compounds
2362	25	30	0	0	2	11	394.36	0.001055	Sulfidic compounds
2363	25	30	0	0	1	11	362.3	0.01051	Sulfidic compounds
2364	27	30	0	0	2	13	418.36	0.000299	Sulfidic compounds
2365	23	30	0	0	1	9	338.3	0.018588	Sulfidic compounds
2366	29	30	0	0	2	15	442.36	4.3e-05	Sulfidic compounds
2367	30	30	0	0	1	16	422.3	0.00106	Sulfidic compounds
2368	28	30	0	0	1	14	398.3	0.003222	Sulfidic compounds
2369	34	30	0	0	1	20	470.3	0.000481	Sulfidic compounds
2370	36	30	0	0	1	22	494.3	0.000317	Sulfidic compounds
2371	33	30	0	0	1	19	458.3	0.000114	Sulfidic compounds
2372	15	32	0	0	1	0	244.316	8e-06	Sulfidic compounds
2373	23	32	0	0	2	8	372.376	0.001761	Sulfidic compounds
2374	26	32	0	0	2	11	408.376	0.000953	Sulfidic compounds
2375	34	32	0	0	1	19	472.316	0.000412	Sulfidic compounds
2376	17	32	0	0	1	2	268.316	0.000877	Sulfidic compounds
2377	20	32	0	0	1	5	304.316	0.02697	Sulfidic compounds
2378	22	32	0	0	2	7	360.376	0.003161	Sulfidic compounds
2379	41	32	0	0	1	26	556.316	2.8e-05	Sulfidic compounds
2380	38	32	0	0	1	23	520.316	0.000696	Sulfidic compounds
2381	20	32	0	0	2	5	336.376	3.6e-05	Sulfidic compounds
2382	21	32	0	0	2	6	348.376	0.000891	Sulfidic compounds
2383	39	32	0	0	1	24	532.316	0.0009	Sulfidic compounds
2384	29	32	0	0	1	14	412.316	0.002858	Sulfidic compounds
2385	40	32	0	0	1	25	544.316	0.000205	Sulfidic compounds
2386	19	32	0	0	1	4	292.316	0.00903	Sulfidic compounds
2387	22	32	0	0	1	7	328.316	0.021749	Sulfidic compounds
2388	23	32	0	0	1	8	340.316	0.026934	Sulfidic compounds
2389	27	32	0	0	2	12	420.376	0.000475	Sulfidic compounds
2390	33	32	0	0	1	18	460.316	0.000587	Sulfidic compounds
2391	18	32	0	0	1	3	280.316	0.004171	Sulfidic compounds
2392	28	32	0	0	1	13	400.316	0.004367	Sulfidic compounds
2393	16	32	0	0	1	1	256.316	0.000639	Sulfidic compounds
2394	21	32	0	0	1	6	316.316	0.024339	Sulfidic compounds
2395	25	32	0	0	2	10	396.376	0.001246	Sulfidic compounds
2396	29	32	0	0	2	14	444.376	0.000121	Sulfidic compounds
2397	25	32	0	0	1	10	364.316	0.013537	Sulfidic compounds
2398	36	32	0	0	1	21	496.316	0.001226	Sulfidic compounds
2399	24	32	0	0	2	9	384.376	0.001077	Sulfidic compounds
2400	27	32	0	0	1	12	388.316	0.010424	Sulfidic compounds
2401	24	32	0	0	1	9	352.316	0.019852	Sulfidic compounds
2402	32	32	0	0	1	17	448.316	0.000507	Sulfidic compounds
2403	26	32	0	0	1	11	376.316	0.010564	Sulfidic compounds
2404	31	32	0	0	1	16	436.316	0.000873	Sulfidic compounds
2405	28	32	0	0	2	13	432.376	0.000201	Sulfidic compounds
2406	35	32	0	0	1	20	484.316	0.001016	Sulfidic compounds
2407	37	32	0	0	1	22	508.316	0.000969	Sulfidic compounds
2408	30	32	0	0	1	15	424.316	0.001722	Sulfidic compounds
2409	19	34	0	0	1	3	294.332	0.006064	Sulfidic compounds
2410	21	34	0	0	2	5	350.392	6.3e-05	Sulfidic compounds
2411	17	34	0	0	1	1	270.332	0.001165	Sulfidic compounds
2412	29	34	0	0	2	13	446.392	0.000252	Sulfidic compounds
2413	25	34	0	0	2	9	398.392	0.001049	Sulfidic compounds
2414	25	34	0	0	1	9	366.332	0.019987	Sulfidic compounds
2415	31	34	0	0	1	15	438.332	0.001682	Sulfidic compounds
2416	39	34	0	0	1	23	534.332	0.001617	Sulfidic compounds
2417	23	34	0	0	2	7	374.392	0.002731	Sulfidic compounds
2418	36	34	0	0	1	20	498.332	0.001789	Sulfidic compounds
2419	42	34	0	0	1	26	570.332	0.000186	Sulfidic compounds
2420	22	34	0	0	1	6	330.332	0.031243	Sulfidic compounds
2421	22	34	0	0	2	6	362.392	0.000858	Sulfidic compounds
2422	40	34	0	0	1	24	546.332	0.001362	Sulfidic compounds
2423	35	34	0	0	1	19	486.332	0.000905	Sulfidic compounds
2424	18	34	0	0	1	2	282.332	0.001491	Sulfidic compounds
2425	21	34	0	0	1	5	318.332	0.038041	Sulfidic compounds
2426	30	34	0	0	1	14	426.332	0.002378	Sulfidic compounds
2427	41	34	0	0	1	25	558.332	0.000487	Sulfidic compounds
2428	23	34	0	0	1	7	342.332	0.024922	Sulfidic compounds
2429	16	34	0	0	1	0	258.332	0.000114	Sulfidic compounds
2430	27	34	0	0	1	11	390.332	0.010151	Sulfidic compounds
2431	20	34	0	0	1	4	306.332	0.014168	Sulfidic compounds
2432	24	34	0	0	2	8	386.392	0.001592	Sulfidic compounds
2433	24	34	0	0	1	8	354.332	0.027807	Sulfidic compounds
2434	34	34	0	0	1	18	474.332	0.000804	Sulfidic compounds
2435	29	34	0	0	1	13	414.332	0.004021	Sulfidic compounds
2436	26	34	0	0	2	10	410.392	0.001082	Sulfidic compounds
2437	28	34	0	0	2	12	434.392	0.000438	Sulfidic compounds
2438	26	34	0	0	1	10	378.332	0.013814	Sulfidic compounds
2439	37	34	0	0	1	21	510.332	0.002172	Sulfidic compounds
2440	27	34	0	0	2	11	422.392	0.000779	Sulfidic compounds
2441	30	34	0	0	2	14	458.392	0.000134	Sulfidic compounds
2442	28	34	0	0	1	12	402.332	0.008393	Sulfidic compounds
2443	32	34	0	0	1	16	450.332	0.00098	Sulfidic compounds
2444	33	34	0	0	1	17	462.332	0.000704	Sulfidic compounds
2445	38	34	0	0	1	22	522.332	0.00178	Sulfidic compounds
2446	17	36	0	0	1	0	272.348	0.000218	Sulfidic compounds
2447	25	36	0	0	2	8	400.408	0.001356	Sulfidic compounds
2448	20	36	0	0	1	3	308.348	0.009564	Sulfidic compounds
2449	23	36	0	0	1	6	344.348	0.036147	Sulfidic compounds
2450	21	36	0	0	1	4	320.348	0.020705	Sulfidic compounds
2451	28	36	0	0	1	11	404.348	0.009695	Sulfidic compounds
2452	26	36	0	0	2	9	412.408	0.001041	Sulfidic compounds
2453	24	36	0	0	2	7	388.408	0.002346	Sulfidic compounds
2454	28	36	0	0	2	11	436.408	0.000642	Sulfidic compounds
2455	32	36	0	0	1	15	452.348	0.001713	Sulfidic compounds
2456	40	36	0	0	1	23	548.348	0.002599	Sulfidic compounds
2457	27	36	0	0	1	10	392.348	0.013371	Sulfidic compounds
2458	33	36	0	0	1	16	464.348	0.00106	Sulfidic compounds
2459	18	36	0	0	1	1	284.348	0.001626	Sulfidic compounds
2460	26	36	0	0	1	9	380.348	0.019867	Sulfidic compounds
2461	43	36	0	0	1	26	584.348	0.00024	Sulfidic compounds
2462	39	36	0	0	1	22	536.348	0.002688	Sulfidic compounds
2463	23	36	0	0	2	6	376.408	0.000721	Sulfidic compounds
2464	19	36	0	0	1	2	296.348	0.002323	Sulfidic compounds
2465	34	36	0	0	1	17	476.348	0.000935	Sulfidic compounds
2466	41	36	0	0	1	24	560.348	0.001646	Sulfidic compounds
2467	31	36	0	0	2	14	472.408	0.000156	Sulfidic compounds
2468	31	36	0	0	1	14	440.348	0.002245	Sulfidic compounds
2469	42	36	0	0	1	25	572.348	0.000701	Sulfidic compounds
2470	30	36	0	0	2	13	460.408	0.000218	Sulfidic compounds
2471	35	36	0	0	1	18	488.348	0.001303	Sulfidic compounds
2472	22	36	0	0	1	5	332.348	0.046881	Sulfidic compounds
2473	24	36	0	0	1	7	356.348	0.02764	Sulfidic compounds
2474	27	36	0	0	2	10	424.408	0.000865	Sulfidic compounds
2475	37	36	0	0	1	20	512.348	0.002674	Sulfidic compounds
2476	29	36	0	0	2	12	448.408	0.000496	Sulfidic compounds
2477	29	36	0	0	1	12	416.348	0.006577	Sulfidic compounds
2478	25	36	0	0	1	8	368.348	0.027454	Sulfidic compounds
2479	30	36	0	0	1	13	428.348	0.003716	Sulfidic compounds
2480	38	36	0	0	1	21	524.348	0.002853	Sulfidic compounds
2481	36	36	0	0	1	19	500.348	0.001388	Sulfidic compounds
2482	19	38	0	0	1	1	298.364	0.002731	Sulfidic compounds
2483	18	38	0	0	1	0	286.364	0.000251	Sulfidic compounds
2484	29	38	0	0	1	11	418.364	0.008736	Sulfidic compounds
2485	30	38	0	0	1	12	430.364	0.005643	Sulfidic compounds
2486	31	38	0	0	2	13	474.424	0.000192	Sulfidic compounds
2487	20	38	0	0	1	2	310.364	0.003861	Sulfidic compounds
2488	21	38	0	0	1	3	322.364	0.014398	Sulfidic compounds
2489	24	38	0	0	1	6	358.364	0.039585	Sulfidic compounds
2490	22	38	0	0	1	4	334.364	0.027466	Sulfidic compounds
2491	27	38	0	0	2	9	426.424	0.000913	Sulfidic compounds
2492	44	38	0	0	1	26	598.364	0.000304	Sulfidic compounds
2493	25	38	0	0	2	7	402.424	0.002015	Sulfidic compounds
2494	29	38	0	0	2	11	450.424	0.000566	Sulfidic compounds
2495	33	38	0	0	1	15	466.364	0.001494	Sulfidic compounds
2496	41	38	0	0	1	23	562.364	0.003385	Sulfidic compounds
2497	24	38	0	0	2	6	390.424	0.000541	Sulfidic compounds
2498	26	38	0	0	1	8	382.364	0.026417	Sulfidic compounds
2499	27	38	0	0	1	9	394.364	0.01886	Sulfidic compounds
2500	42	38	0	0	1	24	574.364	0.001755	Sulfidic compounds
2501	28	38	0	0	2	10	438.424	0.000772	Sulfidic compounds
2502	32	38	0	0	2	14	486.424	2.2e-05	Sulfidic compounds
2503	43	38	0	0	1	25	586.364	0.000837	Sulfidic compounds
2504	28	38	0	0	1	10	406.364	0.012625	Sulfidic compounds
2505	34	38	0	0	1	16	478.364	0.001079	Sulfidic compounds
2506	40	38	0	0	1	22	550.364	0.003229	Sulfidic compounds
2507	23	38	0	0	1	5	346.364	0.051845	Sulfidic compounds
2508	25	38	0	0	1	7	370.364	0.028249	Sulfidic compounds
2509	35	38	0	0	1	17	490.364	0.001173	Sulfidic compounds
2510	32	38	0	0	1	14	454.364	0.00212	Sulfidic compounds
2511	30	38	0	0	2	12	462.424	0.000296	Sulfidic compounds
2512	26	38	0	0	2	8	414.424	0.001159	Sulfidic compounds
2513	36	38	0	0	1	18	502.364	0.001672	Sulfidic compounds
2514	31	38	0	0	1	13	442.364	0.003386	Sulfidic compounds
2515	39	38	0	0	1	21	538.364	0.003661	Sulfidic compounds
2516	38	38	0	0	1	20	526.364	0.003145	Sulfidic compounds
2517	37	38	0	0	1	19	514.364	0.00202	Sulfidic compounds
2518	32	40	0	0	2	13	488.44	0.000157	Sulfidic compounds
2519	29	40	0	0	2	10	452.44	0.000671	Sulfidic compounds
2520	20	40	0	0	1	1	312.38	0.00418	Sulfidic compounds
2521	27	40	0	0	1	8	396.38	0.024454	Sulfidic compounds
2522	29	40	0	0	1	10	420.38	0.011359	Sulfidic compounds
2523	38	40	0	0	1	19	528.38	0.002549	Sulfidic compounds
2524	19	40	0	0	1	0	300.38	0.000531	Sulfidic compounds
2525	24	40	0	0	1	5	360.38	0.053502	Sulfidic compounds
2526	33	40	0	0	2	14	500.44	0.000103	Sulfidic compounds
2527	22	40	0	0	1	3	336.38	0.019586	Sulfidic compounds
2528	26	40	0	0	2	7	416.44	0.001657	Sulfidic compounds
2529	31	40	0	0	1	12	444.38	0.004976	Sulfidic compounds
2530	21	40	0	0	1	2	324.38	0.005734	Sulfidic compounds
2531	30	40	0	0	1	11	432.38	0.007704	Sulfidic compounds
2532	42	40	0	0	1	23	576.38	0.003696	Sulfidic compounds
2533	46	40	0	0	1	27	624.38	9.4e-05	Sulfidic compounds
2534	28	40	0	0	2	9	440.44	0.000754	Sulfidic compounds
2535	45	40	0	0	1	26	612.38	0.000429	Sulfidic compounds
2536	25	40	0	0	1	6	372.38	0.039628	Sulfidic compounds
2537	43	40	0	0	1	24	588.38	0.001739	Sulfidic compounds
2538	23	40	0	0	1	4	348.38	0.033936	Sulfidic compounds
2539	30	40	0	0	2	11	464.44	0.000412	Sulfidic compounds
2540	44	40	0	0	1	25	600.38	0.000913	Sulfidic compounds
2541	27	40	0	0	2	8	428.44	0.001022	Sulfidic compounds
2542	28	40	0	0	1	9	408.38	0.017058	Sulfidic compounds
2543	34	40	0	0	1	15	480.38	0.001325	Sulfidic compounds
2544	31	40	0	0	2	12	476.44	0.000209	Sulfidic compounds
2545	33	40	0	0	1	14	468.38	0.001792	Sulfidic compounds
2546	32	40	0	0	1	13	456.38	0.00307	Sulfidic compounds
2547	35	40	0	0	1	16	492.38	0.001204	Sulfidic compounds
2548	25	40	0	0	2	6	404.44	0.000284	Sulfidic compounds
2549	26	40	0	0	1	7	384.38	0.028095	Sulfidic compounds
2550	40	40	0	0	1	21	552.38	0.004003	Sulfidic compounds
2551	36	40	0	0	1	17	504.38	0.001439	Sulfidic compounds
2552	37	40	0	0	1	18	516.38	0.001844	Sulfidic compounds
2553	41	40	0	0	1	22	564.38	0.003313	Sulfidic compounds
2554	39	40	0	0	1	20	540.38	0.004144	Sulfidic compounds
2555	22	42	0	0	1	2	338.396	0.008284	Sulfidic compounds
2556	24	42	0	0	1	4	362.396	0.037132	Sulfidic compounds
2557	30	42	0	0	2	10	466.456	0.000507	Sulfidic compounds
2558	23	42	0	0	1	3	350.396	0.025647	Sulfidic compounds
2559	28	42	0	0	2	8	442.456	0.000793	Sulfidic compounds
2560	31	42	0	0	2	11	478.456	0.000294	Sulfidic compounds
2561	42	42	0	0	1	22	578.396	0.003617	Sulfidic compounds
2562	21	42	0	0	1	1	326.396	0.006361	Sulfidic compounds
2563	27	42	0	0	1	7	398.396	0.026554	Sulfidic compounds
2564	28	42	0	0	1	8	410.396	0.021721	Sulfidic compounds
2565	36	42	0	0	1	16	506.396	0.001212	Sulfidic compounds
2566	37	42	0	0	1	17	518.396	0.001611	Sulfidic compounds
2567	40	42	0	0	1	20	554.396	0.004421	Sulfidic compounds
2568	39	42	0	0	1	19	542.396	0.002862	Sulfidic compounds
2569	26	42	0	0	1	6	386.396	0.03848	Sulfidic compounds
2570	20	42	0	0	1	0	314.396	0.000777	Sulfidic compounds
2571	30	42	0	0	1	10	434.396	0.010189	Sulfidic compounds
2572	25	42	0	0	1	5	374.396	0.051686	Sulfidic compounds
2573	43	42	0	0	1	23	590.396	0.003734	Sulfidic compounds
2574	32	42	0	0	1	12	458.396	0.004228	Sulfidic compounds
2575	46	42	0	0	1	26	626.396	0.000453	Sulfidic compounds
2576	27	42	0	0	2	7	430.456	0.001193	Sulfidic compounds
2577	31	42	0	0	1	11	446.396	0.006562	Sulfidic compounds
2578	47	42	0	0	1	27	638.396	4e-05	Sulfidic compounds
2579	32	42	0	0	2	12	490.456	0.000179	Sulfidic compounds
2580	44	42	0	0	1	24	602.396	0.001732	Sulfidic compounds
2581	45	42	0	0	1	25	614.396	0.000943	Sulfidic compounds
2582	26	42	0	0	2	6	418.456	0.000221	Sulfidic compounds
2583	35	42	0	0	1	15	494.396	0.001197	Sulfidic compounds
2584	29	42	0	0	1	9	422.396	0.015587	Sulfidic compounds
2585	29	42	0	0	2	9	454.456	0.00053	Sulfidic compounds
2586	33	42	0	0	2	13	502.456	0.000123	Sulfidic compounds
2587	34	42	0	0	1	14	482.396	0.001683	Sulfidic compounds
2588	34	42	0	0	2	14	514.456	2.5e-05	Sulfidic compounds
2589	33	42	0	0	1	13	470.396	0.00258	Sulfidic compounds
2590	41	42	0	0	1	21	566.396	0.0043	Sulfidic compounds
2591	38	42	0	0	1	18	530.396	0.002129	Sulfidic compounds
2592	23	44	0	0	1	2	352.412	0.010243	Sulfidic compounds
2593	43	44	0	0	1	22	592.412	0.003299	Sulfidic compounds
2594	26	44	0	0	1	5	388.412	0.047441	Sulfidic compounds
2595	32	44	0	0	2	11	492.472	0.000298	Sulfidic compounds
2596	34	44	0	0	1	13	484.412	0.002254	Sulfidic compounds
2597	25	44	0	0	1	4	376.412	0.038765	Sulfidic compounds
2598	27	44	0	0	2	6	432.472	9.5e-05	Sulfidic compounds
2599	38	44	0	0	1	17	532.412	0.001976	Sulfidic compounds
2600	35	44	0	0	1	14	496.412	0.001547	Sulfidic compounds
2601	29	44	0	0	1	8	424.412	0.019219	Sulfidic compounds
2602	29	44	0	0	2	8	456.472	0.000649	Sulfidic compounds
2603	21	44	0	0	1	0	328.412	0.000967	Sulfidic compounds
2604	39	44	0	0	1	18	544.412	0.002209	Sulfidic compounds
2605	33	44	0	0	2	12	504.472	9.6e-05	Sulfidic compounds
2606	24	44	0	0	1	3	364.412	0.02832	Sulfidic compounds
2607	28	44	0	0	1	7	412.412	0.0239	Sulfidic compounds
2608	37	44	0	0	1	16	520.412	0.001126	Sulfidic compounds
2609	41	44	0	0	1	20	568.412	0.004185	Sulfidic compounds
2610	22	44	0	0	1	1	340.412	0.008618	Sulfidic compounds
2611	34	44	0	0	2	13	516.472	8.1e-05	Sulfidic compounds
2612	31	44	0	0	1	10	448.412	0.008749	Sulfidic compounds
2613	40	44	0	0	1	19	556.412	0.002544	Sulfidic compounds
2614	44	44	0	0	1	23	604.412	0.003161	Sulfidic compounds
2615	30	44	0	0	1	9	436.412	0.013489	Sulfidic compounds
2616	33	44	0	0	1	12	472.412	0.003787	Sulfidic compounds
2617	48	44	0	0	1	27	652.412	0.000117	Sulfidic compounds
2618	30	44	0	0	2	9	468.472	0.000485	Sulfidic compounds
2619	28	44	0	0	2	7	444.472	0.00091	Sulfidic compounds
2620	45	44	0	0	1	24	616.412	0.001632	Sulfidic compounds
2621	47	44	0	0	1	26	640.412	0.000288	Sulfidic compounds
2622	31	44	0	0	2	10	480.472	0.000422	Sulfidic compounds
2623	32	44	0	0	1	11	460.412	0.005554	Sulfidic compounds
2624	46	44	0	0	1	25	628.412	0.001048	Sulfidic compounds
2625	27	44	0	0	1	6	400.412	0.03517	Sulfidic compounds
2626	36	44	0	0	1	15	508.412	0.001331	Sulfidic compounds
2627	42	44	0	0	1	21	580.412	0.00386	Sulfidic compounds
2628	22	46	0	0	1	0	342.428	0.001494	Sulfidic compounds
2629	29	46	0	0	2	7	458.488	0.000617	Sulfidic compounds
2630	23	46	0	0	1	1	354.428	0.010465	Sulfidic compounds
2631	25	46	0	0	1	3	378.428	0.029357	Sulfidic compounds
2632	31	46	0	0	1	9	450.428	0.01125	Sulfidic compounds
2633	32	46	0	0	2	10	494.488	0.00038	Sulfidic compounds
2634	37	46	0	0	1	15	522.428	0.001104	Sulfidic compounds
2635	30	46	0	0	2	8	470.488	0.000589	Sulfidic compounds
2636	28	46	0	0	1	6	414.428	0.030574	Sulfidic compounds
2637	35	46	0	0	2	13	530.488	7.1e-05	Sulfidic compounds
2638	28	46	0	0	2	6	446.488	1.5e-05	Sulfidic compounds
2639	43	46	0	0	1	21	594.428	0.003392	Sulfidic compounds
2640	44	46	0	0	1	22	606.428	0.00283	Sulfidic compounds
2641	39	46	0	0	1	17	546.428	0.001959	Sulfidic compounds
2642	26	46	0	0	1	4	390.428	0.036641	Sulfidic compounds
2643	34	46	0	0	2	12	518.488	6e-05	Sulfidic compounds
2644	30	46	0	0	1	8	438.428	0.016162	Sulfidic compounds
2645	42	46	0	0	1	20	582.428	0.003731	Sulfidic compounds
2646	38	46	0	0	1	16	534.428	0.001194	Sulfidic compounds
2647	24	46	0	0	1	2	366.428	0.01161	Sulfidic compounds
2648	31	46	0	0	2	9	482.488	0.000351	Sulfidic compounds
2649	29	46	0	0	1	7	426.428	0.021008	Sulfidic compounds
2650	35	46	0	0	1	13	498.428	0.001899	Sulfidic compounds
2651	41	46	0	0	1	19	570.428	0.002702	Sulfidic compounds
2652	32	46	0	0	1	10	462.428	0.007311	Sulfidic compounds
2653	27	46	0	0	1	5	402.428	0.043226	Sulfidic compounds
2654	45	46	0	0	1	23	618.428	0.002458	Sulfidic compounds
2655	49	46	0	0	1	27	666.428	4.7e-05	Sulfidic compounds
2656	46	46	0	0	1	24	630.428	0.001619	Sulfidic compounds
2657	36	46	0	0	1	14	510.428	0.001304	Sulfidic compounds
2658	47	46	0	0	1	25	642.428	0.000889	Sulfidic compounds
2659	33	46	0	0	2	11	506.488	0.000224	Sulfidic compounds
2660	40	46	0	0	1	18	558.428	0.002187	Sulfidic compounds
2661	33	46	0	0	1	11	474.428	0.004676	Sulfidic compounds
2662	34	46	0	0	1	12	486.428	0.002929	Sulfidic compounds
2663	48	46	0	0	1	26	654.428	0.000344	Sulfidic compounds
2664	34	48	0	0	1	11	488.444	0.003819	Sulfidic compounds
2665	41	48	0	0	1	18	572.444	0.002176	Sulfidic compounds
2666	24	48	0	0	1	1	368.444	0.01109	Sulfidic compounds
2667	28	48	0	0	1	5	416.444	0.037551	Sulfidic compounds
2668	31	48	0	0	2	8	484.504	0.000409	Sulfidic compounds
2669	26	48	0	0	1	3	392.444	0.027765	Sulfidic compounds
2670	32	48	0	0	1	9	464.444	0.009435	Sulfidic compounds
2671	35	48	0	0	1	12	500.444	0.002443	Sulfidic compounds
2672	23	48	0	0	1	0	356.444	0.001983	Sulfidic compounds
2673	29	48	0	0	1	6	428.444	0.027135	Sulfidic compounds
2674	40	48	0	0	1	17	560.444	0.001991	Sulfidic compounds
2675	45	48	0	0	1	22	620.444	0.002552	Sulfidic compounds
2676	25	48	0	0	1	2	380.444	0.012124	Sulfidic compounds
2677	32	48	0	0	2	9	496.504	0.000317	Sulfidic compounds
2678	34	48	0	0	2	11	520.504	0.000136	Sulfidic compounds
2679	31	48	0	0	1	8	452.444	0.013781	Sulfidic compounds
2680	43	48	0	0	1	20	596.444	0.003383	Sulfidic compounds
2681	39	48	0	0	1	16	548.444	0.001319	Sulfidic compounds
2682	44	48	0	0	1	21	608.444	0.00273	Sulfidic compounds
2683	33	48	0	0	2	10	508.504	0.000276	Sulfidic compounds
2684	36	48	0	0	1	13	512.444	0.001647	Sulfidic compounds
2685	42	48	0	0	1	19	584.444	0.002378	Sulfidic compounds
2686	27	48	0	0	1	4	404.444	0.033221	Sulfidic compounds
2687	30	48	0	0	2	7	472.504	0.000495	Sulfidic compounds
2688	30	48	0	0	1	7	440.444	0.018112	Sulfidic compounds
2689	50	48	0	0	1	27	680.444	8.9e-05	Sulfidic compounds
2690	46	48	0	0	1	23	632.444	0.002222	Sulfidic compounds
2691	36	48	0	0	2	13	544.504	2.1e-05	Sulfidic compounds
2692	47	48	0	0	1	24	644.444	0.001257	Sulfidic compounds
2693	33	48	0	0	1	10	476.444	0.006156	Sulfidic compounds
2694	48	48	0	0	1	25	656.444	0.000668	Sulfidic compounds
2695	35	48	0	0	2	12	532.504	5.4e-05	Sulfidic compounds
2696	49	48	0	0	1	26	668.444	0.000218	Sulfidic compounds
2697	37	48	0	0	1	14	524.444	0.001133	Sulfidic compounds
2698	38	48	0	0	1	15	536.444	0.001027	Sulfidic compounds
2699	33	50	0	0	2	9	510.52	0.000308	Sulfidic compounds
2700	34	50	0	0	2	10	522.52	0.000145	Sulfidic compounds
2701	42	50	0	0	1	18	586.46	0.001972	Sulfidic compounds
2702	38	50	0	0	1	14	538.46	0.001167	Sulfidic compounds
2703	31	50	0	0	1	7	454.46	0.015178	Sulfidic compounds
2704	25	50	0	0	1	1	382.46	0.010375	Sulfidic compounds
2705	39	50	0	0	1	15	550.46	0.001241	Sulfidic compounds
2706	32	50	0	0	1	8	466.46	0.011444	Sulfidic compounds
2707	26	50	0	0	1	2	394.46	0.011136	Sulfidic compounds
2708	28	50	0	0	1	4	418.46	0.029336	Sulfidic compounds
2709	29	50	0	0	1	5	430.46	0.032622	Sulfidic compounds
2710	35	50	0	0	2	11	534.52	6e-05	Sulfidic compounds
2711	24	50	0	0	1	0	370.46	0.001927	Sulfidic compounds
2712	27	50	0	0	1	3	406.46	0.025377	Sulfidic compounds
2713	33	50	0	0	1	9	478.46	0.008051	Sulfidic compounds
2714	37	50	0	0	2	13	558.52	5.1e-05	Sulfidic compounds
2715	46	50	0	0	1	22	634.46	0.002055	Sulfidic compounds
2716	30	50	0	0	1	6	442.46	0.022881	Sulfidic compounds
2717	36	50	0	0	2	12	546.52	4.9e-05	Sulfidic compounds
2718	41	50	0	0	1	17	574.46	0.002284	Sulfidic compounds
2719	44	50	0	0	1	20	610.46	0.002656	Sulfidic compounds
2720	31	50	0	0	2	7	486.52	0.000388	Sulfidic compounds
2721	43	50	0	0	1	19	598.46	0.002223	Sulfidic compounds
2722	40	50	0	0	1	16	562.46	0.001431	Sulfidic compounds
2723	32	50	0	0	2	8	498.52	0.00045	Sulfidic compounds
2724	34	50	0	0	1	10	490.46	0.0049	Sulfidic compounds
2725	35	50	0	0	1	11	502.46	0.00326	Sulfidic compounds
2726	36	50	0	0	1	12	514.46	0.00209	Sulfidic compounds
2727	37	50	0	0	1	13	526.46	0.001452	Sulfidic compounds
2728	51	50	0	0	1	27	694.46	2.3e-05	Sulfidic compounds
2729	47	50	0	0	1	23	646.46	0.001574	Sulfidic compounds
2730	48	50	0	0	1	24	658.46	0.000881	Sulfidic compounds
2731	49	50	0	0	1	25	670.46	0.000687	Sulfidic compounds
2732	45	50	0	0	1	21	622.46	0.002227	Sulfidic compounds
2733	50	50	0	0	1	26	682.46	0.000174	Sulfidic compounds
2734	33	52	0	0	1	8	480.476	0.008923	Sulfidic compounds
2735	32	52	0	0	1	7	468.476	0.012239	Sulfidic compounds
2736	38	52	0	0	1	13	540.476	0.001357	Sulfidic compounds
2737	29	52	0	0	1	4	432.476	0.025312	Sulfidic compounds
2738	46	52	0	0	1	21	636.476	0.002017	Sulfidic compounds
2739	25	52	0	0	1	0	384.476	0.001841	Sulfidic compounds
2740	37	52	0	0	1	12	528.476	0.001795	Sulfidic compounds
2741	35	52	0	0	1	10	504.476	0.00402	Sulfidic compounds
2742	36	52	0	0	1	11	516.476	0.002441	Sulfidic compounds
2743	43	52	0	0	1	18	600.476	0.001997	Sulfidic compounds
2744	39	52	0	0	1	14	552.476	0.001062	Sulfidic compounds
2745	40	52	0	0	1	15	564.476	0.001226	Sulfidic compounds
2746	31	52	0	0	1	6	456.476	0.01887	Sulfidic compounds
2747	27	52	0	0	1	2	408.476	0.00996	Sulfidic compounds
2748	26	52	0	0	1	1	396.476	0.009398	Sulfidic compounds
2749	30	52	0	0	1	5	444.476	0.026588	Sulfidic compounds
2750	32	52	0	0	2	7	500.536	0.000221	Sulfidic compounds
2751	51	52	0	0	1	26	696.476	0.000101	Sulfidic compounds
2752	47	52	0	0	1	22	648.476	0.001535	Sulfidic compounds
2753	34	52	0	0	1	9	492.476	0.006398	Sulfidic compounds
2754	34	52	0	0	2	9	524.536	0.000278	Sulfidic compounds
2755	28	52	0	0	1	3	420.476	0.021913	Sulfidic compounds
2756	33	52	0	0	2	8	512.536	0.000181	Sulfidic compounds
2757	42	52	0	0	1	17	588.476	0.002182	Sulfidic compounds
2758	36	52	0	0	2	11	548.536	6.7e-05	Sulfidic compounds
2759	45	52	0	0	1	20	624.476	0.002266	Sulfidic compounds
2760	44	52	0	0	1	19	612.476	0.001886	Sulfidic compounds
2761	41	52	0	0	1	16	576.476	0.001633	Sulfidic compounds
2762	52	52	0	0	1	27	708.476	2.5e-05	Sulfidic compounds
2763	48	52	0	0	1	23	660.476	0.00133	Sulfidic compounds
2764	35	52	0	0	2	10	536.536	0.000157	Sulfidic compounds
2765	49	52	0	0	1	24	672.476	0.000449	Sulfidic compounds
2766	50	52	0	0	1	25	684.476	0.000297	Sulfidic compounds
2767	28	54	0	0	1	2	422.492	0.008347	Sulfidic compounds
2768	32	54	0	0	1	6	470.492	0.015635	Sulfidic compounds
2769	34	54	0	0	1	8	494.492	0.00722	Sulfidic compounds
2770	34	54	0	0	2	8	526.552	0.000146	Sulfidic compounds
2771	29	54	0	0	1	3	434.492	0.01882	Sulfidic compounds
2772	47	54	0	0	1	21	650.492	0.001513	Sulfidic compounds
2773	27	54	0	0	1	1	410.492	0.007735	Sulfidic compounds
2774	31	54	0	0	1	5	458.492	0.021984	Sulfidic compounds
2775	50	54	0	0	1	24	686.492	0.000484	Sulfidic compounds
2776	33	54	0	0	1	7	482.492	0.010326	Sulfidic compounds
2777	37	54	0	0	1	11	530.492	0.00205	Sulfidic compounds
2778	38	54	0	0	1	12	542.492	0.001504	Sulfidic compounds
2779	51	54	0	0	1	25	698.492	8e-05	Sulfidic compounds
2780	37	54	0	0	2	11	562.552	5.1e-05	Sulfidic compounds
2781	26	54	0	0	1	0	398.492	0.00154	Sulfidic compounds
2782	36	54	0	0	1	10	518.492	0.003386	Sulfidic compounds
2783	30	54	0	0	1	4	446.492	0.021314	Sulfidic compounds
2784	44	54	0	0	1	18	614.492	0.00187	Sulfidic compounds
2785	35	54	0	0	2	9	538.552	0.000115	Sulfidic compounds
2786	41	54	0	0	1	15	578.492	0.001289	Sulfidic compounds
2787	40	54	0	0	1	14	566.492	0.00096	Sulfidic compounds
2788	33	54	0	0	2	7	514.552	0.000158	Sulfidic compounds
2789	36	54	0	0	2	10	550.552	0.000144	Sulfidic compounds
2790	48	54	0	0	1	22	662.492	0.001194	Sulfidic compounds
2791	43	54	0	0	1	17	602.492	0.002271	Sulfidic compounds
2792	35	54	0	0	1	9	506.492	0.00531	Sulfidic compounds
2793	52	54	0	0	1	26	710.492	0.000157	Sulfidic compounds
2794	39	54	0	0	1	13	554.492	0.001091	Sulfidic compounds
2795	45	54	0	0	1	19	626.492	0.001798	Sulfidic compounds
2796	46	54	0	0	1	20	638.492	0.002084	Sulfidic compounds
2797	42	54	0	0	1	16	590.492	0.001425	Sulfidic compounds
2798	49	54	0	0	1	23	674.492	0.000887	Sulfidic compounds
2799	27	56	0	0	1	0	412.508	0.001261	Sulfidic compounds
2800	28	56	0	0	1	1	424.508	0.006439	Sulfidic compounds
2801	32	56	0	0	1	5	472.508	0.017616	Sulfidic compounds
2802	29	56	0	0	1	2	436.508	0.007015	Sulfidic compounds
2803	40	56	0	0	1	13	568.508	0.001087	Sulfidic compounds
2804	36	56	0	0	1	9	520.508	0.00432	Sulfidic compounds
2805	36	56	0	0	2	9	552.568	6.5e-05	Sulfidic compounds
2806	33	56	0	0	1	6	484.508	0.012726	Sulfidic compounds
2807	48	56	0	0	1	21	664.508	0.00133	Sulfidic compounds
2808	34	56	0	0	1	7	496.508	0.008148	Sulfidic compounds
2809	30	56	0	0	1	3	448.508	0.015982	Sulfidic compounds
2810	35	56	0	0	1	8	508.508	0.005992	Sulfidic compounds
2811	38	56	0	0	1	11	544.508	0.001796	Sulfidic compounds
2812	39	56	0	0	1	12	556.508	0.001185	Sulfidic compounds
2813	31	56	0	0	1	4	460.508	0.017197	Sulfidic compounds
2814	51	56	0	0	1	24	700.508	0.000334	Sulfidic compounds
2815	42	56	0	0	1	15	592.508	0.001443	Sulfidic compounds
2816	52	56	0	0	1	25	712.508	0.000228	Sulfidic compounds
2817	45	56	0	0	1	18	628.508	0.001906	Sulfidic compounds
2818	37	56	0	0	1	10	532.508	0.002791	Sulfidic compounds
2819	41	56	0	0	1	14	580.508	0.001056	Sulfidic compounds
2820	44	56	0	0	1	17	616.508	0.002067	Sulfidic compounds
2821	49	56	0	0	1	22	676.508	0.000919	Sulfidic compounds
2822	34	56	0	0	2	7	528.568	0.000106	Sulfidic compounds
2823	35	56	0	0	2	8	540.568	2.3e-05	Sulfidic compounds
2824	43	56	0	0	1	16	604.508	0.001611	Sulfidic compounds
2825	46	56	0	0	1	19	640.508	0.001668	Sulfidic compounds
2826	50	56	0	0	1	23	688.508	0.000781	Sulfidic compounds
2827	47	56	0	0	1	20	652.508	0.001747	Sulfidic compounds
2828	53	56	0	0	1	26	724.508	8.2e-05	Sulfidic compounds
2829	33	58	0	0	1	5	486.524	0.013523	Sulfidic compounds
2830	32	58	0	0	1	4	474.524	0.014273	Sulfidic compounds
2831	29	58	0	0	1	1	438.524	0.005305	Sulfidic compounds
2832	54	58	0	0	1	26	738.524	2.7e-05	Sulfidic compounds
2833	41	58	0	0	1	13	582.524	0.000971	Sulfidic compounds
2834	31	58	0	0	1	3	462.524	0.012918	Sulfidic compounds
2835	28	58	0	0	1	0	426.524	0.000916	Sulfidic compounds
2836	30	58	0	0	1	2	450.524	0.005738	Sulfidic compounds
2837	35	58	0	0	2	7	542.584	5.6e-05	Sulfidic compounds
2838	48	58	0	0	1	20	666.524	0.001449	Sulfidic compounds
2839	49	58	0	0	1	21	678.524	0.000919	Sulfidic compounds
2840	47	58	0	0	1	19	654.524	0.001594	Sulfidic compounds
2841	34	58	0	0	1	6	498.524	0.010081	Sulfidic compounds
2842	40	58	0	0	1	12	570.524	0.001149	Sulfidic compounds
2843	36	58	0	0	1	8	522.524	0.004653	Sulfidic compounds
2844	39	58	0	0	1	11	558.524	0.00149	Sulfidic compounds
2845	46	58	0	0	1	18	642.524	0.001622	Sulfidic compounds
2846	37	58	0	0	2	9	566.584	6.5e-05	Sulfidic compounds
2847	36	58	0	0	2	8	554.584	8.7e-05	Sulfidic compounds
2848	35	58	0	0	1	7	510.524	0.006535	Sulfidic compounds
2849	43	58	0	0	1	15	606.524	0.001305	Sulfidic compounds
2850	38	58	0	0	1	10	546.524	0.002243	Sulfidic compounds
2851	42	58	0	0	1	14	594.524	0.001055	Sulfidic compounds
2852	53	58	0	0	1	25	726.524	7e-05	Sulfidic compounds
2853	50	58	0	0	1	22	690.524	0.000735	Sulfidic compounds
2854	37	58	0	0	1	9	534.524	0.003525	Sulfidic compounds
2855	44	58	0	0	1	16	618.524	0.001601	Sulfidic compounds
2856	45	58	0	0	1	17	630.524	0.002246	Sulfidic compounds
2857	52	58	0	0	1	24	714.524	8.2e-05	Sulfidic compounds
2858	51	58	0	0	1	23	702.524	0.000547	Sulfidic compounds
2859	45	60	0	0	1	16	632.54	0.001416	Sulfidic compounds
2860	55	60	0	0	1	26	752.54	2.8e-05	Sulfidic compounds
2861	36	60	0	0	2	7	556.6	4.2e-05	Sulfidic compounds
2862	38	60	0	0	1	9	548.54	0.002863	Sulfidic compounds
2863	52	60	0	0	1	23	716.54	0.000324	Sulfidic compounds
2864	42	60	0	0	1	13	596.54	0.000995	Sulfidic compounds
2865	30	60	0	0	1	1	452.54	0.004281	Sulfidic compounds
2866	33	60	0	0	1	4	488.54	0.011371	Sulfidic compounds
2867	29	60	0	0	1	0	440.54	0.000838	Sulfidic compounds
2868	38	60	0	0	2	9	580.6	3.8e-05	Sulfidic compounds
2869	31	60	0	0	1	2	464.54	0.004489	Sulfidic compounds
2870	34	60	0	0	1	5	500.54	0.011116	Sulfidic compounds
2871	50	60	0	0	1	21	692.54	0.00097	Sulfidic compounds
2872	36	60	0	0	1	7	524.54	0.004876	Sulfidic compounds
2873	49	60	0	0	1	20	680.54	0.001128	Sulfidic compounds
2874	37	60	0	0	2	8	568.6	1.9e-05	Sulfidic compounds
2875	37	60	0	0	1	8	536.54	0.003628	Sulfidic compounds
2876	32	60	0	0	1	3	476.54	0.010306	Sulfidic compounds
2877	48	60	0	0	1	19	668.54	0.001209	Sulfidic compounds
2878	47	60	0	0	1	18	656.54	0.001585	Sulfidic compounds
2879	35	60	0	0	1	6	512.54	0.008017	Sulfidic compounds
2880	40	60	0	0	1	11	572.54	0.001411	Sulfidic compounds
2881	41	60	0	0	1	12	584.54	0.000995	Sulfidic compounds
2882	43	60	0	0	1	14	608.54	0.000961	Sulfidic compounds
2883	44	60	0	0	1	15	620.54	0.001246	Sulfidic compounds
2884	39	60	0	0	1	10	560.54	0.001969	Sulfidic compounds
2885	51	60	0	0	1	22	704.54	0.000403	Sulfidic compounds
2886	54	60	0	0	1	25	740.54	6.6e-05	Sulfidic compounds
2887	46	60	0	0	1	17	644.54	0.001818	Sulfidic compounds
2888	53	60	0	0	1	24	728.54	0.000135	Sulfidic compounds
2889	30	62	0	0	1	0	454.556	0.000491	Sulfidic compounds
2890	55	62	0	0	1	25	754.556	4.1e-05	Sulfidic compounds
2891	37	62	0	0	1	7	538.556	0.004018	Sulfidic compounds
2892	54	62	0	0	1	24	742.556	3e-05	Sulfidic compounds
2893	34	62	0	0	1	4	502.556	0.009375	Sulfidic compounds
2894	33	62	0	0	1	3	490.556	0.007958	Sulfidic compounds
2895	46	62	0	0	1	16	646.556	0.001297	Sulfidic compounds
2896	49	62	0	0	1	19	682.556	0.001158	Sulfidic compounds
2897	36	62	0	0	1	6	526.556	0.006174	Sulfidic compounds
2898	56	62	0	0	1	26	766.556	2.5e-05	Sulfidic compounds
2899	47	62	0	0	1	17	658.556	0.001669	Sulfidic compounds
2900	39	62	0	0	1	9	562.556	0.002387	Sulfidic compounds
2901	39	62	0	0	2	9	594.616	1.9e-05	Sulfidic compounds
2902	32	62	0	0	1	2	478.556	0.00379	Sulfidic compounds
2903	44	62	0	0	1	14	622.556	0.001067	Sulfidic compounds
2904	43	62	0	0	1	13	610.556	0.000948	Sulfidic compounds
2905	53	62	0	0	1	23	730.556	0.000352	Sulfidic compounds
2906	31	62	0	0	1	1	466.556	0.003214	Sulfidic compounds
2907	37	62	0	0	2	7	570.616	2e-05	Sulfidic compounds
2908	51	62	0	0	1	21	706.556	0.000678	Sulfidic compounds
2909	38	62	0	0	1	8	550.556	0.003044	Sulfidic compounds
2910	35	62	0	0	1	5	514.556	0.008804	Sulfidic compounds
2911	40	62	0	0	1	10	574.556	0.001896	Sulfidic compounds
2912	50	62	0	0	1	20	694.556	0.000947	Sulfidic compounds
2913	41	62	0	0	1	11	586.556	0.001174	Sulfidic compounds
2914	42	62	0	0	1	12	598.556	0.000952	Sulfidic compounds
2915	52	62	0	0	1	22	718.556	0.000516	Sulfidic compounds
2916	48	62	0	0	1	18	670.556	0.001336	Sulfidic compounds
2917	45	62	0	0	1	15	634.556	0.001388	Sulfidic compounds
2918	31	64	0	0	1	0	468.572	0.000424	Sulfidic compounds
2919	36	64	0	0	1	5	528.572	0.006579	Sulfidic compounds
2920	33	64	0	0	1	2	492.572	0.002954	Sulfidic compounds
2921	39	64	0	0	1	8	564.572	0.002655	Sulfidic compounds
2922	41	64	0	0	1	10	588.572	0.001427	Sulfidic compounds
2923	55	64	0	0	1	24	756.572	9e-05	Sulfidic compounds
2924	46	64	0	0	1	15	648.572	0.001184	Sulfidic compounds
2925	35	64	0	0	1	4	516.572	0.007139	Sulfidic compounds
2926	50	64	0	0	1	19	696.572	0.000924	Sulfidic compounds
2927	38	64	0	0	1	7	552.572	0.002994	Sulfidic compounds
2928	34	64	0	0	1	3	504.572	0.006356	Sulfidic compounds
2929	47	64	0	0	1	16	660.572	0.001336	Sulfidic compounds
2930	42	64	0	0	1	11	600.572	0.001345	Sulfidic compounds
2931	43	64	0	0	1	12	612.572	0.000754	Sulfidic compounds
2932	40	64	0	0	1	9	576.572	0.002625	Sulfidic compounds
2933	32	64	0	0	1	1	480.572	0.002503	Sulfidic compounds
2934	37	64	0	0	1	6	540.572	0.004854	Sulfidic compounds
2935	45	64	0	0	1	14	636.572	0.001042	Sulfidic compounds
2936	52	64	0	0	1	21	720.572	0.000456	Sulfidic compounds
2937	44	64	0	0	1	13	624.572	0.000907	Sulfidic compounds
2938	54	64	0	0	1	23	744.572	0.000122	Sulfidic compounds
2939	48	64	0	0	1	17	672.572	0.001437	Sulfidic compounds
2940	53	64	0	0	1	22	732.572	0.000264	Sulfidic compounds
2941	49	64	0	0	1	18	684.572	0.001239	Sulfidic compounds
2942	51	64	0	0	1	20	708.572	0.000728	Sulfidic compounds
2943	52	66	0	0	1	20	722.588	0.000681	Sulfidic compounds
2944	43	66	0	0	1	11	614.588	0.000924	Sulfidic compounds
2945	33	66	0	0	1	1	494.588	0.00186	Sulfidic compounds
2946	49	66	0	0	1	17	686.588	0.001548	Sulfidic compounds
2947	32	66	0	0	1	0	482.588	0.000143	Sulfidic compounds
2948	40	66	0	0	1	8	578.588	0.001861	Sulfidic compounds
2949	46	66	0	0	1	14	650.588	0.00089	Sulfidic compounds
2950	37	66	0	0	1	5	542.588	0.005351	Sulfidic compounds
2951	51	66	0	0	1	19	710.588	0.000731	Sulfidic compounds
2952	34	66	0	0	1	2	506.588	0.002279	Sulfidic compounds
2953	42	66	0	0	1	10	602.588	0.001422	Sulfidic compounds
2954	48	66	0	0	1	16	674.588	0.001013	Sulfidic compounds
2955	35	66	0	0	1	3	518.588	0.004935	Sulfidic compounds
2956	36	66	0	0	1	4	530.588	0.005417	Sulfidic compounds
2957	39	66	0	0	1	7	566.588	0.002608	Sulfidic compounds
2958	41	66	0	0	1	9	590.588	0.001608	Sulfidic compounds
2959	50	66	0	0	1	18	698.588	0.001104	Sulfidic compounds
2960	38	66	0	0	1	6	554.588	0.003879	Sulfidic compounds
2961	53	66	0	0	1	21	734.588	0.000351	Sulfidic compounds
2962	44	66	0	0	1	12	626.588	0.000831	Sulfidic compounds
2963	45	66	0	0	1	13	638.588	0.000806	Sulfidic compounds
2964	55	66	0	0	1	23	758.588	0.0001	Sulfidic compounds
2965	47	66	0	0	1	15	662.588	0.001167	Sulfidic compounds
2966	54	66	0	0	1	22	746.588	0.000159	Sulfidic compounds
2967	36	68	0	0	1	3	532.604	0.00388	Sulfidic compounds
2968	35	68	0	0	1	2	520.604	0.001724	Sulfidic compounds
2969	55	68	0	0	1	22	760.604	2.8e-05	Sulfidic compounds
2970	51	68	0	0	1	18	712.604	0.000907	Sulfidic compounds
2971	53	68	0	0	1	20	736.604	0.000722	Sulfidic compounds
2972	39	68	0	0	1	6	568.604	0.003001	Sulfidic compounds
2973	48	68	0	0	1	15	676.604	0.000982	Sulfidic compounds
2974	50	68	0	0	1	17	700.604	0.001	Sulfidic compounds
2975	33	68	0	0	1	0	496.604	8.1e-05	Sulfidic compounds
2976	34	68	0	0	1	1	508.604	0.001441	Sulfidic compounds
2977	44	68	0	0	1	11	628.604	0.000858	Sulfidic compounds
2978	47	68	0	0	1	14	664.604	0.000797	Sulfidic compounds
2979	45	68	0	0	1	12	640.604	0.000555	Sulfidic compounds
2980	37	68	0	0	1	4	544.604	0.004267	Sulfidic compounds
2981	52	68	0	0	1	19	724.604	0.00061	Sulfidic compounds
2982	41	68	0	0	1	8	592.604	0.001491	Sulfidic compounds
2983	43	68	0	0	1	10	616.604	0.000966	Sulfidic compounds
2984	38	68	0	0	1	5	556.604	0.003797	Sulfidic compounds
2985	49	68	0	0	1	16	688.604	0.001102	Sulfidic compounds
2986	40	68	0	0	1	7	580.604	0.001943	Sulfidic compounds
2987	54	68	0	0	1	21	748.604	9.3e-05	Sulfidic compounds
2988	42	68	0	0	1	9	604.604	0.001927	Sulfidic compounds
2989	46	68	0	0	1	13	652.604	0.00071	Sulfidic compounds
2990	35	70	0	0	1	1	522.62	0.0011	Sulfidic compounds
2991	34	70	0	0	1	0	510.62	5.9e-05	Sulfidic compounds
2992	39	70	0	0	1	5	570.62	0.003134	Sulfidic compounds
2993	40	70	0	0	1	6	582.62	0.002343	Sulfidic compounds
2994	37	70	0	0	1	3	546.62	0.002965	Sulfidic compounds
2995	38	70	0	0	1	4	558.62	0.003336	Sulfidic compounds
2996	36	70	0	0	1	2	534.62	0.001475	Sulfidic compounds
2997	54	70	0	0	1	20	750.62	0.000168	Sulfidic compounds
2998	52	70	0	0	1	18	726.62	0.000733	Sulfidic compounds
2999	49	70	0	0	1	15	690.62	0.000955	Sulfidic compounds
3000	51	70	0	0	1	17	714.62	0.000844	Sulfidic compounds
3001	47	70	0	0	1	13	666.62	0.000702	Sulfidic compounds
3002	46	70	0	0	1	12	654.62	0.000598	Sulfidic compounds
3003	48	70	0	0	1	14	678.62	0.000832	Sulfidic compounds
3004	41	70	0	0	1	7	594.62	0.001646	Sulfidic compounds
3005	45	70	0	0	1	11	642.62	0.000711	Sulfidic compounds
3006	53	70	0	0	1	19	738.62	0.000503	Sulfidic compounds
3007	42	70	0	0	1	8	606.62	0.001162	Sulfidic compounds
3008	50	70	0	0	1	16	702.62	0.000764	Sulfidic compounds
3009	44	70	0	0	1	10	630.62	0.000841	Sulfidic compounds
3010	43	70	0	0	1	9	618.62	0.001078	Sulfidic compounds
3011	55	70	0	0	1	21	762.62	9.3e-05	Sulfidic compounds
3012	42	72	0	0	1	7	608.636	0.001312	Sulfidic compounds
3013	43	72	0	0	1	8	620.636	0.000983	Sulfidic compounds
3014	35	72	0	0	1	0	524.636	2.9e-05	Sulfidic compounds
3015	36	72	0	0	1	1	536.636	0.000958	Sulfidic compounds
3016	37	72	0	0	1	2	548.636	0.001093	Sulfidic compounds
3017	41	72	0	0	1	6	596.636	0.001869	Sulfidic compounds
3018	55	72	0	0	1	20	764.636	0.000234	Sulfidic compounds
3019	53	72	0	0	1	18	740.636	0.000473	Sulfidic compounds
3020	50	72	0	0	1	15	704.636	0.000753	Sulfidic compounds
3021	39	72	0	0	1	4	572.636	0.002644	Sulfidic compounds
3022	52	72	0	0	1	17	728.636	0.000688	Sulfidic compounds
3023	38	72	0	0	1	3	560.636	0.002291	Sulfidic compounds
3024	49	72	0	0	1	14	692.636	0.000634	Sulfidic compounds
3025	47	72	0	0	1	12	668.636	0.000525	Sulfidic compounds
3026	44	72	0	0	1	9	632.636	0.001175	Sulfidic compounds
3027	48	72	0	0	1	13	680.636	0.000521	Sulfidic compounds
3028	51	72	0	0	1	16	716.636	0.000597	Sulfidic compounds
3029	54	72	0	0	1	19	752.636	0.000256	Sulfidic compounds
3030	46	72	0	0	1	11	656.636	0.00068	Sulfidic compounds
3031	40	72	0	0	1	5	584.636	0.002322	Sulfidic compounds
3032	45	72	0	0	1	10	644.636	0.000474	Sulfidic compounds
3033	40	74	0	0	1	4	586.652	0.00182	Sulfidic compounds
3034	38	74	0	0	1	2	562.652	0.000808	Sulfidic compounds
3035	45	74	0	0	1	9	646.652	0.000754	Sulfidic compounds
3036	41	74	0	0	1	5	598.652	0.001948	Sulfidic compounds
3037	39	74	0	0	1	3	574.652	0.001735	Sulfidic compounds
3038	37	74	0	0	1	1	550.652	0.000611	Sulfidic compounds
3039	43	74	0	0	1	7	622.652	0.001056	Sulfidic compounds
3040	54	74	0	0	1	18	754.652	0.000299	Sulfidic compounds
3041	42	74	0	0	1	6	610.652	0.001338	Sulfidic compounds
3042	53	74	0	0	1	17	742.652	0.000507	Sulfidic compounds
3043	51	74	0	0	1	15	718.652	0.000597	Sulfidic compounds
3044	46	74	0	0	1	10	658.652	0.000596	Sulfidic compounds
3045	50	74	0	0	1	14	706.652	0.000628	Sulfidic compounds
3046	55	74	0	0	1	19	766.652	0.000189	Sulfidic compounds
3047	52	74	0	0	1	16	730.652	0.000495	Sulfidic compounds
3048	44	74	0	0	1	8	634.652	0.000696	Sulfidic compounds
3049	47	74	0	0	1	11	670.652	0.000384	Sulfidic compounds
3050	48	74	0	0	1	12	682.652	0.000428	Sulfidic compounds
3051	49	74	0	0	1	13	694.652	0.00046	Sulfidic compounds
3052	40	76	0	0	1	3	588.668	0.001291	Sulfidic compounds
3053	45	76	0	0	1	8	648.668	0.000532	Sulfidic compounds
3054	48	76	0	0	1	11	684.668	0.000411	Sulfidic compounds
3055	39	76	0	0	1	2	576.668	0.000576	Sulfidic compounds
3056	41	76	0	0	1	4	600.668	0.001545	Sulfidic compounds
3057	38	76	0	0	1	1	564.668	0.000502	Sulfidic compounds
3058	46	76	0	0	1	9	660.668	0.00052	Sulfidic compounds
3059	42	76	0	0	1	5	612.668	0.001359	Sulfidic compounds
3060	44	76	0	0	1	7	636.668	0.00083	Sulfidic compounds
3061	55	76	0	0	1	18	768.668	2.5e-05	Sulfidic compounds
3062	52	76	0	0	1	15	732.668	0.000274	Sulfidic compounds
3063	43	76	0	0	1	6	624.668	0.001021	Sulfidic compounds
3064	54	76	0	0	1	17	756.668	0.000347	Sulfidic compounds
3065	51	76	0	0	1	14	720.668	0.000522	Sulfidic compounds
3066	47	76	0	0	1	10	672.668	0.000313	Sulfidic compounds
3067	49	76	0	0	1	12	696.668	0.000277	Sulfidic compounds
3068	53	76	0	0	1	16	744.668	0.000256	Sulfidic compounds
3069	50	76	0	0	1	13	708.668	0.000386	Sulfidic compounds
3070	39	78	0	0	1	1	578.684	0.000202	Sulfidic compounds
3071	51	78	0	0	1	13	722.684	0.000342	Sulfidic compounds
3072	48	78	0	0	1	10	686.684	0.000344	Sulfidic compounds
3073	41	78	0	0	1	3	602.684	0.000975	Sulfidic compounds
3074	40	78	0	0	1	2	590.684	0.000399	Sulfidic compounds
3075	54	78	0	0	1	16	758.684	0.00029	Sulfidic compounds
3076	46	78	0	0	1	8	662.684	0.000365	Sulfidic compounds
3077	50	78	0	0	1	12	710.684	0.000241	Sulfidic compounds
3078	47	78	0	0	1	9	674.684	0.000267	Sulfidic compounds
3079	44	78	0	0	1	6	638.684	0.000886	Sulfidic compounds
3080	43	78	0	0	1	5	626.684	0.001038	Sulfidic compounds
3081	42	78	0	0	1	4	614.684	0.001152	Sulfidic compounds
3082	45	78	0	0	1	7	650.684	0.000491	Sulfidic compounds
3083	53	78	0	0	1	15	746.684	0.000214	Sulfidic compounds
3084	52	78	0	0	1	14	734.684	0.000345	Sulfidic compounds
3085	49	78	0	0	1	11	698.684	0.000239	Sulfidic compounds
3086	45	80	0	0	1	6	652.7	0.000652	Sulfidic compounds
3087	50	80	0	0	1	11	712.7	0.000208	Sulfidic compounds
3088	51	80	0	0	1	12	724.7	9.1e-05	Sulfidic compounds
3089	44	80	0	0	1	5	640.7	0.000878	Sulfidic compounds
3090	42	80	0	0	1	3	616.7	0.000672	Sulfidic compounds
3091	40	80	0	0	1	1	592.7	0.00013	Sulfidic compounds
3092	49	80	0	0	1	10	700.7	0.000241	Sulfidic compounds
3093	52	80	0	0	1	13	736.7	0.000201	Sulfidic compounds
3094	41	80	0	0	1	2	604.7	0.000171	Sulfidic compounds
3095	46	80	0	0	1	7	664.7	0.000452	Sulfidic compounds
3096	47	80	0	0	1	8	676.7	0.000316	Sulfidic compounds
3097	48	80	0	0	1	9	688.7	0.000254	Sulfidic compounds
3098	43	80	0	0	1	4	628.7	0.000888	Sulfidic compounds
3099	54	80	0	0	1	15	760.7	0.000132	Sulfidic compounds
3100	53	80	0	0	1	14	748.7	0.000172	Sulfidic compounds
3101	42	82	0	0	1	2	618.716	0.000145	Sulfidic compounds
3102	45	82	0	0	1	5	654.716	0.000517	Sulfidic compounds
3103	43	82	0	0	1	3	630.716	0.000567	Sulfidic compounds
3104	44	82	0	0	1	4	642.716	0.000562	Sulfidic compounds
3105	47	82	0	0	1	7	678.716	0.000139	Sulfidic compounds
3106	49	82	0	0	1	9	702.716	0.000195	Sulfidic compounds
3107	46	82	0	0	1	6	666.716	0.000362	Sulfidic compounds
3108	52	82	0	0	1	12	738.716	0.000214	Sulfidic compounds
3109	51	82	0	0	1	11	726.716	0.000114	Sulfidic compounds
3110	48	82	0	0	1	8	690.716	0.0002	Sulfidic compounds
3111	53	82	0	0	1	13	750.716	2.5e-05	Sulfidic compounds
3112	41	82	0	0	1	1	606.716	0.000118	Sulfidic compounds
3113	50	82	0	0	1	10	714.716	0.000227	Sulfidic compounds
3114	54	82	0	0	1	14	762.716	4.2e-05	Sulfidic compounds
3115	42	84	0	0	1	1	620.732	7.1e-05	Sulfidic compounds
3116	50	84	0	0	1	9	716.732	0.000178	Sulfidic compounds
3117	46	84	0	0	1	5	668.732	0.000404	Sulfidic compounds
3118	44	84	0	0	1	3	644.732	0.000412	Sulfidic compounds
3119	45	84	0	0	1	4	656.732	0.000426	Sulfidic compounds
3120	48	84	0	0	1	7	692.732	8.1e-05	Sulfidic compounds
3121	52	84	0	0	1	11	740.732	0.000203	Sulfidic compounds
3122	53	84	0	0	1	12	752.732	0.000137	Sulfidic compounds
3123	47	84	0	0	1	6	680.732	0.00021	Sulfidic compounds
3124	54	84	0	0	1	13	764.732	7.9e-05	Sulfidic compounds
3125	51	84	0	0	1	10	728.732	6.6e-05	Sulfidic compounds
3126	49	84	0	0	1	8	704.732	5.5e-05	Sulfidic compounds
3127	51	86	0	0	1	9	730.748	7.6e-05	Sulfidic compounds
3128	50	86	0	0	1	8	718.748	5.4e-05	Sulfidic compounds
3129	47	86	0	0	1	5	682.748	0.000276	Sulfidic compounds
3130	46	86	0	0	1	4	670.748	0.000169	Sulfidic compounds
3131	45	86	0	0	1	3	658.748	0.00019	Sulfidic compounds
3132	53	86	0	0	1	11	754.748	6.1e-05	Sulfidic compounds
3133	54	86	0	0	1	12	766.748	4.7e-05	Sulfidic compounds
3134	48	86	0	0	1	6	694.748	0.000109	Sulfidic compounds
3135	49	86	0	0	1	7	706.748	0.000112	Sulfidic compounds
3136	52	86	0	0	1	10	742.748	5.3e-05	Sulfidic compounds
3137	46	88	0	0	1	3	672.764	9.4e-05	Sulfidic compounds
3138	47	88	0	0	1	4	684.764	0.000127	Sulfidic compounds
3139	49	88	0	0	1	6	708.764	5.6e-05	Sulfidic compounds
3140	50	88	0	0	1	7	720.764	6.1e-05	Sulfidic compounds
3141	51	88	0	0	1	8	732.764	7e-05	Sulfidic compounds
3142	53	88	0	0	1	10	756.764	7.1e-05	Sulfidic compounds
3143	48	88	0	0	1	5	696.764	8.4e-05	Sulfidic compounds
3144	52	88	0	0	1	9	744.764	5.6e-05	Sulfidic compounds
3145	54	88	0	0	1	11	768.764	5.8e-05	Sulfidic compounds
3146	48	90	0	0	1	4	698.78	9.5e-05	Sulfidic compounds
3147	47	90	0	0	1	3	686.78	0.000102	Sulfidic compounds
3148	50	90	0	0	1	6	722.78	4.5e-05	Sulfidic compounds
3149	51	90	0	0	1	7	734.78	5.1e-05	Sulfidic compounds
3150	49	90	0	0	1	5	710.78	0.000106	Sulfidic compounds
3151	49	92	0	0	1	4	712.796	5.1e-05	Sulfidic compounds
3152	48	92	0	0	1	3	700.796	2.5e-05	Sulfidic compounds
3153	51	92	0	0	1	6	736.796	5.5e-05	Sulfidic compounds
3154	50	92	0	0	1	5	724.796	2.7e-05	Sulfidic compounds
3155	51	94	0	0	1	5	738.812	2.9e-05	Sulfidic compounds
3156	15	10	0	0	2	11	254.2	0.000541	Thiophenic compounds
3157	13	10	0	0	1	9	198.14	3.7e-05	Thiophenic compounds
3158	14	10	0	0	1	10	210.14	0.001222	Thiophenic compounds
3159	16	10	0	0	2	12	266.2	2.1e-05	Thiophenic compounds
3160	15	10	0	0	1	11	222.14	0.003258	Thiophenic compounds
3161	16	10	0	0	1	12	234.14	0.001866	Thiophenic compounds
3162	17	10	0	0	1	13	246.14	0.000201	Thiophenic compounds
3163	18	10	0	0	1	14	258.14	8.1e-05	Thiophenic compounds
3164	19	10	0	0	1	15	270.14	9.9e-05	Thiophenic compounds
3165	21	10	0	0	1	17	294.14	4e-05	Thiophenic compounds
3166	13	12	0	0	2	8	232.216	2e-05	Thiophenic compounds
3167	12	12	0	0	1	7	188.156	0.000205	Thiophenic compounds
3168	13	12	0	0	1	8	200.156	4.8e-05	Thiophenic compounds
3169	16	12	0	0	2	11	268.216	0.003977	Thiophenic compounds
3170	14	12	0	0	1	9	212.156	0.010845	Thiophenic compounds
3171	15	12	0	0	1	10	224.156	0.005324	Thiophenic compounds
3172	17	12	0	0	2	12	280.216	5.9e-05	Thiophenic compounds
3173	16	12	0	0	1	11	236.156	0.016524	Thiophenic compounds
3174	17	12	0	0	1	12	248.156	0.017893	Thiophenic compounds
3175	18	12	0	0	1	13	260.156	0.000874	Thiophenic compounds
3176	19	12	0	0	1	14	272.156	0.000945	Thiophenic compounds
3177	20	12	0	0	1	15	284.156	6.2e-05	Thiophenic compounds
3178	22	12	0	0	1	17	308.156	7.8e-05	Thiophenic compounds
3179	14	14	0	0	2	8	246.232	0.000631	Thiophenic compounds
3180	13	14	0	0	1	7	202.172	0.000422	Thiophenic compounds
3181	14	14	0	0	1	8	214.172	0.000403	Thiophenic compounds
3182	17	14	0	0	2	11	282.232	0.010664	Thiophenic compounds
3183	15	14	0	0	1	9	226.172	0.065583	Thiophenic compounds
3184	16	14	0	0	1	10	238.172	0.031619	Thiophenic compounds
3185	18	14	0	0	2	12	294.232	0.000173	Thiophenic compounds
3186	17	14	0	0	1	11	250.172	0.038233	Thiophenic compounds
3187	19	14	0	0	2	13	306.232	4.7e-05	Thiophenic compounds
3188	18	14	0	0	1	12	262.172	0.055732	Thiophenic compounds
3189	19	14	0	0	1	13	274.172	0.008099	Thiophenic compounds
3190	20	14	0	0	2	14	318.232	8.9e-05	Thiophenic compounds
3191	20	14	0	0	1	14	286.172	0.002527	Thiophenic compounds
3192	21	14	0	0	1	15	298.172	0.000969	Thiophenic compounds
3193	23	14	0	0	1	17	322.172	8.4e-05	Thiophenic compounds
3194	15	16	0	0	2	8	260.248	0.002124	Thiophenic compounds
3195	13	16	0	0	1	6	204.188	0.001082	Thiophenic compounds
3196	16	16	0	0	2	9	272.248	5e-05	Thiophenic compounds
3197	14	16	0	0	1	7	216.188	0.002178	Thiophenic compounds
3198	17	16	0	0	2	10	284.248	2.7e-05	Thiophenic compounds
3199	15	16	0	0	1	8	228.188	0.001105	Thiophenic compounds
3200	18	16	0	0	2	11	296.248	0.019796	Thiophenic compounds
3201	16	16	0	0	1	9	240.188	0.164922	Thiophenic compounds
3202	17	16	0	0	1	10	252.188	0.108098	Thiophenic compounds
3203	19	16	0	0	2	12	308.248	0.001163	Thiophenic compounds
3204	18	16	0	0	1	11	264.188	0.062003	Thiophenic compounds
3205	20	16	0	0	2	13	320.248	0.000112	Thiophenic compounds
3206	19	16	0	0	1	12	276.188	0.09842	Thiophenic compounds
3207	20	16	0	0	1	13	288.188	0.030659	Thiophenic compounds
3208	21	16	0	0	2	14	332.248	0.000273	Thiophenic compounds
3209	21	16	0	0	1	14	300.188	0.00633	Thiophenic compounds
3210	22	16	0	0	2	15	344.248	5.9e-05	Thiophenic compounds
3211	22	16	0	0	1	15	312.188	0.003474	Thiophenic compounds
3212	23	16	0	0	1	16	324.188	0.000605	Thiophenic compounds
3213	24	16	0	0	1	17	336.188	5.5e-05	Thiophenic compounds
3214	16	18	0	0	2	8	274.264	0.004945	Thiophenic compounds
3215	14	18	0	0	1	6	218.204	0.009173	Thiophenic compounds
3216	17	18	0	0	2	9	286.264	0.000325	Thiophenic compounds
3217	15	18	0	0	1	7	230.204	0.008154	Thiophenic compounds
3218	18	18	0	0	2	10	298.264	4.6e-05	Thiophenic compounds
3219	16	18	0	0	1	8	242.204	0.003616	Thiophenic compounds
3220	19	18	0	0	2	11	310.264	0.032732	Thiophenic compounds
3221	17	18	0	0	1	9	254.204	0.26372	Thiophenic compounds
3222	18	18	0	0	1	10	266.204	0.22589	Thiophenic compounds
3223	20	18	0	0	2	12	322.264	0.002434	Thiophenic compounds
3224	19	18	0	0	1	11	278.204	0.087411	Thiophenic compounds
3225	21	18	0	0	2	13	334.264	0.000553	Thiophenic compounds
3226	20	18	0	0	1	12	290.204	0.133415	Thiophenic compounds
3227	21	18	0	0	1	13	302.204	0.065062	Thiophenic compounds
3228	22	18	0	0	2	14	346.264	0.000993	Thiophenic compounds
3229	22	18	0	0	1	14	314.204	0.014116	Thiophenic compounds
3230	23	18	0	0	2	15	358.264	0.000656	Thiophenic compounds
3231	23	18	0	0	1	15	326.204	0.005724	Thiophenic compounds
3232	24	18	0	0	1	16	338.204	0.003041	Thiophenic compounds
3233	25	18	0	0	1	17	350.204	0.001163	Thiophenic compounds
3234	17	20	0	0	2	8	288.28	0.009623	Thiophenic compounds
3235	15	20	0	0	1	6	232.22	0.019787	Thiophenic compounds
3236	18	20	0	0	2	9	300.28	0.001047	Thiophenic compounds
3237	16	20	0	0	1	7	244.22	0.019385	Thiophenic compounds
3238	19	20	0	0	2	10	312.28	0.000423	Thiophenic compounds
3239	17	20	0	0	1	8	256.22	0.009937	Thiophenic compounds
3240	20	20	0	0	2	11	324.28	0.047272	Thiophenic compounds
3241	18	20	0	0	1	9	268.22	0.33815	Thiophenic compounds
3242	19	20	0	0	1	10	280.22	0.35669	Thiophenic compounds
3243	21	20	0	0	2	12	336.28	0.004427	Thiophenic compounds
3244	20	20	0	0	1	11	292.22	0.121706	Thiophenic compounds
3245	22	20	0	0	2	13	348.28	0.001392	Thiophenic compounds
3246	21	20	0	0	1	12	304.22	0.161001	Thiophenic compounds
3247	22	20	0	0	1	13	316.22	0.099251	Thiophenic compounds
3248	23	20	0	0	2	14	360.28	0.002311	Thiophenic compounds
3249	23	20	0	0	1	14	328.22	0.026985	Thiophenic compounds
3250	24	20	0	0	2	15	372.28	0.001133	Thiophenic compounds
3251	24	20	0	0	1	15	340.22	0.009224	Thiophenic compounds
3252	25	20	0	0	1	16	352.22	0.006625	Thiophenic compounds
3253	26	20	0	0	1	17	364.22	0.001351	Thiophenic compounds
3254	27	20	0	0	1	18	376.22	0.000269	Thiophenic compounds
3255	18	22	0	0	2	8	302.296	0.014593	Thiophenic compounds
3256	16	22	0	0	1	6	246.236	0.036468	Thiophenic compounds
3257	19	22	0	0	2	9	314.296	0.001961	Thiophenic compounds
3258	17	22	0	0	1	7	258.236	0.034321	Thiophenic compounds
3259	20	22	0	0	2	10	326.296	0.000831	Thiophenic compounds
3260	18	22	0	0	1	8	270.236	0.024294	Thiophenic compounds
3261	21	22	0	0	2	11	338.296	0.050669	Thiophenic compounds
3262	19	22	0	0	1	9	282.236	0.386413	Thiophenic compounds
3263	20	22	0	0	1	10	294.236	0.379479	Thiophenic compounds
3264	22	22	0	0	2	12	350.296	0.007251	Thiophenic compounds
3265	21	22	0	0	1	11	306.236	0.15947	Thiophenic compounds
3266	23	22	0	0	2	13	362.296	0.002019	Thiophenic compounds
3267	22	22	0	0	1	12	318.236	0.167088	Thiophenic compounds
3268	23	22	0	0	1	13	330.236	0.133663	Thiophenic compounds
3269	24	22	0	0	2	14	374.296	0.00293	Thiophenic compounds
3270	24	22	0	0	1	14	342.236	0.044137	Thiophenic compounds
3271	25	22	0	0	2	15	386.296	0.001799	Thiophenic compounds
3272	25	22	0	0	1	15	354.236	0.013119	Thiophenic compounds
3273	26	22	0	0	2	16	398.296	3.6e-05	Thiophenic compounds
3274	26	22	0	0	1	16	366.236	0.010908	Thiophenic compounds
3275	27	22	0	0	1	17	378.236	0.003113	Thiophenic compounds
3276	28	22	0	0	1	18	390.236	0.000952	Thiophenic compounds
3277	29	22	0	0	1	19	402.236	0.000112	Thiophenic compounds
3278	16	24	0	0	1	5	248.252	1.8e-05	Thiophenic compounds
3279	19	24	0	0	2	8	316.312	0.017702	Thiophenic compounds
3280	17	24	0	0	1	6	260.252	0.06201	Thiophenic compounds
3281	20	24	0	0	2	9	328.312	0.002747	Thiophenic compounds
3282	18	24	0	0	1	7	272.252	0.051124	Thiophenic compounds
3283	21	24	0	0	2	10	340.312	0.001451	Thiophenic compounds
3284	19	24	0	0	1	8	284.252	0.045403	Thiophenic compounds
3285	22	24	0	0	2	11	352.312	0.043809	Thiophenic compounds
3286	20	24	0	0	1	9	296.252	0.389284	Thiophenic compounds
3287	21	24	0	0	1	10	308.252	0.331614	Thiophenic compounds
3288	23	24	0	0	2	12	364.312	0.009421	Thiophenic compounds
3289	22	24	0	0	1	11	320.252	0.188509	Thiophenic compounds
3290	24	24	0	0	2	13	376.312	0.002556	Thiophenic compounds
3291	23	24	0	0	1	12	332.252	0.154707	Thiophenic compounds
3292	24	24	0	0	1	13	344.252	0.157739	Thiophenic compounds
3293	25	24	0	0	2	14	388.312	0.003528	Thiophenic compounds
3294	25	24	0	0	1	14	356.252	0.060738	Thiophenic compounds
3295	26	24	0	0	2	15	400.312	0.00245	Thiophenic compounds
3296	26	24	0	0	1	15	368.252	0.018213	Thiophenic compounds
3297	27	24	0	0	2	16	412.312	4.5e-05	Thiophenic compounds
3298	27	24	0	0	1	16	380.252	0.01449	Thiophenic compounds
3299	28	24	0	0	2	17	424.312	3.5e-05	Thiophenic compounds
3300	28	24	0	0	1	17	392.252	0.006063	Thiophenic compounds
3301	29	24	0	0	1	18	404.252	0.002869	Thiophenic compounds
3302	30	24	0	0	1	19	416.252	0.000347	Thiophenic compounds
3303	32	24	0	0	1	21	440.252	7.6e-05	Thiophenic compounds
3304	16	26	0	0	1	4	250.268	2.2e-05	Thiophenic compounds
3305	17	26	0	0	1	5	262.268	0.000158	Thiophenic compounds
3306	20	26	0	0	2	8	330.328	0.019413	Thiophenic compounds
3307	18	26	0	0	1	6	274.268	0.101653	Thiophenic compounds
3308	21	26	0	0	2	9	342.328	0.003531	Thiophenic compounds
3309	19	26	0	0	1	7	286.268	0.073099	Thiophenic compounds
3310	22	26	0	0	2	10	354.328	0.001813	Thiophenic compounds
3311	20	26	0	0	1	8	298.268	0.068586	Thiophenic compounds
3312	21	26	0	0	1	9	310.268	0.389348	Thiophenic compounds
3313	23	26	0	0	2	11	366.328	0.037668	Thiophenic compounds
3314	22	26	0	0	1	10	322.268	0.263596	Thiophenic compounds
3315	24	26	0	0	2	12	378.328	0.010156	Thiophenic compounds
3316	23	26	0	0	1	11	334.268	0.186194	Thiophenic compounds
3317	25	26	0	0	2	13	390.328	0.002841	Thiophenic compounds
3318	24	26	0	0	1	12	346.268	0.13733	Thiophenic compounds
3319	25	26	0	0	1	13	358.268	0.160796	Thiophenic compounds
3320	26	26	0	0	2	14	402.328	0.003156	Thiophenic compounds
3321	26	26	0	0	1	14	370.268	0.070127	Thiophenic compounds
3322	27	26	0	0	2	15	414.328	0.002779	Thiophenic compounds
3323	27	26	0	0	1	15	382.268	0.023232	Thiophenic compounds
3324	28	26	0	0	2	16	426.328	0.000226	Thiophenic compounds
3325	28	26	0	0	1	16	394.268	0.017997	Thiophenic compounds
3326	29	26	0	0	2	17	438.328	6.4e-05	Thiophenic compounds
3327	29	26	0	0	1	17	406.268	0.00774	Thiophenic compounds
3328	30	26	0	0	1	18	418.268	0.003229	Thiophenic compounds
3329	30	26	0	0	2	18	450.328	4.6e-05	Thiophenic compounds
3330	31	26	0	0	1	19	430.268	0.000314	Thiophenic compounds
3331	32	26	0	0	1	20	442.268	0.000101	Thiophenic compounds
3332	33	26	0	0	1	21	454.268	3.5e-05	Thiophenic compounds
3333	16	28	0	0	1	3	252.284	3.9e-05	Thiophenic compounds
3334	17	28	0	0	1	4	264.284	0.000189	Thiophenic compounds
3335	18	28	0	0	1	5	276.284	0.000421	Thiophenic compounds
3336	21	28	0	0	2	8	344.344	0.018806	Thiophenic compounds
3337	19	28	0	0	1	6	288.284	0.164883	Thiophenic compounds
3338	22	28	0	0	2	9	356.344	0.003782	Thiophenic compounds
3339	20	28	0	0	1	7	300.284	0.099053	Thiophenic compounds
3340	23	28	0	0	2	10	368.344	0.001719	Thiophenic compounds
3341	21	28	0	0	1	8	312.284	0.085886	Thiophenic compounds
3342	22	28	0	0	1	9	324.284	0.369648	Thiophenic compounds
3343	24	28	0	0	2	11	380.344	0.028699	Thiophenic compounds
3344	23	28	0	0	1	10	336.284	0.210271	Thiophenic compounds
3345	25	28	0	0	2	12	392.344	0.009295	Thiophenic compounds
3346	24	28	0	0	1	11	348.284	0.170607	Thiophenic compounds
3347	26	28	0	0	2	13	404.344	0.003272	Thiophenic compounds
3348	25	28	0	0	1	12	360.284	0.125841	Thiophenic compounds
3349	26	28	0	0	1	13	372.284	0.142855	Thiophenic compounds
3350	27	28	0	0	2	14	416.344	0.003212	Thiophenic compounds
3351	27	28	0	0	1	14	384.284	0.067631	Thiophenic compounds
3352	28	28	0	0	2	15	428.344	0.002788	Thiophenic compounds
3353	28	28	0	0	1	15	396.284	0.026051	Thiophenic compounds
3354	29	28	0	0	2	16	440.344	0.000349	Thiophenic compounds
3355	29	28	0	0	1	16	408.284	0.019151	Thiophenic compounds
3356	30	28	0	0	1	17	420.284	0.009341	Thiophenic compounds
3357	31	28	0	0	1	18	432.284	0.004446	Thiophenic compounds
3358	31	28	0	0	2	18	464.344	6.7e-05	Thiophenic compounds
3359	32	28	0	0	1	19	444.284	0.000687	Thiophenic compounds
3360	33	28	0	0	1	20	456.284	0.000267	Thiophenic compounds
3361	34	28	0	0	1	21	468.284	7.6e-05	Thiophenic compounds
3362	17	30	0	0	1	3	266.3	0.000109	Thiophenic compounds
3363	18	30	0	0	1	4	278.3	0.000279	Thiophenic compounds
3364	19	30	0	0	1	5	290.3	0.000751	Thiophenic compounds
3365	22	30	0	0	2	8	358.36	0.016147	Thiophenic compounds
3366	20	30	0	0	1	6	302.3	0.263987	Thiophenic compounds
3367	23	30	0	0	2	9	370.36	0.003491	Thiophenic compounds
3368	21	30	0	0	1	7	314.3	0.12522	Thiophenic compounds
3369	24	30	0	0	2	10	382.36	0.001928	Thiophenic compounds
3370	22	30	0	0	1	8	326.3	0.094798	Thiophenic compounds
3371	23	30	0	0	1	9	338.3	0.343646	Thiophenic compounds
3372	25	30	0	0	2	11	394.36	0.020714	Thiophenic compounds
3373	24	30	0	0	1	10	350.3	0.174785	Thiophenic compounds
3374	26	30	0	0	2	12	406.36	0.008103	Thiophenic compounds
3375	25	30	0	0	1	11	362.3	0.145576	Thiophenic compounds
3376	27	30	0	0	2	13	418.36	0.003304	Thiophenic compounds
3377	26	30	0	0	1	12	374.3	0.121188	Thiophenic compounds
3378	27	30	0	0	1	13	386.3	0.113373	Thiophenic compounds
3379	28	30	0	0	2	14	430.36	0.002835	Thiophenic compounds
3380	28	30	0	0	1	14	398.3	0.063915	Thiophenic compounds
3381	29	30	0	0	2	15	442.36	0.002268	Thiophenic compounds
3382	29	30	0	0	1	15	410.3	0.025993	Thiophenic compounds
3383	30	30	0	0	2	16	454.36	0.000257	Thiophenic compounds
3384	30	30	0	0	1	16	422.3	0.017514	Thiophenic compounds
3385	31	30	0	0	1	17	434.3	0.00979	Thiophenic compounds
3386	32	30	0	0	1	18	446.3	0.00486	Thiophenic compounds
3387	32	30	0	0	2	18	478.36	4.3e-05	Thiophenic compounds
3388	33	30	0	0	1	19	458.3	0.001125	Thiophenic compounds
3389	34	30	0	0	1	20	470.3	0.000431	Thiophenic compounds
3390	35	30	0	0	1	21	482.3	0.000302	Thiophenic compounds
3391	37	30	0	0	1	23	506.3	7.5e-05	Thiophenic compounds
3392	18	32	0	0	1	3	280.316	0.000531	Thiophenic compounds
3393	19	32	0	0	1	4	292.316	0.000458	Thiophenic compounds
3394	20	32	0	0	1	5	304.316	0.001433	Thiophenic compounds
3395	23	32	0	0	2	8	372.376	0.014636	Thiophenic compounds
3396	21	32	0	0	1	6	316.316	0.381801	Thiophenic compounds
3397	24	32	0	0	2	9	384.376	0.002769	Thiophenic compounds
3398	22	32	0	0	1	7	328.316	0.142559	Thiophenic compounds
3399	25	32	0	0	2	10	396.376	0.001198	Thiophenic compounds
3400	23	32	0	0	1	8	340.316	0.097445	Thiophenic compounds
3401	24	32	0	0	1	9	352.316	0.310183	Thiophenic compounds
3402	26	32	0	0	2	11	408.376	0.014861	Thiophenic compounds
3403	25	32	0	0	1	10	364.316	0.150968	Thiophenic compounds
3404	27	32	0	0	2	12	420.376	0.006571	Thiophenic compounds
3405	26	32	0	0	1	11	376.316	0.125245	Thiophenic compounds
3406	28	32	0	0	2	13	432.376	0.002804	Thiophenic compounds
3407	27	32	0	0	1	12	388.316	0.108616	Thiophenic compounds
3408	28	32	0	0	1	13	400.316	0.088626	Thiophenic compounds
3409	29	32	0	0	2	14	444.376	0.002538	Thiophenic compounds
3410	29	32	0	0	1	14	412.316	0.052472	Thiophenic compounds
3411	30	32	0	0	2	15	456.376	0.001767	Thiophenic compounds
3412	30	32	0	0	1	15	424.316	0.024371	Thiophenic compounds
3413	31	32	0	0	2	16	468.376	0.00038	Thiophenic compounds
3414	31	32	0	0	1	16	436.316	0.01622	Thiophenic compounds
3415	32	32	0	0	2	17	480.376	4.3e-05	Thiophenic compounds
3416	32	32	0	0	1	17	448.316	0.008654	Thiophenic compounds
3417	33	32	0	0	1	18	460.316	0.004987	Thiophenic compounds
3418	33	32	0	0	2	18	492.376	3.6e-05	Thiophenic compounds
3419	34	32	0	0	1	19	472.316	0.001595	Thiophenic compounds
3420	35	32	0	0	1	20	484.316	0.001085	Thiophenic compounds
3421	36	32	0	0	1	21	496.316	0.001127	Thiophenic compounds
3422	37	32	0	0	1	22	508.316	0.000247	Thiophenic compounds
3423	38	32	0	0	1	23	520.316	0.000293	Thiophenic compounds
3424	39	32	0	0	1	24	532.316	0.000145	Thiophenic compounds
3425	40	32	0	0	1	25	544.316	0.000117	Thiophenic compounds
3426	19	34	0	0	1	3	294.332	0.001025	Thiophenic compounds
3427	20	34	0	0	1	4	306.332	0.000917	Thiophenic compounds
3428	21	34	0	0	1	5	318.332	0.002138	Thiophenic compounds
3429	24	34	0	0	2	8	386.392	0.012248	Thiophenic compounds
3430	22	34	0	0	1	6	330.332	0.452408	Thiophenic compounds
3431	25	34	0	0	2	9	398.392	0.002365	Thiophenic compounds
3432	23	34	0	0	1	7	342.332	0.150793	Thiophenic compounds
3433	26	34	0	0	2	10	410.392	0.001012	Thiophenic compounds
3434	24	34	0	0	1	8	354.332	0.093471	Thiophenic compounds
3435	25	34	0	0	1	9	366.332	0.269275	Thiophenic compounds
3436	27	34	0	0	2	11	422.392	0.01051	Thiophenic compounds
3437	26	34	0	0	1	10	378.332	0.13031	Thiophenic compounds
3438	28	34	0	0	2	12	434.392	0.005399	Thiophenic compounds
3439	27	34	0	0	1	11	390.332	0.099918	Thiophenic compounds
3440	28	34	0	0	1	12	402.332	0.086587	Thiophenic compounds
3441	29	34	0	0	2	13	446.392	0.002461	Thiophenic compounds
3442	29	34	0	0	1	13	414.332	0.067105	Thiophenic compounds
3443	30	34	0	0	2	14	458.392	0.001952	Thiophenic compounds
3444	30	34	0	0	1	14	426.332	0.04172	Thiophenic compounds
3445	31	34	0	0	2	15	470.392	0.001518	Thiophenic compounds
3446	31	34	0	0	1	15	438.332	0.021678	Thiophenic compounds
3447	32	34	0	0	2	16	482.392	0.000396	Thiophenic compounds
3448	32	34	0	0	1	16	450.332	0.013188	Thiophenic compounds
3449	33	34	0	0	2	17	494.392	3.8e-05	Thiophenic compounds
3450	33	34	0	0	1	17	462.332	0.007767	Thiophenic compounds
3451	34	34	0	0	1	18	474.332	0.004649	Thiophenic compounds
3452	34	34	0	0	2	18	506.392	4.3e-05	Thiophenic compounds
3453	35	34	0	0	1	19	486.332	0.002027	Thiophenic compounds
3454	36	34	0	0	2	20	530.392	4.2e-05	Thiophenic compounds
3455	36	34	0	0	1	20	498.332	0.001804	Thiophenic compounds
3456	37	34	0	0	1	21	510.332	0.002384	Thiophenic compounds
3457	38	34	0	0	1	22	522.332	0.001029	Thiophenic compounds
3458	39	34	0	0	1	23	534.332	0.001099	Thiophenic compounds
3459	39	34	0	0	2	23	566.392	8.8e-05	Thiophenic compounds
3460	40	34	0	0	1	24	546.332	0.001016	Thiophenic compounds
3461	40	34	0	0	2	24	578.392	5.5e-05	Thiophenic compounds
3462	41	34	0	0	1	25	558.332	5.2e-05	Thiophenic compounds
3463	20	36	0	0	1	3	308.348	0.00164	Thiophenic compounds
3464	21	36	0	0	1	4	320.348	0.001733	Thiophenic compounds
3465	22	36	0	0	1	5	332.348	0.002743	Thiophenic compounds
3466	25	36	0	0	2	8	400.408	0.01076	Thiophenic compounds
3467	23	36	0	0	1	6	344.348	0.469732	Thiophenic compounds
3468	26	36	0	0	2	9	412.408	0.001592	Thiophenic compounds
3469	24	36	0	0	1	7	356.348	0.150066	Thiophenic compounds
3470	27	36	0	0	2	10	424.408	0.0003	Thiophenic compounds
3471	25	36	0	0	1	8	368.348	0.08822	Thiophenic compounds
3472	26	36	0	0	1	9	380.348	0.226389	Thiophenic compounds
3473	28	36	0	0	2	11	436.408	0.007719	Thiophenic compounds
3474	27	36	0	0	1	10	392.348	0.109991	Thiophenic compounds
3475	29	36	0	0	2	12	448.408	0.004102	Thiophenic compounds
3476	28	36	0	0	1	11	404.348	0.083439	Thiophenic compounds
3477	29	36	0	0	1	12	416.348	0.063645	Thiophenic compounds
3478	30	36	0	0	2	13	460.408	0.001685	Thiophenic compounds
3479	30	36	0	0	1	13	428.348	0.051976	Thiophenic compounds
3480	31	36	0	0	2	14	472.408	0.001581	Thiophenic compounds
3481	31	36	0	0	1	14	440.348	0.03288	Thiophenic compounds
3482	32	36	0	0	2	15	484.408	0.001235	Thiophenic compounds
3483	32	36	0	0	1	15	452.348	0.016999	Thiophenic compounds
3484	33	36	0	0	2	16	496.408	0.000344	Thiophenic compounds
3485	33	36	0	0	1	16	464.348	0.010396	Thiophenic compounds
3486	34	36	0	0	2	17	508.408	4.7e-05	Thiophenic compounds
3487	34	36	0	0	1	17	476.348	0.006977	Thiophenic compounds
3488	35	36	0	0	1	18	488.348	0.004712	Thiophenic compounds
3489	35	36	0	0	2	18	520.408	5.7e-05	Thiophenic compounds
3490	36	36	0	0	2	19	532.408	0.000117	Thiophenic compounds
3491	36	36	0	0	1	19	500.348	0.002725	Thiophenic compounds
3492	37	36	0	0	2	20	544.408	0.000193	Thiophenic compounds
3493	37	36	0	0	1	20	512.348	0.003099	Thiophenic compounds
3494	38	36	0	0	1	21	524.348	0.004065	Thiophenic compounds
3495	39	36	0	0	2	22	568.408	8.4e-05	Thiophenic compounds
3496	39	36	0	0	1	22	536.348	0.002475	Thiophenic compounds
3497	40	36	0	0	1	23	548.348	0.002285	Thiophenic compounds
3498	40	36	0	0	2	23	580.408	4.8e-05	Thiophenic compounds
3499	41	36	0	0	1	24	560.348	0.002178	Thiophenic compounds
3500	41	36	0	0	2	24	592.408	4.2e-05	Thiophenic compounds
3501	42	36	0	0	1	25	572.348	0.000312	Thiophenic compounds
3502	43	36	0	0	1	26	584.348	5.5e-05	Thiophenic compounds
3503	44	36	0	0	1	27	596.348	4.2e-05	Thiophenic compounds
3504	21	38	0	0	1	3	322.364	0.002492	Thiophenic compounds
3505	22	38	0	0	1	4	334.364	0.002404	Thiophenic compounds
3506	23	38	0	0	1	5	346.364	0.00332	Thiophenic compounds
3507	26	38	0	0	2	8	414.424	0.008426	Thiophenic compounds
3508	24	38	0	0	1	6	358.364	0.452453	Thiophenic compounds
3509	27	38	0	0	2	9	426.424	0.001515	Thiophenic compounds
3510	25	38	0	0	1	7	370.364	0.143446	Thiophenic compounds
3511	28	38	0	0	2	10	438.424	0.000407	Thiophenic compounds
3512	26	38	0	0	1	8	382.364	0.081162	Thiophenic compounds
3513	27	38	0	0	1	9	394.364	0.188131	Thiophenic compounds
3514	29	38	0	0	2	11	450.424	0.005613	Thiophenic compounds
3515	28	38	0	0	1	10	406.364	0.095664	Thiophenic compounds
3516	30	38	0	0	2	12	462.424	0.003382	Thiophenic compounds
3517	29	38	0	0	1	11	418.364	0.067088	Thiophenic compounds
3518	30	38	0	0	1	12	430.364	0.04946	Thiophenic compounds
3519	31	38	0	0	2	13	474.424	0.0016	Thiophenic compounds
3520	31	38	0	0	1	13	442.364	0.040393	Thiophenic compounds
3521	32	38	0	0	2	14	486.424	0.000899	Thiophenic compounds
3522	32	38	0	0	1	14	454.364	0.024568	Thiophenic compounds
3523	33	38	0	0	2	15	498.424	0.00067	Thiophenic compounds
3524	33	38	0	0	1	15	466.364	0.013861	Thiophenic compounds
3525	34	38	0	0	1	16	478.364	0.009252	Thiophenic compounds
3526	34	38	0	0	2	16	510.424	0.000241	Thiophenic compounds
3527	35	38	0	0	1	17	490.364	0.005779	Thiophenic compounds
3528	35	38	0	0	2	17	522.424	0.000108	Thiophenic compounds
3529	36	38	0	0	1	18	502.364	0.004124	Thiophenic compounds
3530	36	38	0	0	2	18	534.424	0.000131	Thiophenic compounds
3531	37	38	0	0	2	19	546.424	0.000143	Thiophenic compounds
3532	37	38	0	0	1	19	514.364	0.003089	Thiophenic compounds
3533	38	38	0	0	2	20	558.424	0.000131	Thiophenic compounds
3534	38	38	0	0	1	20	526.364	0.004413	Thiophenic compounds
3535	39	38	0	0	1	21	538.364	0.005978	Thiophenic compounds
3536	40	38	0	0	2	22	582.424	7.9e-05	Thiophenic compounds
3537	40	38	0	0	1	22	550.364	0.004546	Thiophenic compounds
3538	41	38	0	0	1	23	562.364	0.003982	Thiophenic compounds
3539	41	38	0	0	2	23	594.424	0.000181	Thiophenic compounds
3540	42	38	0	0	1	24	574.364	0.003304	Thiophenic compounds
3541	43	38	0	0	1	25	586.364	0.000982	Thiophenic compounds
3542	44	38	0	0	1	26	598.364	0.000589	Thiophenic compounds
3543	45	38	0	0	1	27	610.364	4.7e-05	Thiophenic compounds
3544	22	40	0	0	1	3	336.38	0.004233	Thiophenic compounds
3545	23	40	0	0	1	4	348.38	0.003521	Thiophenic compounds
3546	24	40	0	0	1	5	360.38	0.003695	Thiophenic compounds
3547	27	40	0	0	2	8	428.44	0.006484	Thiophenic compounds
3548	25	40	0	0	1	6	372.38	0.41119	Thiophenic compounds
3549	28	40	0	0	2	9	440.44	0.000871	Thiophenic compounds
3550	26	40	0	0	1	7	384.38	0.129088	Thiophenic compounds
3551	29	40	0	0	2	10	452.44	0.000395	Thiophenic compounds
3552	27	40	0	0	1	8	396.38	0.070967	Thiophenic compounds
3553	28	40	0	0	1	9	408.38	0.156502	Thiophenic compounds
3554	30	40	0	0	2	11	464.44	0.00418	Thiophenic compounds
3555	29	40	0	0	1	10	420.38	0.078379	Thiophenic compounds
3556	31	40	0	0	2	12	476.44	0.002577	Thiophenic compounds
3557	30	40	0	0	1	11	432.38	0.053269	Thiophenic compounds
3558	31	40	0	0	1	12	444.38	0.037646	Thiophenic compounds
3559	32	40	0	0	2	13	488.44	0.001112	Thiophenic compounds
3560	32	40	0	0	1	13	456.38	0.030789	Thiophenic compounds
3561	33	40	0	0	2	14	500.44	0.000686	Thiophenic compounds
3562	33	40	0	0	1	14	468.38	0.019012	Thiophenic compounds
3563	34	40	0	0	2	15	512.44	0.000453	Thiophenic compounds
3564	34	40	0	0	1	15	480.38	0.010531	Thiophenic compounds
3565	35	40	0	0	1	16	492.38	0.007381	Thiophenic compounds
3566	35	40	0	0	2	16	524.44	0.000166	Thiophenic compounds
3567	36	40	0	0	1	17	504.38	0.005037	Thiophenic compounds
3568	36	40	0	0	2	17	536.44	8.2e-05	Thiophenic compounds
3569	37	40	0	0	1	18	516.38	0.004029	Thiophenic compounds
3570	37	40	0	0	2	18	548.44	4.9e-05	Thiophenic compounds
3571	38	40	0	0	2	19	560.44	4.4e-05	Thiophenic compounds
3572	38	40	0	0	1	19	528.38	0.003854	Thiophenic compounds
3573	39	40	0	0	2	20	572.44	0.000291	Thiophenic compounds
3574	39	40	0	0	1	20	540.38	0.006384	Thiophenic compounds
3575	40	40	0	0	1	21	552.38	0.007721	Thiophenic compounds
3576	41	40	0	0	2	22	596.44	6.3e-05	Thiophenic compounds
3577	41	40	0	0	1	22	564.38	0.006132	Thiophenic compounds
3578	42	40	0	0	1	23	576.38	0.00521	Thiophenic compounds
3579	42	40	0	0	2	23	608.44	0.00032	Thiophenic compounds
3580	43	40	0	0	1	24	588.38	0.004015	Thiophenic compounds
3581	43	40	0	0	2	24	620.44	6.4e-05	Thiophenic compounds
3582	44	40	0	0	1	25	600.38	0.001719	Thiophenic compounds
3583	45	40	0	0	1	26	612.38	0.000499	Thiophenic compounds
3584	46	40	0	0	1	27	624.38	0.000157	Thiophenic compounds
3585	23	42	0	0	1	3	350.396	0.006384	Thiophenic compounds
3586	24	42	0	0	1	4	362.396	0.004035	Thiophenic compounds
3587	25	42	0	0	1	5	374.396	0.004086	Thiophenic compounds
3588	28	42	0	0	2	8	442.456	0.005252	Thiophenic compounds
3589	26	42	0	0	1	6	386.396	0.36148	Thiophenic compounds
3590	29	42	0	0	2	9	454.456	0.001044	Thiophenic compounds
3591	27	42	0	0	1	7	398.396	0.115594	Thiophenic compounds
3592	30	42	0	0	2	10	466.456	0.000258	Thiophenic compounds
3593	28	42	0	0	1	8	410.396	0.062633	Thiophenic compounds
3594	29	42	0	0	1	9	422.396	0.127574	Thiophenic compounds
3595	31	42	0	0	2	11	478.456	0.003201	Thiophenic compounds
3596	30	42	0	0	1	10	434.396	0.066437	Thiophenic compounds
3597	32	42	0	0	2	12	490.456	0.002122	Thiophenic compounds
3598	31	42	0	0	1	11	446.396	0.043724	Thiophenic compounds
3599	32	42	0	0	1	12	458.396	0.028839	Thiophenic compounds
3600	33	42	0	0	2	13	502.456	0.000729	Thiophenic compounds
3601	33	42	0	0	1	13	470.396	0.023539	Thiophenic compounds
3602	34	42	0	0	2	14	514.456	0.000471	Thiophenic compounds
3603	34	42	0	0	1	14	482.396	0.014752	Thiophenic compounds
3604	35	42	0	0	2	15	526.456	0.000379	Thiophenic compounds
3605	35	42	0	0	1	15	494.396	0.008249	Thiophenic compounds
3606	36	42	0	0	1	16	506.396	0.005777	Thiophenic compounds
3607	36	42	0	0	2	16	538.456	0.000117	Thiophenic compounds
3608	37	42	0	0	1	17	518.396	0.00414	Thiophenic compounds
3609	37	42	0	0	2	17	550.456	8.5e-05	Thiophenic compounds
3610	38	42	0	0	1	18	530.396	0.004136	Thiophenic compounds
3611	39	42	0	0	2	19	574.456	4.4e-05	Thiophenic compounds
3612	39	42	0	0	1	19	542.396	0.004616	Thiophenic compounds
3613	40	42	0	0	2	20	586.456	0.000533	Thiophenic compounds
3614	40	42	0	0	1	20	554.396	0.007534	Thiophenic compounds
3615	41	42	0	0	2	21	598.456	0.000255	Thiophenic compounds
3616	41	42	0	0	1	21	566.396	0.008098	Thiophenic compounds
3617	42	42	0	0	2	22	610.456	0.000132	Thiophenic compounds
3618	42	42	0	0	1	22	578.396	0.006965	Thiophenic compounds
3619	43	42	0	0	1	23	590.396	0.006235	Thiophenic compounds
3620	43	42	0	0	2	23	622.456	0.000311	Thiophenic compounds
3621	44	42	0	0	1	24	602.396	0.004508	Thiophenic compounds
3622	44	42	0	0	2	24	634.456	0.000122	Thiophenic compounds
3623	45	42	0	0	1	25	614.396	0.002109	Thiophenic compounds
3624	46	42	0	0	1	26	626.396	0.001069	Thiophenic compounds
3625	47	42	0	0	1	27	638.396	0.000179	Thiophenic compounds
3626	24	44	0	0	1	3	364.412	0.0078	Thiophenic compounds
3627	25	44	0	0	1	4	376.412	0.004435	Thiophenic compounds
3628	26	44	0	0	1	5	388.412	0.003785	Thiophenic compounds
3629	29	44	0	0	2	8	456.472	0.004237	Thiophenic compounds
3630	27	44	0	0	1	6	400.412	0.306037	Thiophenic compounds
3631	30	44	0	0	2	9	468.472	0.001047	Thiophenic compounds
3632	28	44	0	0	1	7	412.412	0.098414	Thiophenic compounds
3633	31	44	0	0	2	10	480.472	0.000159	Thiophenic compounds
3634	29	44	0	0	1	8	424.412	0.054214	Thiophenic compounds
3635	30	44	0	0	1	9	436.412	0.102494	Thiophenic compounds
3636	32	44	0	0	2	11	492.472	0.002469	Thiophenic compounds
3637	31	44	0	0	1	10	448.412	0.054706	Thiophenic compounds
3638	33	44	0	0	2	12	504.472	0.001513	Thiophenic compounds
3639	32	44	0	0	1	11	460.412	0.034268	Thiophenic compounds
3640	33	44	0	0	1	12	472.412	0.022528	Thiophenic compounds
3641	34	44	0	0	2	13	516.472	0.000511	Thiophenic compounds
3642	34	44	0	0	1	13	484.412	0.017528	Thiophenic compounds
3643	35	44	0	0	2	14	528.472	0.000255	Thiophenic compounds
3644	35	44	0	0	1	14	496.412	0.011044	Thiophenic compounds
3645	36	44	0	0	2	15	540.472	0.000115	Thiophenic compounds
3646	36	44	0	0	1	15	508.412	0.006604	Thiophenic compounds
3647	37	44	0	0	1	16	520.412	0.004984	Thiophenic compounds
3648	38	44	0	0	1	17	532.412	0.004025	Thiophenic compounds
3649	38	44	0	0	2	17	564.472	0.000156	Thiophenic compounds
3650	39	44	0	0	1	18	544.412	0.00481	Thiophenic compounds
3651	39	44	0	0	2	18	576.472	0.000133	Thiophenic compounds
3652	40	44	0	0	2	19	588.472	8.1e-05	Thiophenic compounds
3653	40	44	0	0	1	19	556.412	0.005178	Thiophenic compounds
3654	41	44	0	0	2	20	600.472	0.000441	Thiophenic compounds
3655	41	44	0	0	1	20	568.412	0.00718	Thiophenic compounds
3656	42	44	0	0	2	21	612.472	6e-05	Thiophenic compounds
3657	42	44	0	0	1	21	580.412	0.007995	Thiophenic compounds
3658	43	44	0	0	2	22	624.472	9.6e-05	Thiophenic compounds
3659	43	44	0	0	1	22	592.412	0.007747	Thiophenic compounds
3660	44	44	0	0	1	23	604.412	0.006504	Thiophenic compounds
3661	44	44	0	0	2	23	636.472	7.7e-05	Thiophenic compounds
3662	45	44	0	0	1	24	616.412	0.004863	Thiophenic compounds
3663	46	44	0	0	1	25	628.412	0.002136	Thiophenic compounds
3664	47	44	0	0	1	26	640.412	0.001018	Thiophenic compounds
3665	48	44	0	0	1	27	652.412	0.000333	Thiophenic compounds
3666	25	46	0	0	1	3	378.428	0.008479	Thiophenic compounds
3667	26	46	0	0	1	4	390.428	0.004274	Thiophenic compounds
3668	27	46	0	0	1	5	402.428	0.003592	Thiophenic compounds
3669	30	46	0	0	2	8	470.488	0.003144	Thiophenic compounds
3670	28	46	0	0	1	6	414.428	0.25134	Thiophenic compounds
3671	31	46	0	0	2	9	482.488	0.000882	Thiophenic compounds
3672	29	46	0	0	1	7	426.428	0.086564	Thiophenic compounds
3673	32	46	0	0	2	10	494.488	0.000208	Thiophenic compounds
3674	30	46	0	0	1	8	438.428	0.046185	Thiophenic compounds
3675	31	46	0	0	1	9	450.428	0.081457	Thiophenic compounds
3676	33	46	0	0	2	11	506.488	0.001905	Thiophenic compounds
3677	32	46	0	0	1	10	462.428	0.043709	Thiophenic compounds
3678	34	46	0	0	2	12	518.488	0.001217	Thiophenic compounds
3679	33	46	0	0	1	11	474.428	0.026854	Thiophenic compounds
3680	34	46	0	0	1	12	486.428	0.016694	Thiophenic compounds
3681	35	46	0	0	2	13	530.488	0.000136	Thiophenic compounds
3682	35	46	0	0	1	13	498.428	0.013903	Thiophenic compounds
3683	36	46	0	0	2	14	542.488	0.000182	Thiophenic compounds
3684	36	46	0	0	1	14	510.428	0.008503	Thiophenic compounds
3685	37	46	0	0	2	15	554.488	4.6e-05	Thiophenic compounds
3686	37	46	0	0	1	15	522.428	0.00491	Thiophenic compounds
3687	38	46	0	0	1	16	534.428	0.0045	Thiophenic compounds
3688	38	46	0	0	2	16	566.488	6.4e-05	Thiophenic compounds
3689	39	46	0	0	1	17	546.428	0.003843	Thiophenic compounds
3690	39	46	0	0	2	17	578.488	6.7e-05	Thiophenic compounds
3691	40	46	0	0	1	18	558.428	0.005229	Thiophenic compounds
3692	40	46	0	0	2	18	590.488	4.6e-05	Thiophenic compounds
3693	41	46	0	0	1	19	570.428	0.00556	Thiophenic compounds
3694	41	46	0	0	2	19	602.488	0.000204	Thiophenic compounds
3695	42	46	0	0	2	20	614.488	0.000142	Thiophenic compounds
3696	42	46	0	0	1	20	582.428	0.006669	Thiophenic compounds
3697	43	46	0	0	2	21	626.488	0.000243	Thiophenic compounds
3698	43	46	0	0	1	21	594.428	0.007829	Thiophenic compounds
3699	44	46	0	0	1	22	606.428	0.007477	Thiophenic compounds
3700	44	46	0	0	2	22	638.488	6e-05	Thiophenic compounds
3701	45	46	0	0	1	23	618.428	0.00698	Thiophenic compounds
3702	45	46	0	0	2	23	650.488	0.000244	Thiophenic compounds
3703	46	46	0	0	1	24	630.428	0.005212	Thiophenic compounds
3704	46	46	0	0	2	24	662.488	0.0002	Thiophenic compounds
3705	47	46	0	0	1	25	642.428	0.002727	Thiophenic compounds
3706	48	46	0	0	1	26	654.428	0.001437	Thiophenic compounds
3707	49	46	0	0	1	27	666.428	0.000458	Thiophenic compounds
3708	26	48	0	0	1	3	392.444	0.008494	Thiophenic compounds
3709	27	48	0	0	1	4	404.444	0.004267	Thiophenic compounds
3710	28	48	0	0	1	5	416.444	0.003437	Thiophenic compounds
3711	31	48	0	0	2	8	484.504	0.002447	Thiophenic compounds
3712	29	48	0	0	1	6	428.444	0.208622	Thiophenic compounds
3713	32	48	0	0	2	9	496.504	0.00072	Thiophenic compounds
3714	30	48	0	0	1	7	440.444	0.073117	Thiophenic compounds
3715	33	48	0	0	2	10	508.504	8.5e-05	Thiophenic compounds
3716	31	48	0	0	1	8	452.444	0.039073	Thiophenic compounds
3717	32	48	0	0	1	9	464.444	0.062806	Thiophenic compounds
3718	34	48	0	0	2	11	520.504	0.001382	Thiophenic compounds
3719	33	48	0	0	1	10	476.444	0.034998	Thiophenic compounds
3720	35	48	0	0	2	12	532.504	0.000887	Thiophenic compounds
3721	34	48	0	0	1	11	488.444	0.021491	Thiophenic compounds
3722	35	48	0	0	1	12	500.444	0.01337	Thiophenic compounds
3723	36	48	0	0	2	13	544.504	0.00042	Thiophenic compounds
3724	36	48	0	0	1	13	512.444	0.010418	Thiophenic compounds
3725	37	48	0	0	2	14	556.504	0.00018	Thiophenic compounds
3726	37	48	0	0	1	14	524.444	0.006407	Thiophenic compounds
3727	38	48	0	0	2	15	568.504	4.5e-05	Thiophenic compounds
3728	38	48	0	0	1	15	536.444	0.004763	Thiophenic compounds
3729	39	48	0	0	1	16	548.444	0.004011	Thiophenic compounds
3730	40	48	0	0	1	17	560.444	0.004343	Thiophenic compounds
3731	40	48	0	0	2	17	592.504	0.000121	Thiophenic compounds
3732	41	48	0	0	1	18	572.444	0.00618	Thiophenic compounds
3733	41	48	0	0	2	18	604.504	7e-05	Thiophenic compounds
3734	42	48	0	0	1	19	584.444	0.005268	Thiophenic compounds
3735	43	48	0	0	2	20	628.504	0.000212	Thiophenic compounds
3736	43	48	0	0	1	20	596.444	0.006935	Thiophenic compounds
3737	44	48	0	0	1	21	608.444	0.007193	Thiophenic compounds
3738	45	48	0	0	1	22	620.444	0.006117	Thiophenic compounds
3739	45	48	0	0	2	22	652.504	0.000124	Thiophenic compounds
3740	46	48	0	0	1	23	632.444	0.005805	Thiophenic compounds
3741	46	48	0	0	2	23	664.504	9.2e-05	Thiophenic compounds
3742	47	48	0	0	1	24	644.444	0.004585	Thiophenic compounds
3743	47	48	0	0	2	24	676.504	5.4e-05	Thiophenic compounds
3744	48	48	0	0	1	25	656.444	0.002501	Thiophenic compounds
3745	49	48	0	0	1	26	668.444	0.001025	Thiophenic compounds
3746	50	48	0	0	1	27	680.444	0.00021	Thiophenic compounds
3747	51	48	0	0	1	28	692.444	0.000174	Thiophenic compounds
3748	27	50	0	0	1	3	406.46	0.007263	Thiophenic compounds
3749	28	50	0	0	1	4	418.46	0.004179	Thiophenic compounds
3750	29	50	0	0	1	5	430.46	0.003033	Thiophenic compounds
3751	32	50	0	0	2	8	498.52	0.001955	Thiophenic compounds
3752	30	50	0	0	1	6	442.46	0.1696	Thiophenic compounds
3753	33	50	0	0	2	9	510.52	0.000366	Thiophenic compounds
3754	31	50	0	0	1	7	454.46	0.060216	Thiophenic compounds
3755	32	50	0	0	1	8	466.46	0.031404	Thiophenic compounds
3756	34	50	0	0	2	10	522.52	0.000105	Thiophenic compounds
3757	33	50	0	0	1	9	478.46	0.049926	Thiophenic compounds
3758	35	50	0	0	2	11	534.52	0.000658	Thiophenic compounds
3759	34	50	0	0	1	10	490.46	0.02768	Thiophenic compounds
3760	36	50	0	0	2	12	546.52	0.000574	Thiophenic compounds
3761	35	50	0	0	1	11	502.46	0.016578	Thiophenic compounds
3762	36	50	0	0	1	12	514.46	0.010996	Thiophenic compounds
3763	37	50	0	0	2	13	558.52	0.000115	Thiophenic compounds
3764	37	50	0	0	1	13	526.46	0.007866	Thiophenic compounds
3765	38	50	0	0	2	14	570.52	0.000313	Thiophenic compounds
3766	38	50	0	0	1	14	538.46	0.005625	Thiophenic compounds
3767	39	50	0	0	1	15	550.46	0.003973	Thiophenic compounds
3768	40	50	0	0	1	16	562.46	0.003759	Thiophenic compounds
3769	41	50	0	0	1	17	574.46	0.00395	Thiophenic compounds
3770	41	50	0	0	2	17	606.52	0.000175	Thiophenic compounds
3771	42	50	0	0	1	18	586.46	0.006064	Thiophenic compounds
3772	42	50	0	0	2	18	618.52	4.9e-05	Thiophenic compounds
3773	43	50	0	0	2	19	630.52	0.000117	Thiophenic compounds
3774	43	50	0	0	1	19	598.46	0.005752	Thiophenic compounds
3775	44	50	0	0	2	20	642.52	0.000194	Thiophenic compounds
3776	44	50	0	0	1	20	610.46	0.006006	Thiophenic compounds
3777	45	50	0	0	2	21	654.52	0.000124	Thiophenic compounds
3778	45	50	0	0	1	21	622.46	0.005696	Thiophenic compounds
3779	46	50	0	0	1	22	634.46	0.006194	Thiophenic compounds
3780	46	50	0	0	2	22	666.52	5.6e-05	Thiophenic compounds
3781	47	50	0	0	1	23	646.46	0.004824	Thiophenic compounds
3782	47	50	0	0	2	23	678.52	0.000161	Thiophenic compounds
3783	48	50	0	0	1	24	658.46	0.004305	Thiophenic compounds
3784	48	50	0	0	2	24	690.52	7.2e-05	Thiophenic compounds
3785	49	50	0	0	1	25	670.46	0.00224	Thiophenic compounds
3786	50	50	0	0	1	26	682.46	0.001241	Thiophenic compounds
3787	51	50	0	0	1	27	694.46	0.000478	Thiophenic compounds
3788	52	50	0	0	1	28	706.46	0.000116	Thiophenic compounds
3789	28	52	0	0	1	3	420.476	0.0059	Thiophenic compounds
3790	29	52	0	0	1	4	432.476	0.003684	Thiophenic compounds
3791	30	52	0	0	1	5	444.476	0.002238	Thiophenic compounds
3792	33	52	0	0	2	8	512.536	0.001386	Thiophenic compounds
3793	31	52	0	0	1	6	456.476	0.132335	Thiophenic compounds
3794	34	52	0	0	2	9	524.536	0.000175	Thiophenic compounds
3795	32	52	0	0	1	7	468.476	0.048157	Thiophenic compounds
3796	33	52	0	0	1	8	480.476	0.026033	Thiophenic compounds
3797	35	52	0	0	2	10	536.536	0.000134	Thiophenic compounds
3798	34	52	0	0	1	9	492.476	0.037911	Thiophenic compounds
3799	36	52	0	0	2	11	548.536	0.000462	Thiophenic compounds
3800	35	52	0	0	1	10	504.476	0.02243	Thiophenic compounds
3801	37	52	0	0	2	12	560.536	0.00034	Thiophenic compounds
3802	36	52	0	0	1	11	516.476	0.012618	Thiophenic compounds
3803	37	52	0	0	1	12	528.476	0.008626	Thiophenic compounds
3804	38	52	0	0	2	13	572.536	0.000402	Thiophenic compounds
3805	38	52	0	0	1	13	540.476	0.006451	Thiophenic compounds
3806	39	52	0	0	2	14	584.536	0.000208	Thiophenic compounds
3807	39	52	0	0	1	14	552.476	0.004332	Thiophenic compounds
3808	40	52	0	0	1	15	564.476	0.004148	Thiophenic compounds
3809	41	52	0	0	1	16	576.476	0.004008	Thiophenic compounds
3810	41	52	0	0	2	16	608.536	6.4e-05	Thiophenic compounds
3811	42	52	0	0	1	17	588.476	0.004205	Thiophenic compounds
3812	43	52	0	0	1	18	600.476	0.0065	Thiophenic compounds
3813	44	52	0	0	2	19	644.536	0.000187	Thiophenic compounds
3814	44	52	0	0	1	19	612.476	0.005797	Thiophenic compounds
3815	45	52	0	0	2	20	656.536	0.000156	Thiophenic compounds
3816	45	52	0	0	1	20	624.476	0.005074	Thiophenic compounds
3817	46	52	0	0	1	21	636.476	0.005415	Thiophenic compounds
3818	47	52	0	0	1	22	648.476	0.004542	Thiophenic compounds
3819	48	52	0	0	1	23	660.476	0.0041	Thiophenic compounds
3820	49	52	0	0	1	24	672.476	0.002888	Thiophenic compounds
3821	48	52	0	0	2	23	692.536	6.3e-05	Thiophenic compounds
3822	50	52	0	0	1	25	684.476	0.00149	Thiophenic compounds
3823	51	52	0	0	1	26	696.476	0.000464	Thiophenic compounds
3824	52	52	0	0	1	27	708.476	0.000139	Thiophenic compounds
3825	53	52	0	0	1	28	720.476	5.8e-05	Thiophenic compounds
3826	29	54	0	0	1	3	434.492	0.004435	Thiophenic compounds
3827	30	54	0	0	1	4	446.492	0.003412	Thiophenic compounds
3828	31	54	0	0	1	5	458.492	0.002044	Thiophenic compounds
3829	34	54	0	0	2	8	526.552	0.000924	Thiophenic compounds
3830	32	54	0	0	1	6	470.492	0.104481	Thiophenic compounds
3831	35	54	0	0	2	9	538.552	0.000252	Thiophenic compounds
3832	33	54	0	0	1	7	482.492	0.039816	Thiophenic compounds
3833	34	54	0	0	1	8	494.492	0.020178	Thiophenic compounds
3834	35	54	0	0	1	9	506.492	0.028917	Thiophenic compounds
3835	37	54	0	0	2	11	562.552	0.000166	Thiophenic compounds
3836	36	54	0	0	1	10	518.492	0.017035	Thiophenic compounds
3837	38	54	0	0	2	12	574.552	0.000615	Thiophenic compounds
3838	37	54	0	0	1	11	530.492	0.010371	Thiophenic compounds
3839	38	54	0	0	1	12	542.492	0.007299	Thiophenic compounds
3840	39	54	0	0	2	13	586.552	0.000113	Thiophenic compounds
3841	39	54	0	0	1	13	554.492	0.006124	Thiophenic compounds
3842	40	54	0	0	2	14	598.552	6.4e-05	Thiophenic compounds
3843	40	54	0	0	1	14	566.492	0.003885	Thiophenic compounds
3844	41	54	0	0	2	15	610.552	0.000156	Thiophenic compounds
3845	41	54	0	0	1	15	578.492	0.003554	Thiophenic compounds
3846	42	54	0	0	1	16	590.492	0.004182	Thiophenic compounds
3847	42	54	0	0	2	16	622.552	0.00021	Thiophenic compounds
3848	43	54	0	0	1	17	602.492	0.004168	Thiophenic compounds
3849	43	54	0	0	2	17	634.552	0.000227	Thiophenic compounds
3850	44	54	0	0	1	18	614.492	0.00604	Thiophenic compounds
3851	44	54	0	0	2	18	646.552	4.4e-05	Thiophenic compounds
3852	45	54	0	0	1	19	626.492	0.005835	Thiophenic compounds
3853	45	54	0	0	2	19	658.552	6.7e-05	Thiophenic compounds
3854	46	54	0	0	1	20	638.492	0.004515	Thiophenic compounds
3855	47	54	0	0	1	21	650.492	0.004167	Thiophenic compounds
3856	48	54	0	0	1	22	662.492	0.004028	Thiophenic compounds
3857	49	54	0	0	1	23	674.492	0.002516	Thiophenic compounds
3858	50	54	0	0	1	24	686.492	0.002252	Thiophenic compounds
3859	51	54	0	0	1	25	698.492	0.000805	Thiophenic compounds
3860	52	54	0	0	1	26	710.492	0.000549	Thiophenic compounds
3861	53	54	0	0	1	27	722.492	0.000213	Thiophenic compounds
3862	30	56	0	0	1	3	448.508	0.003995	Thiophenic compounds
3863	31	56	0	0	1	4	460.508	0.002986	Thiophenic compounds
3864	32	56	0	0	1	5	472.508	0.001795	Thiophenic compounds
3865	35	56	0	0	2	8	540.568	0.000648	Thiophenic compounds
3866	33	56	0	0	1	6	484.508	0.079969	Thiophenic compounds
3867	36	56	0	0	2	9	552.568	0.000178	Thiophenic compounds
3868	34	56	0	0	1	7	496.508	0.031446	Thiophenic compounds
3869	35	56	0	0	1	8	508.508	0.016233	Thiophenic compounds
3870	37	56	0	0	2	10	564.568	9.5e-05	Thiophenic compounds
3871	36	56	0	0	1	9	520.508	0.021509	Thiophenic compounds
3872	38	56	0	0	2	11	576.568	0.000224	Thiophenic compounds
3873	37	56	0	0	1	10	532.508	0.01344	Thiophenic compounds
3874	39	56	0	0	2	12	588.568	0.000314	Thiophenic compounds
3875	38	56	0	0	1	11	544.508	0.008651	Thiophenic compounds
3876	39	56	0	0	1	12	556.508	0.006322	Thiophenic compounds
3877	40	56	0	0	2	13	600.568	0.000275	Thiophenic compounds
3878	40	56	0	0	1	13	568.508	0.005344	Thiophenic compounds
3879	41	56	0	0	2	14	612.568	0.000185	Thiophenic compounds
3880	41	56	0	0	1	14	580.508	0.003208	Thiophenic compounds
3881	42	56	0	0	1	15	592.508	0.00346	Thiophenic compounds
3882	43	56	0	0	1	16	604.508	0.003956	Thiophenic compounds
3883	43	56	0	0	2	16	636.568	0.000172	Thiophenic compounds
3884	44	56	0	0	1	17	616.508	0.004443	Thiophenic compounds
3885	44	56	0	0	2	17	648.568	0.000164	Thiophenic compounds
3886	45	56	0	0	1	18	628.508	0.006225	Thiophenic compounds
3887	45	56	0	0	2	18	660.568	0.000102	Thiophenic compounds
3888	46	56	0	0	1	19	640.508	0.00434	Thiophenic compounds
3889	46	56	0	0	2	19	672.568	5.7e-05	Thiophenic compounds
3890	47	56	0	0	1	20	652.508	0.004264	Thiophenic compounds
3891	48	56	0	0	1	21	664.508	0.003676	Thiophenic compounds
3892	49	56	0	0	1	22	676.508	0.002695	Thiophenic compounds
3893	50	56	0	0	1	23	688.508	0.002106	Thiophenic compounds
3894	51	56	0	0	1	24	700.508	0.001317	Thiophenic compounds
3895	52	56	0	0	1	25	712.508	0.000755	Thiophenic compounds
3896	53	56	0	0	1	26	724.508	0.000566	Thiophenic compounds
3897	54	56	0	0	1	27	736.508	0.000197	Thiophenic compounds
3898	31	58	0	0	1	3	462.524	0.003277	Thiophenic compounds
3899	32	58	0	0	1	4	474.524	0.002575	Thiophenic compounds
3900	33	58	0	0	1	5	486.524	0.001268	Thiophenic compounds
3901	36	58	0	0	2	8	554.584	0.000236	Thiophenic compounds
3902	34	58	0	0	1	6	498.524	0.063453	Thiophenic compounds
3903	37	58	0	0	2	9	566.584	0.000112	Thiophenic compounds
3904	35	58	0	0	1	7	510.524	0.024615	Thiophenic compounds
3905	36	58	0	0	1	8	522.524	0.013486	Thiophenic compounds
3906	38	58	0	0	2	10	578.584	4e-05	Thiophenic compounds
3907	37	58	0	0	1	9	534.524	0.016424	Thiophenic compounds
3908	39	58	0	0	2	11	590.584	0.000266	Thiophenic compounds
3909	38	58	0	0	1	10	546.524	0.011432	Thiophenic compounds
3910	40	58	0	0	2	12	602.584	0.000348	Thiophenic compounds
3911	39	58	0	0	1	11	558.524	0.008229	Thiophenic compounds
3912	40	58	0	0	1	12	570.524	0.005371	Thiophenic compounds
3913	41	58	0	0	1	13	582.524	0.004052	Thiophenic compounds
3914	42	58	0	0	2	14	626.584	0.000191	Thiophenic compounds
3915	42	58	0	0	1	14	594.524	0.00346	Thiophenic compounds
3916	43	58	0	0	2	15	638.584	0.000109	Thiophenic compounds
3917	43	58	0	0	1	15	606.524	0.003418	Thiophenic compounds
3918	44	58	0	0	1	16	618.524	0.0038	Thiophenic compounds
3919	44	58	0	0	2	16	650.584	0.000168	Thiophenic compounds
3920	45	58	0	0	1	17	630.524	0.003471	Thiophenic compounds
3921	45	58	0	0	2	17	662.584	0.000209	Thiophenic compounds
3922	46	58	0	0	1	18	642.524	0.005768	Thiophenic compounds
3923	47	58	0	0	1	19	654.524	0.004743	Thiophenic compounds
3924	48	58	0	0	2	20	698.584	6e-05	Thiophenic compounds
3925	48	58	0	0	1	20	666.524	0.002982	Thiophenic compounds
3926	49	58	0	0	1	21	678.524	0.002599	Thiophenic compounds
3927	50	58	0	0	1	22	690.524	0.002341	Thiophenic compounds
3928	51	58	0	0	1	23	702.524	0.001624	Thiophenic compounds
3929	52	58	0	0	1	24	714.524	0.001121	Thiophenic compounds
3930	53	58	0	0	1	25	726.524	0.000449	Thiophenic compounds
3931	54	58	0	0	1	26	738.524	0.00011	Thiophenic compounds
3932	55	58	0	0	1	27	750.524	7.1e-05	Thiophenic compounds
3933	32	60	0	0	1	3	476.54	0.00236	Thiophenic compounds
3934	33	60	0	0	1	4	488.54	0.001901	Thiophenic compounds
3935	34	60	0	0	1	5	500.54	0.001184	Thiophenic compounds
3936	37	60	0	0	2	8	568.6	0.000258	Thiophenic compounds
3937	35	60	0	0	1	6	512.54	0.045534	Thiophenic compounds
3938	38	60	0	0	2	9	580.6	9.4e-05	Thiophenic compounds
3939	36	60	0	0	1	7	524.54	0.019522	Thiophenic compounds
3940	37	60	0	0	1	8	536.54	0.010522	Thiophenic compounds
3941	38	60	0	0	1	9	548.54	0.013685	Thiophenic compounds
3942	40	60	0	0	2	11	604.6	4.5e-05	Thiophenic compounds
3943	39	60	0	0	1	10	560.54	0.009324	Thiophenic compounds
3944	41	60	0	0	2	12	616.6	0.00015	Thiophenic compounds
3945	40	60	0	0	1	11	572.54	0.006459	Thiophenic compounds
3946	41	60	0	0	1	12	584.54	0.004903	Thiophenic compounds
3947	42	60	0	0	2	13	628.6	0.000303	Thiophenic compounds
3948	42	60	0	0	1	13	596.54	0.003807	Thiophenic compounds
3949	43	60	0	0	2	14	640.6	9.3e-05	Thiophenic compounds
3950	43	60	0	0	1	14	608.54	0.003083	Thiophenic compounds
3951	44	60	0	0	2	15	652.6	0.00021	Thiophenic compounds
3952	44	60	0	0	1	15	620.54	0.003247	Thiophenic compounds
3953	45	60	0	0	1	16	632.54	0.003717	Thiophenic compounds
3954	45	60	0	0	2	16	664.6	0.000108	Thiophenic compounds
3955	46	60	0	0	1	17	644.54	0.003605	Thiophenic compounds
3956	46	60	0	0	2	17	676.6	0.000111	Thiophenic compounds
3957	47	60	0	0	1	18	656.54	0.004949	Thiophenic compounds
3958	47	60	0	0	2	18	688.6	0.000355	Thiophenic compounds
3959	48	60	0	0	1	19	668.54	0.003795	Thiophenic compounds
3960	49	60	0	0	2	20	712.6	0.000116	Thiophenic compounds
3961	49	60	0	0	1	20	680.54	0.002847	Thiophenic compounds
3962	50	60	0	0	1	21	692.54	0.00229	Thiophenic compounds
3963	51	60	0	0	1	22	704.54	0.001535	Thiophenic compounds
3964	52	60	0	0	1	23	716.54	0.001083	Thiophenic compounds
3965	53	60	0	0	1	24	728.54	0.000584	Thiophenic compounds
3966	54	60	0	0	1	25	740.54	0.000169	Thiophenic compounds
3967	55	60	0	0	1	26	752.54	9.3e-05	Thiophenic compounds
3968	33	62	0	0	1	3	490.556	0.001796	Thiophenic compounds
3969	34	62	0	0	1	4	502.556	0.001587	Thiophenic compounds
3970	35	62	0	0	1	5	514.556	0.000672	Thiophenic compounds
3971	36	62	0	0	1	6	526.556	0.034227	Thiophenic compounds
3972	37	62	0	0	1	7	538.556	0.014767	Thiophenic compounds
3973	38	62	0	0	1	8	550.556	0.007813	Thiophenic compounds
3974	39	62	0	0	1	9	562.556	0.010894	Thiophenic compounds
3975	41	62	0	0	2	11	618.616	8.6e-05	Thiophenic compounds
3976	40	62	0	0	1	10	574.556	0.008356	Thiophenic compounds
3977	42	62	0	0	2	12	630.616	0.000269	Thiophenic compounds
3978	41	62	0	0	1	11	586.556	0.005648	Thiophenic compounds
3979	42	62	0	0	1	12	598.556	0.004783	Thiophenic compounds
3980	43	62	0	0	2	13	642.616	7.1e-05	Thiophenic compounds
3981	43	62	0	0	1	13	610.556	0.004046	Thiophenic compounds
3982	44	62	0	0	2	14	654.616	0.000463	Thiophenic compounds
3983	44	62	0	0	1	14	622.556	0.002962	Thiophenic compounds
3984	45	62	0	0	2	15	666.616	0.000324	Thiophenic compounds
3985	45	62	0	0	1	15	634.556	0.002988	Thiophenic compounds
3986	46	62	0	0	1	16	646.556	0.003219	Thiophenic compounds
3987	46	62	0	0	2	16	678.616	0.000136	Thiophenic compounds
3988	47	62	0	0	1	17	658.556	0.003856	Thiophenic compounds
3989	47	62	0	0	2	17	690.616	7.6e-05	Thiophenic compounds
3990	48	62	0	0	1	18	670.556	0.003986	Thiophenic compounds
3991	49	62	0	0	1	19	682.556	0.003239	Thiophenic compounds
3992	50	62	0	0	2	20	726.616	5.5e-05	Thiophenic compounds
3993	50	62	0	0	1	20	694.556	0.002699	Thiophenic compounds
3994	51	62	0	0	1	21	706.556	0.00126	Thiophenic compounds
3995	52	62	0	0	1	22	718.556	0.000773	Thiophenic compounds
3996	53	62	0	0	1	23	730.556	0.000456	Thiophenic compounds
3997	54	62	0	0	1	24	742.556	0.000119	Thiophenic compounds
3998	55	62	0	0	1	25	754.556	0.000267	Thiophenic compounds
3999	34	64	0	0	1	3	504.572	0.001061	Thiophenic compounds
4000	35	64	0	0	1	4	516.572	0.001228	Thiophenic compounds
4001	36	64	0	0	1	5	528.572	0.000308	Thiophenic compounds
4002	37	64	0	0	1	6	540.572	0.025656	Thiophenic compounds
4003	38	64	0	0	1	7	552.572	0.011613	Thiophenic compounds
4004	39	64	0	0	1	8	564.572	0.006898	Thiophenic compounds
4005	40	64	0	0	1	9	576.572	0.008735	Thiophenic compounds
4006	42	64	0	0	2	11	632.632	0.000114	Thiophenic compounds
4007	41	64	0	0	1	10	588.572	0.006391	Thiophenic compounds
4008	43	64	0	0	2	12	644.632	0.000185	Thiophenic compounds
4009	42	64	0	0	1	11	600.572	0.005131	Thiophenic compounds
4010	43	64	0	0	1	12	612.572	0.004074	Thiophenic compounds
4011	44	64	0	0	2	13	656.632	0.000195	Thiophenic compounds
4012	44	64	0	0	1	13	624.572	0.003569	Thiophenic compounds
4013	45	64	0	0	2	14	668.632	0.000224	Thiophenic compounds
4014	45	64	0	0	1	14	636.572	0.002883	Thiophenic compounds
4015	46	64	0	0	2	15	680.632	0.0002	Thiophenic compounds
4016	46	64	0	0	1	15	648.572	0.003211	Thiophenic compounds
4017	47	64	0	0	1	16	660.572	0.003406	Thiophenic compounds
4018	47	64	0	0	2	16	692.632	0.000222	Thiophenic compounds
4019	48	64	0	0	1	17	672.572	0.002766	Thiophenic compounds
4020	48	64	0	0	2	17	704.632	0.000243	Thiophenic compounds
4021	49	64	0	0	1	18	684.572	0.003605	Thiophenic compounds
4022	49	64	0	0	2	18	716.632	0.000122	Thiophenic compounds
4023	50	64	0	0	1	19	696.572	0.002319	Thiophenic compounds
4024	51	64	0	0	1	20	708.572	0.001474	Thiophenic compounds
4025	52	64	0	0	1	21	720.572	0.001318	Thiophenic compounds
4026	53	64	0	0	1	22	732.572	0.000718	Thiophenic compounds
4027	54	64	0	0	1	23	744.572	0.00022	Thiophenic compounds
4028	56	64	0	0	1	25	768.572	5.9e-05	Thiophenic compounds
4029	35	66	0	0	1	3	518.588	0.000551	Thiophenic compounds
4030	36	66	0	0	1	4	530.588	0.000751	Thiophenic compounds
4031	37	66	0	0	1	5	542.588	0.000296	Thiophenic compounds
4032	38	66	0	0	1	6	554.588	0.018603	Thiophenic compounds
4033	39	66	0	0	1	7	566.588	0.00891	Thiophenic compounds
4034	40	66	0	0	1	8	578.588	0.005315	Thiophenic compounds
4035	41	66	0	0	1	9	590.588	0.006633	Thiophenic compounds
4036	43	66	0	0	2	11	646.648	8e-05	Thiophenic compounds
4037	42	66	0	0	1	10	602.588	0.005597	Thiophenic compounds
4038	44	66	0	0	2	12	658.648	0.00034	Thiophenic compounds
4039	43	66	0	0	1	11	614.588	0.004294	Thiophenic compounds
4040	44	66	0	0	1	12	626.588	0.00392	Thiophenic compounds
4041	45	66	0	0	2	13	670.648	0.000158	Thiophenic compounds
4042	45	66	0	0	1	13	638.588	0.003231	Thiophenic compounds
4043	46	66	0	0	2	14	682.648	0.000137	Thiophenic compounds
4044	46	66	0	0	1	14	650.588	0.002682	Thiophenic compounds
4045	47	66	0	0	2	15	694.648	0.000307	Thiophenic compounds
4046	47	66	0	0	1	15	662.588	0.003082	Thiophenic compounds
4047	48	66	0	0	1	16	674.588	0.002309	Thiophenic compounds
4048	48	66	0	0	2	16	706.648	0.000452	Thiophenic compounds
4049	49	66	0	0	1	17	686.588	0.002674	Thiophenic compounds
4050	49	66	0	0	2	17	718.648	0.000413	Thiophenic compounds
4051	50	66	0	0	1	18	698.588	0.002937	Thiophenic compounds
4052	50	66	0	0	2	18	730.648	0.000209	Thiophenic compounds
4053	51	66	0	0	1	19	710.588	0.002004	Thiophenic compounds
4054	52	66	0	0	1	20	722.588	0.000808	Thiophenic compounds
4055	53	66	0	0	1	21	734.588	0.000717	Thiophenic compounds
4056	54	66	0	0	1	22	746.588	0.000258	Thiophenic compounds
4057	55	66	0	0	1	23	758.588	0.000216	Thiophenic compounds
4058	56	66	0	0	1	24	770.588	7.4e-05	Thiophenic compounds
4059	36	68	0	0	1	3	532.604	0.000321	Thiophenic compounds
4060	37	68	0	0	1	4	544.604	0.000488	Thiophenic compounds
4061	38	68	0	0	1	5	556.604	0.000113	Thiophenic compounds
4062	39	68	0	0	1	6	568.604	0.013748	Thiophenic compounds
4063	40	68	0	0	1	7	580.604	0.006794	Thiophenic compounds
4064	41	68	0	0	1	8	592.604	0.004078	Thiophenic compounds
4065	42	68	0	0	1	9	604.604	0.005714	Thiophenic compounds
4066	44	68	0	0	2	11	660.664	6.4e-05	Thiophenic compounds
4067	43	68	0	0	1	10	616.604	0.004409	Thiophenic compounds
4068	45	68	0	0	2	12	672.664	0.000506	Thiophenic compounds
4069	44	68	0	0	1	11	628.604	0.004097	Thiophenic compounds
4070	45	68	0	0	1	12	640.604	0.00357	Thiophenic compounds
4071	46	68	0	0	2	13	684.664	0.000262	Thiophenic compounds
4072	46	68	0	0	1	13	652.604	0.002575	Thiophenic compounds
4073	47	68	0	0	2	14	696.664	0.000301	Thiophenic compounds
4074	47	68	0	0	1	14	664.604	0.002559	Thiophenic compounds
4075	48	68	0	0	2	15	708.664	0.000151	Thiophenic compounds
4076	48	68	0	0	1	15	676.604	0.002263	Thiophenic compounds
4077	49	68	0	0	1	16	688.604	0.002574	Thiophenic compounds
4078	49	68	0	0	2	16	720.664	0.0002	Thiophenic compounds
4079	50	68	0	0	1	17	700.604	0.001957	Thiophenic compounds
4080	50	68	0	0	2	17	732.664	0.000118	Thiophenic compounds
4081	51	68	0	0	1	18	712.604	0.00204	Thiophenic compounds
4082	51	68	0	0	2	18	744.664	5.9e-05	Thiophenic compounds
4083	52	68	0	0	1	19	724.604	0.001	Thiophenic compounds
4084	53	68	0	0	1	20	736.604	0.001519	Thiophenic compounds
4085	54	68	0	0	1	21	748.604	0.000278	Thiophenic compounds
4086	55	68	0	0	1	22	760.604	0.000108	Thiophenic compounds
4087	37	70	0	0	1	3	546.62	0.000137	Thiophenic compounds
4088	38	70	0	0	1	4	558.62	0.000272	Thiophenic compounds
4089	39	70	0	0	1	5	570.62	9e-05	Thiophenic compounds
4090	40	70	0	0	1	6	582.62	0.010285	Thiophenic compounds
4091	41	70	0	0	1	7	594.62	0.005962	Thiophenic compounds
4092	42	70	0	0	1	8	606.62	0.003054	Thiophenic compounds
4093	43	70	0	0	1	9	618.62	0.004162	Thiophenic compounds
4094	45	70	0	0	2	11	674.68	0.000111	Thiophenic compounds
4095	44	70	0	0	1	10	630.62	0.004196	Thiophenic compounds
4096	46	70	0	0	2	12	686.68	0.000319	Thiophenic compounds
4097	45	70	0	0	1	11	642.62	0.003804	Thiophenic compounds
4098	46	70	0	0	1	12	654.62	0.003128	Thiophenic compounds
4099	47	70	0	0	1	13	666.62	0.002593	Thiophenic compounds
4100	48	70	0	0	2	14	710.68	0.000395	Thiophenic compounds
4101	48	70	0	0	1	14	678.62	0.002465	Thiophenic compounds
4102	49	70	0	0	2	15	722.68	6.9e-05	Thiophenic compounds
4103	49	70	0	0	1	15	690.62	0.002678	Thiophenic compounds
4104	50	70	0	0	1	16	702.62	0.001775	Thiophenic compounds
4105	50	70	0	0	2	16	734.68	0.000264	Thiophenic compounds
4106	51	70	0	0	1	17	714.62	0.000996	Thiophenic compounds
4107	52	70	0	0	1	18	726.62	0.001555	Thiophenic compounds
4108	52	70	0	0	2	18	758.68	6.3e-05	Thiophenic compounds
4109	53	70	0	0	1	19	738.62	0.000844	Thiophenic compounds
4110	54	70	0	0	1	20	750.62	0.000336	Thiophenic compounds
4111	55	70	0	0	1	21	762.62	0.000466	Thiophenic compounds
4112	38	72	0	0	1	3	560.636	0.000182	Thiophenic compounds
4113	39	72	0	0	1	4	572.636	0.000191	Thiophenic compounds
4114	40	72	0	0	1	5	584.636	5.4e-05	Thiophenic compounds
4115	41	72	0	0	1	6	596.636	0.007728	Thiophenic compounds
4116	42	72	0	0	1	7	608.636	0.004641	Thiophenic compounds
4117	43	72	0	0	1	8	620.636	0.002526	Thiophenic compounds
4118	44	72	0	0	1	9	632.636	0.003902	Thiophenic compounds
4119	46	72	0	0	2	11	688.696	6.3e-05	Thiophenic compounds
4120	45	72	0	0	1	10	644.636	0.003338	Thiophenic compounds
4121	47	72	0	0	2	12	700.696	0.000193	Thiophenic compounds
4122	46	72	0	0	1	11	656.636	0.002978	Thiophenic compounds
4123	47	72	0	0	1	12	668.636	0.002731	Thiophenic compounds
4124	48	72	0	0	2	13	712.696	7e-05	Thiophenic compounds
4125	48	72	0	0	1	13	680.636	0.002422	Thiophenic compounds
4126	49	72	0	0	2	14	724.696	0.000528	Thiophenic compounds
4127	49	72	0	0	1	14	692.636	0.001849	Thiophenic compounds
4128	50	72	0	0	2	15	736.696	0.000188	Thiophenic compounds
4129	50	72	0	0	1	15	704.636	0.001927	Thiophenic compounds
4130	51	72	0	0	1	16	716.636	0.001268	Thiophenic compounds
4131	51	72	0	0	2	16	748.696	0.00022	Thiophenic compounds
4132	52	72	0	0	1	17	728.636	0.000686	Thiophenic compounds
4133	52	72	0	0	2	17	760.696	0.000144	Thiophenic compounds
4134	53	72	0	0	1	18	740.636	0.00078	Thiophenic compounds
4135	54	72	0	0	1	19	752.636	0.000561	Thiophenic compounds
4136	55	72	0	0	1	20	764.636	0.000243	Thiophenic compounds
4137	39	74	0	0	1	3	574.652	5e-05	Thiophenic compounds
4138	40	74	0	0	1	4	586.652	8.6e-05	Thiophenic compounds
4139	42	74	0	0	1	6	610.652	0.005749	Thiophenic compounds
4140	43	74	0	0	1	7	622.652	0.003644	Thiophenic compounds
4141	44	74	0	0	1	8	634.652	0.002199	Thiophenic compounds
4142	45	74	0	0	1	9	646.652	0.003208	Thiophenic compounds
4143	46	74	0	0	1	10	658.652	0.002764	Thiophenic compounds
4144	48	74	0	0	2	12	714.712	0.000464	Thiophenic compounds
4145	47	74	0	0	1	11	670.652	0.002768	Thiophenic compounds
4146	48	74	0	0	1	12	682.652	0.002538	Thiophenic compounds
4147	49	74	0	0	2	13	726.712	0.000131	Thiophenic compounds
4148	49	74	0	0	1	13	694.652	0.001902	Thiophenic compounds
4149	50	74	0	0	2	14	738.712	0.000193	Thiophenic compounds
4150	50	74	0	0	1	14	706.652	0.001344	Thiophenic compounds
4151	51	74	0	0	2	15	750.712	0.00011	Thiophenic compounds
4152	51	74	0	0	1	15	718.652	0.001147	Thiophenic compounds
4153	52	74	0	0	1	16	730.652	0.001351	Thiophenic compounds
4154	53	74	0	0	1	17	742.652	0.000407	Thiophenic compounds
4155	54	74	0	0	1	18	754.652	0.000509	Thiophenic compounds
4156	55	74	0	0	1	19	766.652	0.000391	Thiophenic compounds
4157	40	76	0	0	1	3	588.668	4.9e-05	Thiophenic compounds
4158	41	76	0	0	1	4	600.668	0.000138	Thiophenic compounds
4159	43	76	0	0	1	6	624.668	0.00474	Thiophenic compounds
4160	44	76	0	0	1	7	636.668	0.003104	Thiophenic compounds
4161	45	76	0	0	1	8	648.668	0.001476	Thiophenic compounds
4162	46	76	0	0	1	9	660.668	0.002303	Thiophenic compounds
4163	47	76	0	0	1	10	672.668	0.002054	Thiophenic compounds
4164	48	76	0	0	1	11	684.668	0.002205	Thiophenic compounds
4165	49	76	0	0	2	12	728.728	0.000322	Thiophenic compounds
4166	49	76	0	0	1	12	696.668	0.002425	Thiophenic compounds
4167	50	76	0	0	2	13	740.728	0.000204	Thiophenic compounds
4168	50	76	0	0	1	13	708.668	0.001663	Thiophenic compounds
4169	51	76	0	0	2	14	752.728	0.000142	Thiophenic compounds
4170	51	76	0	0	1	14	720.668	0.001209	Thiophenic compounds
4171	52	76	0	0	2	15	764.728	0.000131	Thiophenic compounds
4172	52	76	0	0	1	15	732.668	0.001204	Thiophenic compounds
4173	53	76	0	0	1	16	744.668	0.000816	Thiophenic compounds
4174	54	76	0	0	1	17	756.668	0.000274	Thiophenic compounds
4175	44	78	0	0	1	6	638.684	0.00304	Thiophenic compounds
4176	45	78	0	0	1	7	650.684	0.002103	Thiophenic compounds
4177	46	78	0	0	1	8	662.684	0.001068	Thiophenic compounds
4178	47	78	0	0	1	9	674.684	0.001433	Thiophenic compounds
4179	48	78	0	0	1	10	686.684	0.001795	Thiophenic compounds
4180	49	78	0	0	1	11	698.684	0.001706	Thiophenic compounds
4181	50	78	0	0	2	12	742.744	0.000215	Thiophenic compounds
4182	50	78	0	0	1	12	710.684	0.001455	Thiophenic compounds
4183	51	78	0	0	2	13	754.744	0.000189	Thiophenic compounds
4184	51	78	0	0	1	13	722.684	0.001504	Thiophenic compounds
4185	52	78	0	0	1	14	734.684	0.001209	Thiophenic compounds
4186	53	78	0	0	1	15	746.684	0.000262	Thiophenic compounds
4187	54	78	0	0	1	16	758.684	0.000456	Thiophenic compounds
4188	45	80	0	0	1	6	652.7	0.002467	Thiophenic compounds
4189	46	80	0	0	1	7	664.7	0.001627	Thiophenic compounds
4190	47	80	0	0	1	8	676.7	0.001079	Thiophenic compounds
4191	48	80	0	0	1	9	688.7	0.001449	Thiophenic compounds
4192	49	80	0	0	1	10	700.7	0.001184	Thiophenic compounds
4193	50	80	0	0	1	11	712.7	0.001628	Thiophenic compounds
4194	51	80	0	0	2	12	756.76	0.000132	Thiophenic compounds
4195	51	80	0	0	1	12	724.7	0.001409	Thiophenic compounds
4196	52	80	0	0	1	13	736.7	0.001194	Thiophenic compounds
4197	53	80	0	0	1	14	748.7	0.000495	Thiophenic compounds
4198	54	80	0	0	1	15	760.7	0.000284	Thiophenic compounds
4199	46	82	0	0	1	6	666.716	0.001817	Thiophenic compounds
4200	47	82	0	0	1	7	678.716	0.001581	Thiophenic compounds
4201	48	82	0	0	1	8	690.716	0.000394	Thiophenic compounds
4202	49	82	0	0	1	9	702.716	0.000772	Thiophenic compounds
4203	50	82	0	0	1	10	714.716	0.000751	Thiophenic compounds
4204	51	82	0	0	1	11	726.716	0.000613	Thiophenic compounds
4205	52	82	0	0	1	12	738.716	0.001294	Thiophenic compounds
4206	53	82	0	0	1	13	750.716	0.000409	Thiophenic compounds
4207	54	82	0	0	1	14	762.716	0.000291	Thiophenic compounds
4208	47	84	0	0	1	6	680.732	0.000915	Thiophenic compounds
4209	48	84	0	0	1	7	692.732	0.000798	Thiophenic compounds
4210	49	84	0	0	1	8	704.732	0.000232	Thiophenic compounds
4211	50	84	0	0	1	9	716.732	0.000544	Thiophenic compounds
4212	51	84	0	0	1	10	728.732	0.000874	Thiophenic compounds
4213	52	84	0	0	1	11	740.732	0.00086	Thiophenic compounds
4214	53	84	0	0	1	12	752.732	0.00044	Thiophenic compounds
4215	54	84	0	0	1	13	764.732	0.000152	Thiophenic compounds
4216	48	86	0	0	1	6	694.748	0.000568	Thiophenic compounds
4217	49	86	0	0	1	7	706.748	0.000265	Thiophenic compounds
4218	50	86	0	0	1	8	718.748	0.000234	Thiophenic compounds
4219	51	86	0	0	1	9	730.748	0.000398	Thiophenic compounds
4220	52	86	0	0	1	10	742.748	0.000238	Thiophenic compounds
4221	53	86	0	0	1	11	754.748	0.000483	Thiophenic compounds
4222	54	86	0	0	1	12	766.748	0.00026	Thiophenic compounds
4223	49	88	0	0	1	6	708.764	0.000465	Thiophenic compounds
4224	50	88	0	0	1	7	720.764	0.000405	Thiophenic compounds
4225	51	88	0	0	1	8	732.764	0.000352	Thiophenic compounds
4226	52	88	0	0	1	9	744.764	0.000179	Thiophenic compounds
4227	53	88	0	0	1	10	756.764	0.000439	Thiophenic compounds
4228	54	88	0	0	1	11	768.764	0.000141	Thiophenic compounds
4229	50	90	0	0	1	6	722.78	5.7e-05	Thiophenic compounds
4230	51	90	0	0	1	7	734.78	0.000339	Thiophenic compounds
4231	52	90	0	0	1	8	746.78	0.00017	Thiophenic compounds
4232	53	90	0	0	1	9	758.78	0.000116	Thiophenic compounds
4233	51	92	0	0	1	6	736.796	0.000163	Thiophenic compounds
4234	52	92	0	0	1	7	748.796	0.000235	Thiophenic compounds
4235	53	94	0	0	1	7	762.812	0.000139	Thiophenic compounds
4236	16	12	3	0	0	11	252.096	0.00082	Acidic fraction
4237	17	12	1	0	0	12	232.096	0.000856	Acidic fraction
4238	17	12	2	0	0	12	248.096	0.001279	Acidic fraction
4239	18	12	1	0	0	13	244.096	0.001177	Acidic fraction
4240	18	12	2	0	0	13	260.096	0.002734	Acidic fraction
4241	18	12	4	0	0	13	292.096	0.000766	Acidic fraction
4242	19	12	1	0	0	14	256.096	0.000829	Acidic fraction
4243	19	12	2	0	0	14	272.096	0.000898	Acidic fraction
4244	20	12	1	0	0	15	268.096	0.001478	Acidic fraction
4245	20	12	2	0	0	15	284.096	0.001069	Acidic fraction
4246	21	12	2	0	0	16	296.096	0.000918	Acidic fraction
4247	23	12	1	0	0	18	304.096	0.001185	Acidic fraction
4248	15	14	1	0	0	9	210.112	0.000579	Acidic fraction
4249	16	14	1	0	0	10	222.112	0.000836	Acidic fraction
4250	16	14	2	0	0	10	238.112	0.001256	Acidic fraction
4251	17	14	1	0	0	11	234.112	0.001836	Acidic fraction
4252	17	14	2	0	0	11	250.112	0.001063	Acidic fraction
4253	17	14	3	0	0	11	266.112	0.000714	Acidic fraction
4254	18	14	1	0	0	12	246.112	0.009617	Acidic fraction
4255	18	14	2	0	0	12	262.112	0.00303	Acidic fraction
4256	19	14	1	0	0	13	258.112	0.005163	Acidic fraction
4257	19	14	2	0	0	13	274.112	0.008052	Acidic fraction
4258	19	14	4	0	0	13	306.112	0.001353	Acidic fraction
4259	20	14	1	0	0	14	270.112	0.007042	Acidic fraction
4260	20	14	2	0	0	14	286.112	0.002067	Acidic fraction
4261	21	14	1	0	0	15	282.112	0.003913	Acidic fraction
4262	21	14	2	0	0	15	298.112	0.001944	Acidic fraction
4263	22	14	1	0	0	16	294.112	0.001863	Acidic fraction
4264	22	14	2	0	0	16	310.112	0.00383	Acidic fraction
4265	23	14	1	0	0	17	306.112	0.000878	Acidic fraction
4266	24	14	1	0	0	18	318.112	0.002279	Acidic fraction
4267	14	16	3	0	0	7	232.128	0.003857	Acidic fraction
4268	15	16	3	0	0	8	244.128	0.000605	Acidic fraction
4269	16	16	1	0	0	9	224.128	0.000638	Acidic fraction
4270	16	16	2	0	0	9	240.128	0.001829	Acidic fraction
4271	16	16	3	0	0	9	256.128	0.010612	Acidic fraction
4272	17	16	1	0	0	10	236.128	0.004889	Acidic fraction
4273	17	16	2	0	0	10	252.128	0.004159	Acidic fraction
4274	18	16	1	0	0	11	248.128	0.018207	Acidic fraction
4275	18	16	2	0	0	11	264.128	0.003329	Acidic fraction
4276	18	16	3	0	0	11	280.128	0.001227	Acidic fraction
4277	19	16	1	0	0	12	260.128	0.018992	Acidic fraction
4278	19	16	2	0	0	12	276.128	0.004233	Acidic fraction
4279	20	16	1	0	0	13	272.128	0.012843	Acidic fraction
4280	20	16	2	0	0	13	288.128	0.014601	Acidic fraction
4281	20	16	4	0	0	13	320.128	0.001548	Acidic fraction
4282	21	16	1	0	0	14	284.128	0.022071	Acidic fraction
4283	21	16	2	0	0	14	300.128	0.003697	Acidic fraction
4284	22	16	1	0	0	15	296.128	0.00697	Acidic fraction
4285	22	16	2	0	0	15	312.128	0.002916	Acidic fraction
4286	23	16	1	0	0	16	308.128	0.005924	Acidic fraction
4287	23	16	2	0	0	16	324.128	0.004668	Acidic fraction
4288	24	16	1	0	0	17	320.128	0.002957	Acidic fraction
4289	25	16	1	0	0	18	332.128	0.003076	Acidic fraction
4290	15	18	3	0	0	7	246.144	0.002676	Acidic fraction
4291	16	18	1	0	0	8	226.144	0.000631	Acidic fraction
4292	16	18	3	0	0	8	258.144	0.001036	Acidic fraction
4293	17	18	1	0	0	9	238.144	0.006231	Acidic fraction
4294	17	18	2	0	0	9	254.144	0.004729	Acidic fraction
4295	17	18	3	0	0	9	270.144	0.036383	Acidic fraction
4296	18	18	1	0	0	10	250.144	0.013343	Acidic fraction
4297	18	18	2	0	0	10	266.144	0.006477	Acidic fraction
4298	18	18	3	0	0	10	282.144	0.001114	Acidic fraction
4299	19	18	1	0	0	11	262.144	0.02963	Acidic fraction
4300	19	18	2	0	0	11	278.144	0.003882	Acidic fraction
4301	19	18	3	0	0	11	294.144	0.001056	Acidic fraction
4302	20	18	1	0	0	12	274.144	0.029705	Acidic fraction
4303	20	18	2	0	0	12	290.144	0.004544	Acidic fraction
4304	21	18	1	0	0	13	286.144	0.020053	Acidic fraction
4305	21	18	2	0	0	13	302.144	0.022333	Acidic fraction
4306	21	18	4	0	0	13	334.144	0.001317	Acidic fraction
4307	22	18	1	0	0	14	298.144	0.031721	Acidic fraction
4308	22	18	2	0	0	14	314.144	0.004598	Acidic fraction
4309	23	18	1	0	0	15	310.144	0.011928	Acidic fraction
4310	23	18	2	0	0	15	326.144	0.00147	Acidic fraction
4311	24	18	1	0	0	16	322.144	0.008049	Acidic fraction
4312	24	18	2	0	0	16	338.144	0.005697	Acidic fraction
4313	25	18	1	0	0	17	334.144	0.002704	Acidic fraction
4314	25	18	2	0	0	17	350.144	0.001749	Acidic fraction
4315	26	18	1	0	0	18	346.144	0.00147	Acidic fraction
4316	16	20	3	0	0	7	260.16	0.004444	Acidic fraction
4317	17	20	1	0	0	8	240.16	0.002377	Acidic fraction
4318	17	20	3	0	0	8	272.16	0.001318	Acidic fraction
4319	18	20	1	0	0	9	252.16	0.014084	Acidic fraction
4320	18	20	2	0	0	9	268.16	0.006129	Acidic fraction
4321	18	20	3	0	0	9	284.16	0.000873	Acidic fraction
4322	19	20	1	0	0	10	264.16	0.019527	Acidic fraction
4323	19	20	2	0	0	10	280.16	0.009557	Acidic fraction
4324	19	20	3	0	0	10	296.16	0.001274	Acidic fraction
4325	20	20	1	0	0	11	276.16	0.036553	Acidic fraction
4326	20	20	2	0	0	11	292.16	0.003948	Acidic fraction
4327	21	20	1	0	0	12	288.16	0.034405	Acidic fraction
4328	21	20	2	0	0	12	304.16	0.004528	Acidic fraction
4329	22	20	1	0	0	13	300.16	0.026324	Acidic fraction
4330	22	20	2	0	0	13	316.16	0.022612	Acidic fraction
4331	22	20	4	0	0	13	348.16	0.001025	Acidic fraction
4332	23	20	1	0	0	14	312.16	0.030505	Acidic fraction
4333	23	20	2	0	0	14	328.16	0.004122	Acidic fraction
4334	24	20	1	0	0	15	324.16	0.009288	Acidic fraction
4335	24	20	2	0	0	15	340.16	0.001002	Acidic fraction
4336	25	20	1	0	0	16	336.16	0.008419	Acidic fraction
4337	25	20	2	0	0	16	352.16	0.005803	Acidic fraction
4338	26	20	1	0	0	17	348.16	0.003494	Acidic fraction
4339	26	20	2	0	0	17	364.16	0.002242	Acidic fraction
4340	27	20	1	0	0	18	360.16	0.001887	Acidic fraction
4341	15	22	3	0	0	5	250.176	0.000882	Acidic fraction
4342	16	22	1	0	0	6	230.176	0.000713	Acidic fraction
4343	17	22	1	0	0	7	242.176	0.002059	Acidic fraction
4344	17	22	3	0	0	7	274.176	0.003625	Acidic fraction
4345	18	22	1	0	0	8	254.176	0.005266	Acidic fraction
4346	18	22	2	0	0	8	270.176	0.001363	Acidic fraction
4347	18	22	3	0	0	8	286.176	0.002179	Acidic fraction
4348	19	22	1	0	0	9	266.176	0.017986	Acidic fraction
4349	19	22	2	0	0	9	282.176	0.008139	Acidic fraction
4350	19	22	3	0	0	9	298.176	0.001226	Acidic fraction
4351	20	22	1	0	0	10	278.176	0.028393	Acidic fraction
4352	20	22	2	0	0	10	294.176	0.008229	Acidic fraction
4353	20	22	3	0	0	10	310.176	0.001819	Acidic fraction
4354	21	22	1	0	0	11	290.176	0.034352	Acidic fraction
4355	21	22	2	0	0	11	306.176	0.005213	Acidic fraction
4356	22	22	1	0	0	12	302.176	0.031512	Acidic fraction
4357	22	22	2	0	0	12	318.176	0.004149	Acidic fraction
4358	23	22	1	0	0	13	314.176	0.02473	Acidic fraction
4359	23	22	2	0	0	13	330.176	0.015002	Acidic fraction
4360	24	22	1	0	0	14	326.176	0.018984	Acidic fraction
4361	24	22	2	0	0	14	342.176	0.00329	Acidic fraction
4362	25	22	1	0	0	15	338.176	0.009569	Acidic fraction
4363	25	22	2	0	0	15	354.176	0.001604	Acidic fraction
4364	26	22	1	0	0	16	350.176	0.006808	Acidic fraction
4365	26	22	2	0	0	16	366.176	0.004702	Acidic fraction
4366	27	22	1	0	0	17	362.176	0.003004	Acidic fraction
4367	27	22	2	0	0	17	378.176	0.002974	Acidic fraction
4368	28	22	1	0	0	18	374.176	0.002135	Acidic fraction
4369	16	24	1	0	0	5	232.192	0.000655	Acidic fraction
4370	16	24	3	0	0	5	264.192	0.001168	Acidic fraction
4371	17	24	1	0	0	6	244.192	0.002512	Acidic fraction
4372	18	24	1	0	0	7	256.192	0.003759	Acidic fraction
4373	18	24	2	0	0	7	272.192	0.001081	Acidic fraction
4374	18	24	3	0	0	7	288.192	0.00288	Acidic fraction
4375	19	24	1	0	0	8	268.192	0.009629	Acidic fraction
4376	19	24	2	0	0	8	284.192	0.001857	Acidic fraction
4377	19	24	3	0	0	8	300.192	0.002191	Acidic fraction
4378	20	24	1	0	0	9	280.192	0.023939	Acidic fraction
4379	20	24	2	0	0	9	296.192	0.009155	Acidic fraction
4380	20	24	3	0	0	9	312.192	0.001878	Acidic fraction
4381	21	24	1	0	0	10	292.192	0.024076	Acidic fraction
4382	21	24	2	0	0	10	308.192	0.00758	Acidic fraction
4383	21	24	3	0	0	10	324.192	0.000898	Acidic fraction
4384	22	24	1	0	0	11	304.192	0.033374	Acidic fraction
4385	22	24	2	0	0	11	320.192	0.005098	Acidic fraction
4386	23	24	1	0	0	12	316.192	0.027461	Acidic fraction
4387	23	24	2	0	0	12	332.192	0.003747	Acidic fraction
4388	24	24	1	0	0	13	328.192	0.017778	Acidic fraction
4389	24	24	2	0	0	13	344.192	0.010883	Acidic fraction
4390	25	24	1	0	0	14	340.192	0.010108	Acidic fraction
4391	25	24	2	0	0	14	356.192	0.00487	Acidic fraction
4392	26	24	1	0	0	15	352.192	0.00835	Acidic fraction
4393	26	24	2	0	0	15	368.192	0.001514	Acidic fraction
4394	27	24	1	0	0	16	364.192	0.00623	Acidic fraction
4395	27	24	2	0	0	16	380.192	0.002024	Acidic fraction
4396	28	24	1	0	0	17	376.192	0.002307	Acidic fraction
4397	28	24	2	0	0	17	392.192	0.002013	Acidic fraction
4398	29	24	1	0	0	18	388.192	0.001497	Acidic fraction
4399	16	26	3	0	0	4	266.208	0.000846	Acidic fraction
4400	17	26	1	0	0	5	246.208	0.002233	Acidic fraction
4401	17	26	3	0	0	5	278.208	0.001087	Acidic fraction
4402	18	26	1	0	0	6	258.208	0.004706	Acidic fraction
4403	19	26	1	0	0	7	270.208	0.007326	Acidic fraction
4404	19	26	2	0	0	7	286.208	0.000712	Acidic fraction
4405	19	26	3	0	0	7	302.208	0.001549	Acidic fraction
4406	20	26	1	0	0	8	282.208	0.015709	Acidic fraction
4407	20	26	2	0	0	8	298.208	0.002188	Acidic fraction
4408	20	26	3	0	0	8	314.208	0.001945	Acidic fraction
4409	21	26	1	0	0	9	294.208	0.024526	Acidic fraction
4410	21	26	2	0	0	9	310.208	0.008753	Acidic fraction
4411	21	26	3	0	0	9	326.208	0.001674	Acidic fraction
4412	22	26	1	0	0	10	306.208	0.02637	Acidic fraction
4413	22	26	2	0	0	10	322.208	0.004917	Acidic fraction
4414	23	26	1	0	0	11	318.208	0.028387	Acidic fraction
4415	23	26	2	0	0	11	334.208	0.003586	Acidic fraction
4416	24	26	1	0	0	12	330.208	0.018961	Acidic fraction
4417	24	26	2	0	0	12	346.208	0.002477	Acidic fraction
4418	25	26	1	0	0	13	342.208	0.012867	Acidic fraction
4419	25	26	2	0	0	13	358.208	0.007681	Acidic fraction
4420	26	26	1	0	0	14	354.208	0.009383	Acidic fraction
4421	26	26	2	0	0	14	370.208	0.003726	Acidic fraction
4422	27	26	1	0	0	15	366.208	0.006515	Acidic fraction
4423	27	26	2	0	0	15	382.208	0.001463	Acidic fraction
4424	28	26	1	0	0	16	378.208	0.004559	Acidic fraction
4425	28	26	2	0	0	16	394.208	0.001724	Acidic fraction
4426	29	26	1	0	0	17	390.208	0.002522	Acidic fraction
4427	29	26	2	0	0	17	406.208	0.001688	Acidic fraction
4428	30	26	1	0	0	18	402.208	0.001573	Acidic fraction
4429	17	28	1	0	0	4	248.224	0.002769	Acidic fraction
4430	17	28	3	0	0	4	280.224	0.000888	Acidic fraction
4431	18	28	1	0	0	5	260.224	0.004928	Acidic fraction
4432	18	28	3	0	0	5	292.224	0.00155	Acidic fraction
4433	19	28	1	0	0	6	272.224	0.007772	Acidic fraction
4434	19	28	3	0	0	6	304.224	0.001047	Acidic fraction
4435	20	28	1	0	0	7	284.224	0.013956	Acidic fraction
4436	20	28	3	0	0	7	316.224	0.001548	Acidic fraction
4437	21	28	1	0	0	8	296.224	0.024559	Acidic fraction
4438	21	28	2	0	0	8	312.224	0.001891	Acidic fraction
4439	22	28	1	0	0	9	308.224	0.029026	Acidic fraction
4440	22	28	2	0	0	9	324.224	0.005833	Acidic fraction
4441	22	28	3	0	0	9	340.224	0.001123	Acidic fraction
4442	23	28	1	0	0	10	320.224	0.025731	Acidic fraction
4443	23	28	2	0	0	10	336.224	0.004407	Acidic fraction
4444	24	28	1	0	0	11	332.224	0.021492	Acidic fraction
4445	24	28	2	0	0	11	348.224	0.003024	Acidic fraction
4446	25	28	1	0	0	12	344.224	0.015382	Acidic fraction
4447	25	28	2	0	0	12	360.224	0.002398	Acidic fraction
4448	26	28	1	0	0	13	356.224	0.012729	Acidic fraction
4449	26	28	2	0	0	13	372.224	0.005416	Acidic fraction
4450	27	28	1	0	0	14	368.224	0.008174	Acidic fraction
4451	27	28	2	0	0	14	384.224	0.003018	Acidic fraction
4452	28	28	1	0	0	15	380.224	0.004623	Acidic fraction
4453	28	28	2	0	0	15	396.224	0.001257	Acidic fraction
4454	29	28	1	0	0	16	392.224	0.002529	Acidic fraction
4455	30	28	1	0	0	17	404.224	0.001113	Acidic fraction
4456	30	28	2	0	0	17	420.224	0.001123	Acidic fraction
4457	18	30	1	0	0	4	262.24	0.005158	Acidic fraction
4458	18	30	3	0	0	4	294.24	0.000789	Acidic fraction
4459	19	30	1	0	0	5	274.24	0.0077	Acidic fraction
4460	20	30	1	0	0	6	286.24	0.012418	Acidic fraction
4461	20	30	3	0	0	6	318.24	0.000886	Acidic fraction
4462	21	30	1	0	0	7	298.24	0.018619	Acidic fraction
4463	21	30	3	0	0	7	330.24	0.00114	Acidic fraction
4464	22	30	1	0	0	8	310.24	0.033108	Acidic fraction
4465	22	30	2	0	0	8	326.24	0.001976	Acidic fraction
4466	23	30	1	0	0	9	322.24	0.028807	Acidic fraction
4467	23	30	2	0	0	9	338.24	0.00532	Acidic fraction
4468	24	30	1	0	0	10	334.24	0.017573	Acidic fraction
4469	24	30	2	0	0	10	350.24	0.00314	Acidic fraction
4470	25	30	1	0	0	11	346.24	0.017484	Acidic fraction
4471	25	30	2	0	0	11	362.24	0.002402	Acidic fraction
4472	26	30	1	0	0	12	358.24	0.013403	Acidic fraction
4473	26	30	2	0	0	12	374.24	0.002493	Acidic fraction
4474	27	30	1	0	0	13	370.24	0.009338	Acidic fraction
4475	27	30	2	0	0	13	386.24	0.003538	Acidic fraction
4476	28	30	1	0	0	14	382.24	0.006878	Acidic fraction
4477	28	30	2	0	0	14	398.24	0.001673	Acidic fraction
4478	29	30	1	0	0	15	394.24	0.004214	Acidic fraction
4479	30	30	1	0	0	16	406.24	0.00221	Acidic fraction
4480	31	30	2	0	0	17	434.24	0.001233	Acidic fraction
4481	19	32	1	0	0	4	276.256	0.010942	Acidic fraction
4482	19	32	3	0	0	4	308.256	0.001373	Acidic fraction
4483	20	32	1	0	0	5	288.256	0.010974	Acidic fraction
4484	21	32	1	0	0	6	300.256	0.016918	Acidic fraction
4485	21	32	3	0	0	6	332.256	0.000846	Acidic fraction
4486	22	32	1	0	0	7	312.256	0.026572	Acidic fraction
4487	23	32	1	0	0	8	324.256	0.02884	Acidic fraction
4488	23	32	2	0	0	8	340.256	0.001383	Acidic fraction
4489	24	32	1	0	0	9	336.256	0.020906	Acidic fraction
4490	24	32	2	0	0	9	352.256	0.004725	Acidic fraction
4491	25	32	1	0	0	10	348.256	0.014863	Acidic fraction
4492	25	32	2	0	0	10	364.256	0.002164	Acidic fraction
4493	26	32	1	0	0	11	360.256	0.015743	Acidic fraction
4494	26	32	2	0	0	11	376.256	0.001999	Acidic fraction
4495	27	32	1	0	0	12	372.256	0.011944	Acidic fraction
4496	27	32	2	0	0	12	388.256	0.001508	Acidic fraction
4497	28	32	1	0	0	13	384.256	0.005404	Acidic fraction
4498	28	32	2	0	0	13	400.256	0.0034	Acidic fraction
4499	29	32	1	0	0	14	396.256	0.003796	Acidic fraction
4500	29	32	2	0	0	14	412.256	0.001108	Acidic fraction
4501	30	32	1	0	0	15	408.256	0.001886	Acidic fraction
4502	31	32	1	0	0	16	420.256	0.001562	Acidic fraction
4503	20	34	1	0	0	4	290.272	0.014445	Acidic fraction
4504	20	34	3	0	0	4	322.272	0.000975	Acidic fraction
4505	21	34	1	0	0	5	302.272	0.018645	Acidic fraction
4506	22	34	1	0	0	6	314.272	0.024324	Acidic fraction
4507	23	34	1	0	0	7	326.272	0.022907	Acidic fraction
4508	24	34	1	0	0	8	338.272	0.02594	Acidic fraction
4509	24	34	2	0	0	8	354.272	0.001799	Acidic fraction
4510	25	34	1	0	0	9	350.272	0.023531	Acidic fraction
4511	25	34	2	0	0	9	366.272	0.003154	Acidic fraction
4512	26	34	1	0	0	10	362.272	0.0151	Acidic fraction
4513	26	34	2	0	0	10	378.272	0.001719	Acidic fraction
4514	27	34	1	0	0	11	374.272	0.012867	Acidic fraction
4515	27	34	2	0	0	11	390.272	0.001667	Acidic fraction
4516	28	34	1	0	0	12	386.272	0.009022	Acidic fraction
4517	28	34	2	0	0	12	402.272	0.001087	Acidic fraction
4518	29	34	1	0	0	13	398.272	0.004843	Acidic fraction
4519	29	34	2	0	0	13	414.272	0.00203	Acidic fraction
4520	30	34	1	0	0	14	410.272	0.002674	Acidic fraction
4521	31	34	1	0	0	15	422.272	0.001387	Acidic fraction
4522	21	36	1	0	0	4	304.288	0.029841	Acidic fraction
4523	21	36	3	0	0	4	336.288	0.000995	Acidic fraction
4524	22	36	1	0	0	5	316.288	0.025764	Acidic fraction
4525	23	36	1	0	0	6	328.288	0.022465	Acidic fraction
4526	24	36	1	0	0	7	340.288	0.01976	Acidic fraction
4527	25	36	1	0	0	8	352.288	0.027638	Acidic fraction
4528	25	36	2	0	0	8	368.288	0.001216	Acidic fraction
4529	26	36	1	0	0	9	364.288	0.020094	Acidic fraction
4530	26	36	2	0	0	9	380.288	0.002735	Acidic fraction
4531	27	36	1	0	0	10	376.288	0.01347	Acidic fraction
4532	27	36	2	0	0	10	392.288	0.001678	Acidic fraction
4533	28	36	1	0	0	11	388.288	0.010083	Acidic fraction
4534	29	36	1	0	0	12	400.288	0.006796	Acidic fraction
4535	29	36	2	0	0	12	416.288	0.001127	Acidic fraction
4536	30	36	1	0	0	13	412.288	0.004147	Acidic fraction
4537	30	36	2	0	0	13	428.288	0.001717	Acidic fraction
4538	31	36	1	0	0	14	424.288	0.001793	Acidic fraction
4539	32	36	1	0	0	15	436.288	0.001363	Acidic fraction
4540	22	38	1	0	0	4	318.304	0.044411	Acidic fraction
4541	23	38	1	0	0	5	330.304	0.022915	Acidic fraction
4542	24	38	1	0	0	6	342.304	0.021145	Acidic fraction
4543	25	38	1	0	0	7	354.304	0.021398	Acidic fraction
4544	26	38	1	0	0	8	366.304	0.025375	Acidic fraction
4545	26	38	2	0	0	8	382.304	0.001024	Acidic fraction
4546	27	38	1	0	0	9	378.304	0.01584	Acidic fraction
4547	27	38	2	0	0	9	394.304	0.001835	Acidic fraction
4548	28	38	1	0	0	10	390.304	0.010193	Acidic fraction
4549	29	38	1	0	0	11	402.304	0.006619	Acidic fraction
4550	30	38	1	0	0	12	414.304	0.004308	Acidic fraction
4551	31	38	1	0	0	13	426.304	0.003752	Acidic fraction
4552	32	38	1	0	0	14	438.304	0.001712	Acidic fraction
4553	23	40	1	0	0	4	332.32	0.046811	Acidic fraction
4554	24	40	1	0	0	5	344.32	0.024038	Acidic fraction
4555	25	40	1	0	0	6	356.32	0.020917	Acidic fraction
4556	26	40	1	0	0	7	368.32	0.018372	Acidic fraction
4557	27	40	1	0	0	8	380.32	0.019529	Acidic fraction
4558	28	40	1	0	0	9	392.32	0.012966	Acidic fraction
4559	28	40	2	0	0	9	408.32	0.001162	Acidic fraction
4560	29	40	1	0	0	10	404.32	0.007378	Acidic fraction
4561	30	40	1	0	0	11	416.32	0.004512	Acidic fraction
4562	31	40	1	0	0	12	428.32	0.003617	Acidic fraction
4563	32	40	1	0	0	13	440.32	0.002025	Acidic fraction
4564	33	40	1	0	0	14	452.32	0.001721	Acidic fraction
4565	24	42	1	0	0	4	346.336	0.042539	Acidic fraction
4566	25	42	1	0	0	5	358.336	0.024952	Acidic fraction
4567	26	42	1	0	0	6	370.336	0.017381	Acidic fraction
4568	27	42	1	0	0	7	382.336	0.01586	Acidic fraction
4569	28	42	1	0	0	8	394.336	0.016781	Acidic fraction
4570	29	42	1	0	0	9	406.336	0.009838	Acidic fraction
4571	30	42	1	0	0	10	418.336	0.005305	Acidic fraction
4572	31	42	1	0	0	11	430.336	0.004023	Acidic fraction
4573	32	42	1	0	0	12	442.336	0.003168	Acidic fraction
4574	33	42	1	0	0	13	454.336	0.001446	Acidic fraction
4575	25	44	1	0	0	4	360.352	0.041454	Acidic fraction
4576	26	44	1	0	0	5	372.352	0.022836	Acidic fraction
4577	27	44	1	0	0	6	384.352	0.015814	Acidic fraction
4578	28	44	1	0	0	7	396.352	0.011264	Acidic fraction
4579	29	44	1	0	0	8	408.352	0.008314	Acidic fraction
4580	30	44	1	0	0	9	420.352	0.007709	Acidic fraction
4581	30	44	2	0	0	9	436.352	0.00134	Acidic fraction
4582	31	44	1	0	0	10	432.352	0.004255	Acidic fraction
4583	32	44	1	0	0	11	444.352	0.002809	Acidic fraction
4584	33	44	1	0	0	12	456.352	0.001361	Acidic fraction
4585	26	46	1	0	0	4	374.368	0.033885	Acidic fraction
4586	27	46	1	0	0	5	386.368	0.017978	Acidic fraction
4587	28	46	1	0	0	6	398.368	0.013176	Acidic fraction
4588	29	46	1	0	0	7	410.368	0.007857	Acidic fraction
4589	30	46	1	0	0	8	422.368	0.010342	Acidic fraction
4590	31	46	1	0	0	9	434.368	0.006145	Acidic fraction
4591	32	46	1	0	0	10	446.368	0.003769	Acidic fraction
4592	33	46	1	0	0	11	458.368	0.002069	Acidic fraction
4593	27	48	1	0	0	4	388.384	0.028059	Acidic fraction
4594	28	48	1	0	0	5	400.384	0.014996	Acidic fraction
4595	29	48	1	0	0	6	412.384	0.010876	Acidic fraction
4596	30	48	1	0	0	7	424.384	0.007196	Acidic fraction
4597	31	48	1	0	0	8	436.384	0.007087	Acidic fraction
4598	32	48	1	0	0	9	448.384	0.003161	Acidic fraction
4599	33	48	1	0	0	10	460.384	0.001808	Acidic fraction
4600	34	48	1	0	0	11	472.384	0.001264	Acidic fraction
4601	28	50	1	0	0	4	402.4	0.022796	Acidic fraction
4602	29	50	1	0	0	5	414.4	0.011204	Acidic fraction
4603	30	50	1	0	0	6	426.4	0.007618	Acidic fraction
4604	31	50	1	0	0	7	438.4	0.004429	Acidic fraction
4605	32	50	1	0	0	8	450.4	0.004415	Acidic fraction
4606	33	50	1	0	0	9	462.4	0.002109	Acidic fraction
4607	34	50	1	0	0	10	474.4	0.001337	Acidic fraction
4608	35	50	1	0	0	11	486.4	0.001303	Acidic fraction
4609	29	52	1	0	0	4	416.416	0.016639	Acidic fraction
4610	30	52	1	0	0	5	428.416	0.008294	Acidic fraction
4611	31	52	1	0	0	6	440.416	0.005627	Acidic fraction
4612	32	52	1	0	0	7	452.416	0.002927	Acidic fraction
4613	33	52	1	0	0	8	464.416	0.002352	Acidic fraction
4614	34	52	1	0	0	9	476.416	0.001777	Acidic fraction
4615	30	54	1	0	0	4	430.432	0.014456	Acidic fraction
4616	31	54	1	0	0	5	442.432	0.006263	Acidic fraction
4617	32	54	1	0	0	6	454.432	0.003204	Acidic fraction
4618	33	54	1	0	0	7	466.432	0.002685	Acidic fraction
4619	34	54	1	0	0	8	478.432	0.001986	Acidic fraction
4620	31	56	1	0	0	4	444.448	0.009925	Acidic fraction
4621	32	56	1	0	0	5	456.448	0.004358	Acidic fraction
4622	33	56	1	0	0	6	468.448	0.002789	Acidic fraction
4623	34	56	1	0	0	7	480.448	0.001697	Acidic fraction
4624	35	56	1	0	0	8	492.448	0.001708	Acidic fraction
4625	32	58	1	0	0	4	458.464	0.007757	Acidic fraction
4626	33	58	1	0	0	5	470.464	0.003256	Acidic fraction
4627	34	58	1	0	0	6	482.464	0.001315	Acidic fraction
4628	33	60	1	0	0	4	472.48	0.005018	Acidic fraction
4629	34	60	1	0	0	5	484.48	0.002861	Acidic fraction
4630	35	60	1	0	0	6	496.48	0.001312	Acidic fraction
4631	34	62	1	0	0	4	486.496	0.003609	Acidic fraction
4632	35	62	1	0	0	5	498.496	0.00266	Acidic fraction
4633	35	64	1	0	0	4	500.512	0.003069	Acidic fraction
4634	36	64	1	0	0	5	512.512	0.001345	Acidic fraction
4635	36	66	1	0	0	4	514.528	0.00205	Acidic fraction
4636	37	66	1	0	0	5	526.528	0.001373	Acidic fraction
4637	37	68	1	0	0	4	528.544	0.001927	Acidic fraction