vgo_47_formula

id
C
H
O
N
S
DBE
molecular_weight
mass fraction_wtpct
compound type
1 17 36 0 0 0 0 240.288 0.293742 Saturates
2 18 38 0 0 0 0 254.304 0.687959 Saturates
3 19 40 0 0 0 0 268.32 1.04509 Saturates
4 20 42 0 0 0 0 282.336 1.81167 Saturates
5 21 44 0 0 0 0 296.352 2.48806 Saturates
6 22 46 0 0 0 0 310.368 3.30864 Saturates
7 23 48 0 0 0 0 324.384 3.60246 Saturates
8 24 50 0 0 0 0 338.4 3.64498 Saturates
9 25 52 0 0 0 0 352.416 2.83106 Saturates
10 26 54 0 0 0 0 366.432 2.16487 Saturates
11 27 56 0 0 0 0 380.448 1.51692 Saturates
12 28 58 0 0 0 0 394.464 0.807609 Saturates
13 16 32 0 0 0 1 224.256 0.184957 Saturates
14 17 34 0 0 0 1 238.272 0.253574 Saturates
15 18 36 0 0 0 1 252.288 0.276617 Saturates
16 19 38 0 0 0 1 266.304 0.433579 Saturates
17 20 40 0 0 0 1 280.32 0.630135 Saturates
18 21 42 0 0 0 1 294.336 0.800911 Saturates
19 22 44 0 0 0 1 308.352 1.02226 Saturates
20 23 46 0 0 0 1 322.368 1.28732 Saturates
21 24 48 0 0 0 1 336.384 1.2228 Saturates
22 25 50 0 0 0 1 350.4 1.10977 Saturates
23 26 52 0 0 0 1 364.416 0.861779 Saturates
24 27 54 0 0 0 1 378.432 0.600598 Saturates
25 28 56 0 0 0 1 392.448 0.384048 Saturates
26 29 58 0 0 0 1 406.464 0.269627 Saturates
27 18 34 0 0 0 2 250.272 0.198272 Saturates
28 19 36 0 0 0 2 264.288 0.430132 Saturates
29 20 38 0 0 0 2 278.304 0.723114 Saturates
30 21 40 0 0 0 2 292.32 0.753577 Saturates
31 22 42 0 0 0 2 306.336 1.14148 Saturates
32 23 44 0 0 0 2 320.352 1.31499 Saturates
33 24 46 0 0 0 2 334.368 1.34657 Saturates
34 25 48 0 0 0 2 348.384 1.45643 Saturates
35 26 50 0 0 0 2 362.4 1.16843 Saturates
36 27 52 0 0 0 2 376.416 0.870829 Saturates
37 28 54 0 0 0 2 390.432 0.715559 Saturates
38 20 36 0 0 0 3 276.288 0.383831 Saturates
39 21 38 0 0 0 3 290.304 0.55511 Saturates
40 22 40 0 0 0 3 304.32 0.626015 Saturates
41 23 42 0 0 0 3 318.336 1.12578 Saturates
42 24 44 0 0 0 3 332.352 0.859353 Saturates
43 25 46 0 0 0 3 346.368 0.813251 Saturates
44 26 48 0 0 0 3 360.384 0.792658 Saturates
45 22 38 0 0 0 4 302.304 0.267846 Saturates
46 23 40 0 0 0 4 316.32 0.411534 Saturates
47 24 42 0 0 0 4 330.336 0.431212 Saturates
48 25 44 0 0 0 4 344.352 0.386702 Saturates
49 26 46 0 0 0 4 358.368 0.417582 Saturates
50 15 24 0 0 0 4 204.192 0.120494 Aromatics
51 16 26 0 0 0 4 218.208 0.326174 Aromatics
52 17 28 0 0 0 4 232.224 0.474253 Aromatics
53 18 30 0 0 0 4 246.24 0.628217 Aromatics
54 19 32 0 0 0 4 260.256 0.829668 Aromatics
55 20 34 0 0 0 4 274.272 0.931367 Aromatics
56 21 36 0 0 0 4 288.288 1.10984 Aromatics
57 22 38 0 0 0 4 302.304 1.27118 Aromatics
58 23 40 0 0 0 4 316.32 1.28513 Aromatics
59 24 42 0 0 0 4 330.336 1.16055 Aromatics
60 25 44 0 0 0 4 344.352 0.937648 Aromatics
61 26 46 0 0 0 4 358.368 0.715576 Aromatics
62 27 48 0 0 0 4 372.384 0.346088 Aromatics
63 28 50 0 0 0 4 386.4 0.246458 Aromatics
64 15 22 0 0 0 5 202.176 0.091309 Aromatics
65 16 24 0 0 0 5 216.192 0.322646 Aromatics
66 17 26 0 0 0 5 230.208 0.475623 Aromatics
67 18 28 0 0 0 5 244.224 0.582942 Aromatics
68 19 30 0 0 0 5 258.24 0.613773 Aromatics
69 20 32 0 0 0 5 272.256 0.598993 Aromatics
70 21 34 0 0 0 5 286.272 0.601535 Aromatics
71 22 36 0 0 0 5 300.288 0.678044 Aromatics
72 23 38 0 0 0 5 314.304 0.695762 Aromatics
73 24 40 0 0 0 5 328.32 0.646955 Aromatics
74 25 42 0 0 0 5 342.336 0.531355 Aromatics
75 26 44 0 0 0 5 356.352 0.399828 Aromatics
76 27 46 0 0 0 5 370.368 0.242037 Aromatics
77 28 48 0 0 0 5 384.384 0.189144 Aromatics
78 17 24 0 0 0 6 228.192 0.139116 Aromatics
79 18 26 0 0 0 6 242.208 0.2501 Aromatics
80 19 28 0 0 0 6 256.224 0.418583 Aromatics
81 20 30 0 0 0 6 270.24 0.633487 Aromatics
82 21 32 0 0 0 6 284.256 0.631627 Aromatics
83 22 34 0 0 0 6 298.272 0.721829 Aromatics
84 23 36 0 0 0 6 312.288 0.659303 Aromatics
85 24 38 0 0 0 6 326.304 0.51179 Aromatics
86 25 40 0 0 0 6 340.32 0.479416 Aromatics
87 26 42 0 0 0 6 354.336 0.372808 Aromatics
88 27 44 0 0 0 6 368.352 0.204034 Aromatics
89 28 46 0 0 0 6 382.368 0.175556 Aromatics
90 15 18 0 0 0 7 198.144 0.209558 Aromatics
91 16 20 0 0 0 7 212.16 0.827835 Aromatics
92 17 22 0 0 0 7 226.176 1.34348 Aromatics
93 18 24 0 0 0 7 240.192 1.13853 Aromatics
94 19 26 0 0 0 7 254.208 0.81003 Aromatics
95 20 28 0 0 0 7 268.224 0.594222 Aromatics
96 21 30 0 0 0 7 282.24 0.451334 Aromatics
97 22 32 0 0 0 7 296.256 0.406345 Aromatics
98 23 34 0 0 0 7 310.272 0.365483 Aromatics
99 24 36 0 0 0 7 324.288 0.27864 Aromatics
100 25 38 0 0 0 7 338.304 0.240241 Aromatics
101 26 40 0 0 0 7 352.32 0.164919 Aromatics
102 27 42 0 0 0 7 366.336 0.105939 Aromatics
103 17 20 0 0 0 8 224.16 0.05458 Aromatics
104 18 22 0 0 0 8 238.176 0.134244 Aromatics
105 19 24 0 0 0 8 252.192 0.324678 Aromatics
106 20 26 0 0 0 8 266.208 0.419236 Aromatics
107 21 28 0 0 0 8 280.224 0.417142 Aromatics
108 22 30 0 0 0 8 294.24 0.323252 Aromatics
109 23 32 0 0 0 8 308.256 0.214938 Aromatics
110 24 34 0 0 0 8 322.272 0.13843 Aromatics
111 25 36 0 0 0 8 336.288 0.093988 Aromatics
112 18 20 0 0 0 9 236.16 0.093769 Aromatics
113 19 22 0 0 0 9 250.176 0.229818 Aromatics
114 20 24 0 0 0 9 264.192 0.294281 Aromatics
115 21 26 0 0 0 9 278.208 0.258508 Aromatics
116 22 28 0 0 0 9 292.224 0.21701 Aromatics
117 23 30 0 0 0 9 306.24 0.205709 Aromatics
118 24 32 0 0 0 9 320.256 0.148671 Aromatics
119 25 34 0 0 0 9 334.272 0.11221 Aromatics
120 18 18 0 0 0 10 234.144 0.068944 Aromatics
121 19 20 0 0 0 10 248.16 0.150622 Aromatics
122 20 22 0 0 0 10 262.176 0.221009 Aromatics
123 21 24 0 0 0 10 276.192 0.182623 Aromatics
124 22 26 0 0 0 10 290.208 0.109651 Aromatics
125 23 28 0 0 0 10 304.224 0.096898 Aromatics
126 24 30 0 0 0 10 318.24 0.063505 Aromatics
127 25 32 0 0 0 10 332.256 0.06035 Aromatics
128 21 39 1 1 0 3 321.322 2.6e-05 Neutral nitrogen compounds
129 20 37 1 1 0 3 307.306 4.3e-05 Neutral nitrogen compounds
130 19 35 1 1 0 3 293.29 5e-05 Neutral nitrogen compounds
131 18 33 1 1 0 3 279.274 5.5e-05 Neutral nitrogen compounds
132 17 31 1 1 0 3 265.258 5.5e-05 Neutral nitrogen compounds
133 16 29 1 1 0 3 251.242 5.5e-05 Neutral nitrogen compounds
134 15 27 1 1 0 3 237.226 4.4e-05 Neutral nitrogen compounds
135 14 25 1 1 0 3 223.21 3.3e-05 Neutral nitrogen compounds
136 13 23 1 1 0 3 209.194 2.3e-05 Neutral nitrogen compounds
137 12 21 1 1 0 3 195.178 5e-06 Neutral nitrogen compounds
138 27 49 0 1 0 4 387.402 3.2e-05 Neutral nitrogen compounds
139 26 47 0 1 0 4 373.386 5.4e-05 Neutral nitrogen compounds
140 25 45 0 1 0 4 359.37 0.000119 Neutral nitrogen compounds
141 24 43 0 1 0 4 345.354 0.00018 Neutral nitrogen compounds
142 24 43 1 1 0 4 361.354 1.2e-05 Neutral nitrogen compounds
143 23 41 0 1 0 4 331.338 0.000295 Neutral nitrogen compounds
144 23 41 1 1 0 4 347.338 3.3e-05 Neutral nitrogen compounds
145 22 39 0 1 0 4 317.322 0.000386 Neutral nitrogen compounds
146 22 39 1 1 0 4 333.322 6.2e-05 Neutral nitrogen compounds
147 21 37 0 1 0 4 303.306 0.000521 Neutral nitrogen compounds
148 21 37 1 1 0 4 319.306 9.4e-05 Neutral nitrogen compounds
149 20 35 0 1 0 4 289.29 0.000646 Neutral nitrogen compounds
150 20 35 1 1 0 4 305.29 0.000162 Neutral nitrogen compounds
151 19 33 0 1 0 4 275.274 0.000543 Neutral nitrogen compounds
152 19 33 1 1 0 4 291.274 0.00021 Neutral nitrogen compounds
153 18 31 0 1 0 4 261.258 0.000426 Neutral nitrogen compounds
154 18 31 1 1 0 4 277.258 0.000234 Neutral nitrogen compounds
155 17 29 0 1 0 4 247.242 0.00031 Neutral nitrogen compounds
156 17 29 1 1 0 4 263.242 0.00023 Neutral nitrogen compounds
157 16 27 0 1 0 4 233.226 0.000229 Neutral nitrogen compounds
158 16 27 1 1 0 4 249.226 0.000204 Neutral nitrogen compounds
159 15 25 0 1 0 4 219.21 0.000174 Neutral nitrogen compounds
160 15 25 1 1 0 4 235.21 0.000148 Neutral nitrogen compounds
161 14 23 0 1 0 4 205.194 7.7e-05 Neutral nitrogen compounds
162 14 23 1 1 0 4 221.194 8e-05 Neutral nitrogen compounds
163 13 21 1 1 0 4 207.178 1.7e-05 Neutral nitrogen compounds
164 28 49 0 1 0 5 399.402 4.5e-05 Neutral nitrogen compounds
165 27 47 0 1 0 5 385.386 9.8e-05 Neutral nitrogen compounds
166 26 45 0 1 0 5 371.37 0.00021 Neutral nitrogen compounds
167 25 43 0 1 0 5 357.354 0.000456 Neutral nitrogen compounds
168 24 41 0 1 0 5 343.338 0.00077 Neutral nitrogen compounds
169 23 39 0 1 0 5 329.322 0.00117 Neutral nitrogen compounds
170 23 39 1 1 0 5 345.322 4.7e-05 Neutral nitrogen compounds
171 22 37 0 1 0 5 315.306 0.0017 Neutral nitrogen compounds
172 22 37 1 1 0 5 331.306 0.000102 Neutral nitrogen compounds
173 21 35 0 1 0 5 301.29 0.002248 Neutral nitrogen compounds
174 21 35 1 1 0 5 317.29 0.000179 Neutral nitrogen compounds
175 20 33 0 1 0 5 287.274 0.002459 Neutral nitrogen compounds
176 20 33 1 1 0 5 303.274 0.000254 Neutral nitrogen compounds
177 19 31 0 1 0 5 273.258 0.002293 Neutral nitrogen compounds
178 19 31 1 1 0 5 289.258 0.000309 Neutral nitrogen compounds
179 19 31 0 1 1 5 305.318 5.2e-05 Neutral nitrogen compounds
180 18 29 0 1 0 5 259.242 0.002381 Neutral nitrogen compounds
181 18 29 1 1 0 5 275.242 0.000331 Neutral nitrogen compounds
182 18 29 0 1 1 5 291.302 5.9e-05 Neutral nitrogen compounds
183 17 27 0 1 0 5 245.226 0.002073 Neutral nitrogen compounds
184 17 27 1 1 0 5 261.226 0.000269 Neutral nitrogen compounds
185 17 27 0 1 1 5 277.286 7e-05 Neutral nitrogen compounds
186 16 25 0 1 0 5 231.21 0.001963 Neutral nitrogen compounds
187 16 25 1 1 0 5 247.21 0.000165 Neutral nitrogen compounds
188 16 25 0 1 1 5 263.27 7.4e-05 Neutral nitrogen compounds
189 15 23 0 1 0 5 217.194 0.000816 Neutral nitrogen compounds
190 15 23 1 1 0 5 233.194 0.000104 Neutral nitrogen compounds
191 15 23 0 1 1 5 249.254 6.8e-05 Neutral nitrogen compounds
192 14 21 0 1 0 5 203.178 0.000325 Neutral nitrogen compounds
193 14 21 1 1 0 5 219.178 5.5e-05 Neutral nitrogen compounds
194 14 21 0 1 1 5 235.238 5.2e-05 Neutral nitrogen compounds
195 13 19 1 1 0 5 205.162 2.3e-05 Neutral nitrogen compounds
196 13 19 0 1 1 5 221.222 4.4e-05 Neutral nitrogen compounds
197 12 17 0 1 0 5 175.146 4e-06 Neutral nitrogen compounds
198 12 17 0 1 1 5 207.206 1.7e-05 Neutral nitrogen compounds
199 29 49 0 1 0 6 411.402 1.8e-05 Neutral nitrogen compounds
200 28 47 0 1 0 6 397.386 5.8e-05 Neutral nitrogen compounds
201 27 45 0 1 0 6 383.37 0.000136 Neutral nitrogen compounds
202 26 43 0 1 0 6 369.354 0.000302 Neutral nitrogen compounds
203 25 41 0 1 0 6 355.338 0.000681 Neutral nitrogen compounds
204 24 39 0 1 0 6 341.322 0.001225 Neutral nitrogen compounds
205 23 37 0 1 0 6 327.306 0.002057 Neutral nitrogen compounds
206 23 37 1 1 0 6 343.306 3.9e-05 Neutral nitrogen compounds
207 23 37 0 1 1 6 359.366 3.1e-05 Neutral nitrogen compounds
208 22 35 0 1 0 6 313.29 0.003198 Neutral nitrogen compounds
209 22 35 1 1 0 6 329.29 7.5e-05 Neutral nitrogen compounds
210 22 35 0 1 1 6 345.35 8.6e-05 Neutral nitrogen compounds
211 21 33 0 1 0 6 299.274 0.004285 Neutral nitrogen compounds
212 21 33 1 1 0 6 315.274 0.000133 Neutral nitrogen compounds
213 21 33 0 1 1 6 331.334 0.000201 Neutral nitrogen compounds
214 20 31 0 1 0 6 285.258 0.005061 Neutral nitrogen compounds
215 20 31 1 1 0 6 301.258 0.000193 Neutral nitrogen compounds
216 20 31 0 1 1 6 317.318 0.000421 Neutral nitrogen compounds
217 19 29 0 1 0 6 271.242 0.005007 Neutral nitrogen compounds
218 19 29 1 1 0 6 287.242 0.000187 Neutral nitrogen compounds
219 19 29 0 1 1 6 303.302 0.000769 Neutral nitrogen compounds
220 18 27 0 1 0 6 257.226 0.004493 Neutral nitrogen compounds
221 18 27 1 1 0 6 273.226 0.000184 Neutral nitrogen compounds
222 18 27 0 1 1 6 289.286 0.001094 Neutral nitrogen compounds
223 17 25 0 1 0 6 243.21 0.00367 Neutral nitrogen compounds
224 17 25 1 1 0 6 259.21 0.000176 Neutral nitrogen compounds
225 17 25 0 1 1 6 275.27 0.001368 Neutral nitrogen compounds
226 16 23 0 1 0 6 229.194 0.002451 Neutral nitrogen compounds
227 16 23 1 1 0 6 245.194 0.000126 Neutral nitrogen compounds
228 16 23 0 1 1 6 261.254 0.001552 Neutral nitrogen compounds
229 15 21 0 1 0 6 215.178 0.000947 Neutral nitrogen compounds
230 15 21 1 1 0 6 231.178 9.1e-05 Neutral nitrogen compounds
231 15 21 0 1 1 6 247.238 0.001449 Neutral nitrogen compounds
232 14 19 0 1 0 6 201.162 0.000215 Neutral nitrogen compounds
233 14 19 1 1 0 6 217.162 4.5e-05 Neutral nitrogen compounds
234 14 19 0 1 1 6 233.222 0.001177 Neutral nitrogen compounds
235 13 17 1 1 0 6 203.146 1.9e-05 Neutral nitrogen compounds
236 13 17 0 1 1 6 219.206 0.000729 Neutral nitrogen compounds
237 12 15 0 1 1 6 205.19 0.000281 Neutral nitrogen compounds
238 30 49 0 1 0 7 423.402 1.4e-05 Neutral nitrogen compounds
239 29 47 0 1 0 7 409.386 2.2e-05 Neutral nitrogen compounds
240 28 45 0 1 0 7 395.37 6e-05 Neutral nitrogen compounds
241 27 43 0 1 0 7 381.354 0.00013 Neutral nitrogen compounds
242 26 41 0 1 0 7 367.338 0.000281 Neutral nitrogen compounds
243 25 39 0 1 0 7 353.322 0.000635 Neutral nitrogen compounds
244 24 37 0 1 0 7 339.306 0.001239 Neutral nitrogen compounds
245 24 37 0 1 1 7 371.366 2.3e-05 Neutral nitrogen compounds
246 23 35 0 1 0 7 325.29 0.002049 Neutral nitrogen compounds
247 23 35 0 1 1 7 357.35 4.1e-05 Neutral nitrogen compounds
248 22 33 0 1 0 7 311.274 0.003248 Neutral nitrogen compounds
249 22 33 1 1 0 7 327.274 6.7e-05 Neutral nitrogen compounds
250 22 33 0 1 1 7 343.334 8.8e-05 Neutral nitrogen compounds
251 21 31 0 1 0 7 297.258 0.004481 Neutral nitrogen compounds
252 21 31 1 1 0 7 313.258 7e-05 Neutral nitrogen compounds
253 21 31 0 1 1 7 329.318 0.000181 Neutral nitrogen compounds
254 20 29 0 1 0 7 283.242 0.005553 Neutral nitrogen compounds
255 20 29 1 1 0 7 299.242 0.0001 Neutral nitrogen compounds
256 20 29 0 1 1 7 315.302 0.000333 Neutral nitrogen compounds
257 19 27 0 1 0 7 269.226 0.005644 Neutral nitrogen compounds
258 19 27 1 1 0 7 285.226 0.000133 Neutral nitrogen compounds
259 19 27 0 1 1 7 301.286 0.000555 Neutral nitrogen compounds
260 18 25 0 1 0 7 255.21 0.00551 Neutral nitrogen compounds
261 18 25 1 1 0 7 271.21 0.000137 Neutral nitrogen compounds
262 18 25 0 1 1 7 287.27 0.000683 Neutral nitrogen compounds
263 17 23 0 1 0 7 241.194 0.005508 Neutral nitrogen compounds
264 17 23 1 1 0 7 257.194 0.000111 Neutral nitrogen compounds
265 17 23 0 1 1 7 273.254 0.000679 Neutral nitrogen compounds
266 16 21 0 1 0 7 227.178 0.005407 Neutral nitrogen compounds
267 16 21 1 1 0 7 243.178 0.0001 Neutral nitrogen compounds
268 16 21 0 1 1 7 259.238 0.000626 Neutral nitrogen compounds
269 15 19 0 1 0 7 213.162 0.004206 Neutral nitrogen compounds
270 15 19 1 1 0 7 229.162 6.9e-05 Neutral nitrogen compounds
271 15 19 0 1 1 7 245.222 0.000435 Neutral nitrogen compounds
272 14 17 0 1 0 7 199.146 0.001757 Neutral nitrogen compounds
273 14 17 1 1 0 7 215.146 4.9e-05 Neutral nitrogen compounds
274 14 17 0 1 1 7 231.206 0.00023 Neutral nitrogen compounds
275 13 15 0 1 0 7 185.13 1e-05 Neutral nitrogen compounds
276 13 15 1 1 0 7 201.13 1.8e-05 Neutral nitrogen compounds
277 13 15 0 1 1 7 217.19 8.1e-05 Neutral nitrogen compounds
278 12 13 0 1 0 7 171.114 6e-06 Neutral nitrogen compounds
279 12 13 0 1 1 7 203.174 2.5e-05 Neutral nitrogen compounds
280 11 11 0 1 0 7 157.098 4e-06 Neutral nitrogen compounds
281 30 47 0 1 0 8 421.386 1.2e-05 Neutral nitrogen compounds
282 29 45 0 1 0 8 407.37 2.2e-05 Neutral nitrogen compounds
283 28 43 0 1 0 8 393.354 3.3e-05 Neutral nitrogen compounds
284 27 41 0 1 0 8 379.338 8.4e-05 Neutral nitrogen compounds
285 26 39 0 1 0 8 365.322 0.000183 Neutral nitrogen compounds
286 25 37 0 1 0 8 351.306 0.000406 Neutral nitrogen compounds
287 24 35 0 1 0 8 337.29 0.000706 Neutral nitrogen compounds
288 23 33 0 1 0 8 323.274 0.001217 Neutral nitrogen compounds
289 23 33 1 1 0 8 339.274 2.7e-05 Neutral nitrogen compounds
290 23 33 0 1 1 8 355.334 2.1e-05 Neutral nitrogen compounds
291 22 31 0 1 0 8 309.258 0.002045 Neutral nitrogen compounds
292 22 31 1 1 0 8 325.258 3.6e-05 Neutral nitrogen compounds
293 22 31 0 1 1 8 341.318 4.4e-05 Neutral nitrogen compounds
294 21 29 0 1 0 8 295.242 0.002939 Neutral nitrogen compounds
295 21 29 1 1 0 8 311.242 5.1e-05 Neutral nitrogen compounds
296 21 29 0 1 1 8 327.302 7.8e-05 Neutral nitrogen compounds
297 20 27 0 1 0 8 281.226 0.003848 Neutral nitrogen compounds
298 20 27 1 1 0 8 297.226 8.9e-05 Neutral nitrogen compounds
299 20 27 0 1 1 8 313.286 0.000129 Neutral nitrogen compounds
300 19 25 0 1 0 8 267.21 0.004906 Neutral nitrogen compounds
301 19 25 1 1 0 8 283.21 0.000119 Neutral nitrogen compounds
302 19 25 0 1 1 8 299.27 0.000174 Neutral nitrogen compounds
303 18 23 0 1 0 8 253.194 0.005588 Neutral nitrogen compounds
304 18 23 1 1 0 8 269.194 0.000159 Neutral nitrogen compounds
305 18 23 0 1 1 8 285.254 0.000206 Neutral nitrogen compounds
306 17 21 0 1 0 8 239.178 0.005351 Neutral nitrogen compounds
307 17 21 1 1 0 8 255.178 0.000202 Neutral nitrogen compounds
308 17 21 0 1 1 8 271.238 0.000189 Neutral nitrogen compounds
309 16 19 0 1 0 8 225.162 0.003841 Neutral nitrogen compounds
310 16 19 1 1 0 8 241.162 0.000292 Neutral nitrogen compounds
311 16 19 0 1 1 8 257.222 0.000121 Neutral nitrogen compounds
312 15 17 0 1 0 8 211.146 0.001453 Neutral nitrogen compounds
313 15 17 1 1 0 8 227.146 0.000151 Neutral nitrogen compounds
314 15 17 0 1 1 8 243.206 4.5e-05 Neutral nitrogen compounds
315 14 15 0 1 0 8 197.13 0.000286 Neutral nitrogen compounds
316 14 15 1 1 0 8 213.13 5.1e-05 Neutral nitrogen compounds
317 14 15 0 1 1 8 229.19 2.7e-05 Neutral nitrogen compounds
318 13 13 0 1 0 8 183.114 6e-06 Neutral nitrogen compounds
319 13 13 1 1 0 8 199.114 7e-06 Neutral nitrogen compounds
320 13 13 0 1 1 8 215.174 1.1e-05 Neutral nitrogen compounds
321 12 11 0 1 0 8 169.098 4e-06 Neutral nitrogen compounds
322 29 43 0 1 0 9 405.354 1.6e-05 Neutral nitrogen compounds
323 28 41 0 1 0 9 391.338 2.8e-05 Neutral nitrogen compounds
324 27 39 0 1 0 9 377.322 4.6e-05 Neutral nitrogen compounds
325 26 37 0 1 0 9 363.306 9.5e-05 Neutral nitrogen compounds
326 25 35 0 1 0 9 349.29 0.000192 Neutral nitrogen compounds
327 24 33 0 1 0 9 335.274 0.000419 Neutral nitrogen compounds
328 23 31 0 1 0 9 321.258 0.000632 Neutral nitrogen compounds
329 23 31 0 1 1 9 353.318 1.4e-05 Neutral nitrogen compounds
330 22 29 0 1 0 9 307.242 0.00128 Neutral nitrogen compounds
331 22 29 1 1 0 9 323.242 3.4e-05 Neutral nitrogen compounds
332 22 29 0 1 1 9 339.302 2.1e-05 Neutral nitrogen compounds
333 21 27 0 1 0 9 293.226 0.00192 Neutral nitrogen compounds
334 21 27 1 1 0 9 309.226 5.7e-05 Neutral nitrogen compounds
335 21 27 0 1 1 9 325.286 3.2e-05 Neutral nitrogen compounds
336 20 25 0 1 0 9 279.21 0.00274 Neutral nitrogen compounds
337 20 25 1 1 0 9 295.21 9.1e-05 Neutral nitrogen compounds
338 20 25 0 1 1 9 311.27 6.7e-05 Neutral nitrogen compounds
339 19 23 0 1 0 9 265.194 0.002944 Neutral nitrogen compounds
340 19 23 1 1 0 9 281.194 0.000123 Neutral nitrogen compounds
341 19 23 0 1 1 9 297.254 0.000139 Neutral nitrogen compounds
342 18 21 0 1 0 9 251.178 0.002465 Neutral nitrogen compounds
343 18 21 1 1 0 9 267.178 0.000157 Neutral nitrogen compounds
344 18 21 0 1 1 9 283.238 0.00028 Neutral nitrogen compounds
345 17 19 0 1 0 9 237.162 0.001481 Neutral nitrogen compounds
346 17 19 1 1 0 9 253.162 0.000153 Neutral nitrogen compounds
347 17 19 0 1 1 9 269.222 0.000519 Neutral nitrogen compounds
348 16 17 0 1 0 9 223.146 0.000794 Neutral nitrogen compounds
349 16 17 1 1 0 9 239.146 0.000112 Neutral nitrogen compounds
350 16 17 0 1 1 9 255.206 0.00088 Neutral nitrogen compounds
351 15 15 0 1 0 9 209.13 0.000309 Neutral nitrogen compounds
352 15 15 1 1 0 9 225.13 8.8e-05 Neutral nitrogen compounds
353 15 15 0 1 1 9 241.19 0.001366 Neutral nitrogen compounds
354 14 13 0 1 0 9 195.114 5.7e-05 Neutral nitrogen compounds
355 14 13 1 1 0 9 211.114 3.1e-05 Neutral nitrogen compounds
356 14 13 0 1 1 9 227.174 0.001295 Neutral nitrogen compounds
357 13 11 1 1 0 9 197.098 6e-06 Neutral nitrogen compounds
358 13 11 0 1 1 9 213.158 0.000436 Neutral nitrogen compounds
359 29 41 0 1 0 10 403.338 1.3e-05 Neutral nitrogen compounds
360 28 39 0 1 0 10 389.322 2.4e-05 Neutral nitrogen compounds
361 27 37 0 1 0 10 375.306 3.6e-05 Neutral nitrogen compounds
362 26 35 0 1 0 10 361.29 6e-05 Neutral nitrogen compounds
363 25 33 0 1 0 10 347.274 0.00011 Neutral nitrogen compounds
364 24 31 0 1 0 10 333.258 0.0002 Neutral nitrogen compounds
365 23 29 0 1 0 10 319.242 0.000318 Neutral nitrogen compounds
366 23 29 1 1 0 10 335.242 1.6e-05 Neutral nitrogen compounds
367 23 29 0 1 1 10 351.302 1.4e-05 Neutral nitrogen compounds
368 22 27 0 1 0 10 305.226 0.000529 Neutral nitrogen compounds
369 22 27 1 1 0 10 321.226 2.1e-05 Neutral nitrogen compounds
370 22 27 0 1 1 10 337.286 2e-05 Neutral nitrogen compounds
371 21 25 0 1 0 10 291.21 0.000683 Neutral nitrogen compounds
372 21 25 1 1 0 10 307.21 2.6e-05 Neutral nitrogen compounds
373 21 25 0 1 1 10 323.27 3.1e-05 Neutral nitrogen compounds
374 20 23 0 1 0 10 277.194 0.000781 Neutral nitrogen compounds
375 20 23 1 1 0 10 293.194 3.7e-05 Neutral nitrogen compounds
376 20 23 0 1 1 10 309.254 4.9e-05 Neutral nitrogen compounds
377 19 21 0 1 0 10 263.178 0.00102 Neutral nitrogen compounds
378 19 21 1 1 0 10 279.178 4.6e-05 Neutral nitrogen compounds
379 19 21 0 1 1 10 295.238 7.1e-05 Neutral nitrogen compounds
380 18 19 0 1 0 10 249.162 0.001484 Neutral nitrogen compounds
381 18 19 1 1 0 10 265.162 3.7e-05 Neutral nitrogen compounds
382 18 19 0 1 1 10 281.222 0.000104 Neutral nitrogen compounds
383 17 17 0 1 0 10 235.146 0.002655 Neutral nitrogen compounds
384 17 17 1 1 0 10 251.146 3.8e-05 Neutral nitrogen compounds
385 17 17 0 1 1 10 267.206 9.7e-05 Neutral nitrogen compounds
386 16 15 0 1 0 10 221.13 0.003495 Neutral nitrogen compounds
387 16 15 1 1 0 10 237.13 3.2e-05 Neutral nitrogen compounds
388 16 15 0 1 1 10 253.19 7.1e-05 Neutral nitrogen compounds
389 15 13 0 1 0 10 207.114 0.001488 Neutral nitrogen compounds
390 15 13 1 1 0 10 223.114 2.2e-05 Neutral nitrogen compounds
391 15 13 0 1 1 10 239.174 3.5e-05 Neutral nitrogen compounds
392 14 11 0 1 1 10 225.158 1e-05 Neutral nitrogen compounds
393 27 35 0 1 0 11 373.29 1.4e-05 Neutral nitrogen compounds
394 26 33 0 1 0 11 359.274 2.3e-05 Neutral nitrogen compounds
395 25 31 0 1 0 11 345.258 4.5e-05 Neutral nitrogen compounds
396 24 29 0 1 0 11 331.242 6.4e-05 Neutral nitrogen compounds
397 23 27 0 1 0 11 317.226 0.000102 Neutral nitrogen compounds
398 23 27 1 1 0 11 333.226 2.2e-05 Neutral nitrogen compounds
399 22 25 0 1 0 11 303.21 0.000147 Neutral nitrogen compounds
400 22 25 1 1 0 11 319.21 1.7e-05 Neutral nitrogen compounds
401 21 23 0 1 0 11 289.194 0.000204 Neutral nitrogen compounds
402 21 23 1 1 0 11 305.194 1.3e-05 Neutral nitrogen compounds
403 20 21 0 1 0 11 275.178 0.000348 Neutral nitrogen compounds
404 20 21 1 1 0 11 291.178 1.5e-05 Neutral nitrogen compounds
405 19 19 0 1 0 11 261.162 0.000437 Neutral nitrogen compounds
406 19 19 1 1 0 11 277.162 1.7e-05 Neutral nitrogen compounds
407 18 17 0 1 0 11 247.146 0.000433 Neutral nitrogen compounds
408 18 17 1 1 0 11 263.146 2e-05 Neutral nitrogen compounds
409 17 15 0 1 0 11 233.13 0.000259 Neutral nitrogen compounds
410 17 15 1 1 0 11 249.13 1.2e-05 Neutral nitrogen compounds
411 16 13 0 1 0 11 219.114 8.6e-05 Neutral nitrogen compounds
412 15 11 0 1 0 11 205.098 2e-05 Neutral nitrogen compounds
413 27 33 0 1 0 12 371.274 1.6e-05 Neutral nitrogen compounds
414 26 31 0 1 0 12 357.258 1.7e-05 Neutral nitrogen compounds
415 25 29 0 1 0 12 343.242 2.1e-05 Neutral nitrogen compounds
416 24 27 0 1 0 12 329.226 3.4e-05 Neutral nitrogen compounds
417 23 25 0 1 0 12 315.21 4.4e-05 Neutral nitrogen compounds
418 22 23 0 1 0 12 301.194 6.2e-05 Neutral nitrogen compounds
419 21 21 0 1 0 12 287.178 6.7e-05 Neutral nitrogen compounds
420 20 19 0 1 0 12 273.162 6.8e-05 Neutral nitrogen compounds
421 19 17 0 1 0 12 259.146 8.5e-05 Neutral nitrogen compounds
422 18 15 0 1 0 12 245.13 9.7e-05 Neutral nitrogen compounds
423 18 15 1 1 0 12 261.13 1e-05 Neutral nitrogen compounds
424 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
425 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
426 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
427 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
428 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
429 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
430 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
431 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
432 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
433 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
434 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
435 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
436 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
437 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
438 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
439 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
440 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
441 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
442 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
443 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
444 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
445 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
446 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
447 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
448 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
449 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
450 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
451 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
452 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
453 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
454 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
455 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
456 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
457 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
458 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
459 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
460 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
461 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
462 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
463 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
464 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
465 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
466 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
467 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
468 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
469 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
470 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
471 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
472 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
473 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
474 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
475 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
476 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
477 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
478 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
479 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
480 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
481 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
482 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
483 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
484 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
485 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
486 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
487 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
488 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
489 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
490 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
491 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
492 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
493 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
494 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
495 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
496 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
497 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
498 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
499 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
500 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
501 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
502 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
503 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
504 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
505 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
506 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
507 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
508 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
509 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
510 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
511 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
512 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
513 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
514 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
515 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
516 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
517 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
518 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
519 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
520 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
521 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
522 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
523 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
524 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
525 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
526 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
527 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
528 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
529 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
530 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
531 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
532 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
533 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
534 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
535 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
536 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
537 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
538 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
539 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
540 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
541 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
542 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
543 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
544 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
545 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
546 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
547 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
548 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
549 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
550 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
551 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
552 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
553 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
554 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
555 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
556 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
557 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
558 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
559 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
560 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
561 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
562 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
563 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
564 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
565 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
566 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
567 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
568 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
569 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
570 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
571 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
572 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
573 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
574 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
575 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
576 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
577 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
578 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
579 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
580 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
581 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
582 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
583 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
584 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
585 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
586 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
587 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
588 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
589 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
590 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
591 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
592 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
593 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
594 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
595 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
596 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
597 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
598 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
599 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
600 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
601 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
602 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
603 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
604 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
605 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
606 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
607 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
608 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
609 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
610 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
611 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
612 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
613 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
614 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
615 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
616 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
617 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
618 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
619 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
620 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
621 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
622 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
623 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
624 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
625 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
626 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
627 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
628 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
629 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
630 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
631 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
632 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
633 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
634 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
635 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
636 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
637 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
638 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
639 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
640 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
641 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
642 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
643 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
644 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
645 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
646 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
647 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
648 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
649 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
650 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
651 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
652 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
653 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
654 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
655 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
656 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
657 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
658 0 0 0 0 0 0 0.0 0.0 Neutral nitrogen compounds
659 21 37 1 1 0 4 319.306 1.4e-05 Basic nitrogen compounds
660 20 35 1 1 0 4 305.29 1.8e-05 Basic nitrogen compounds
661 18 31 1 1 0 4 277.258 6.1e-05 Basic nitrogen compounds
662 17 29 1 1 0 4 263.242 1.7e-05 Basic nitrogen compounds
663 15 25 1 1 0 4 235.21 1.1e-05 Basic nitrogen compounds
664 14 23 1 1 0 4 221.194 9e-06 Basic nitrogen compounds
665 24 41 1 1 0 5 359.338 3.7e-05 Basic nitrogen compounds
666 22 37 1 1 0 5 331.306 1.7e-05 Basic nitrogen compounds
667 21 35 1 1 0 5 317.29 1.6e-05 Basic nitrogen compounds
668 20 33 1 1 0 5 303.274 2.3e-05 Basic nitrogen compounds
669 19 31 1 1 0 5 289.258 2.7e-05 Basic nitrogen compounds
670 18 29 1 1 0 5 275.242 3e-05 Basic nitrogen compounds
671 17 27 1 1 0 5 261.226 2.3e-05 Basic nitrogen compounds
672 16 25 1 1 0 5 247.21 1.1e-05 Basic nitrogen compounds
673 15 23 1 1 0 5 233.194 1.8e-05 Basic nitrogen compounds
674 14 21 1 1 0 5 219.178 1.1e-05 Basic nitrogen compounds
675 26 43 0 1 0 6 369.354 2.1e-05 Basic nitrogen compounds
676 25 41 0 1 0 6 355.338 2.4e-05 Basic nitrogen compounds
677 24 39 0 1 0 6 341.322 3.4e-05 Basic nitrogen compounds
678 23 37 0 1 0 6 327.306 5.7e-05 Basic nitrogen compounds
679 23 37 1 1 0 6 343.306 1.4e-05 Basic nitrogen compounds
680 22 35 0 1 0 6 313.29 8e-05 Basic nitrogen compounds
681 21 33 0 1 0 6 299.274 0.000149 Basic nitrogen compounds
682 20 31 0 1 0 6 285.258 0.000257 Basic nitrogen compounds
683 20 31 1 1 0 6 301.258 3e-05 Basic nitrogen compounds
684 19 29 0 1 0 6 271.242 0.000323 Basic nitrogen compounds
685 19 29 1 1 0 6 287.242 4.1e-05 Basic nitrogen compounds
686 18 27 0 1 0 6 257.226 0.000368 Basic nitrogen compounds
687 18 27 1 1 0 6 273.226 3.5e-05 Basic nitrogen compounds
688 17 25 0 1 0 6 243.21 0.000297 Basic nitrogen compounds
689 17 25 1 1 0 6 259.21 3.5e-05 Basic nitrogen compounds
690 16 23 0 1 0 6 229.194 0.000278 Basic nitrogen compounds
691 16 23 1 1 0 6 245.194 2.7e-05 Basic nitrogen compounds
692 15 21 0 1 0 6 215.178 0.000205 Basic nitrogen compounds
693 15 21 1 1 0 6 231.178 2e-05 Basic nitrogen compounds
694 14 19 0 1 0 6 201.162 0.000107 Basic nitrogen compounds
695 14 19 1 1 0 6 217.162 1.6e-05 Basic nitrogen compounds
696 13 17 0 1 0 6 187.146 4.2e-05 Basic nitrogen compounds
697 13 17 1 1 0 6 203.146 9e-06 Basic nitrogen compounds
698 12 15 0 1 0 6 173.13 1.8e-05 Basic nitrogen compounds
699 12 15 1 1 0 6 189.13 7e-06 Basic nitrogen compounds
700 27 43 0 1 0 7 381.354 1.8e-05 Basic nitrogen compounds
701 26 41 0 1 0 7 367.338 2.5e-05 Basic nitrogen compounds
702 25 39 0 1 0 7 353.322 3.2e-05 Basic nitrogen compounds
703 25 39 1 1 0 7 369.322 1.6e-05 Basic nitrogen compounds
704 24 37 0 1 0 7 339.306 4.3e-05 Basic nitrogen compounds
705 24 37 1 1 0 7 355.306 1.4e-05 Basic nitrogen compounds
706 23 35 0 1 0 7 325.29 7.8e-05 Basic nitrogen compounds
707 23 35 1 1 0 7 341.29 1.7e-05 Basic nitrogen compounds
708 22 33 0 1 0 7 311.274 0.000167 Basic nitrogen compounds
709 22 33 1 1 0 7 327.274 1.9e-05 Basic nitrogen compounds
710 21 31 0 1 0 7 297.258 0.000281 Basic nitrogen compounds
711 21 31 1 1 0 7 313.258 2.4e-05 Basic nitrogen compounds
712 20 29 0 1 0 7 283.242 0.000499 Basic nitrogen compounds
713 20 29 1 1 0 7 299.242 4.2e-05 Basic nitrogen compounds
714 19 27 0 1 0 7 269.226 0.000738 Basic nitrogen compounds
715 19 27 1 1 0 7 285.226 5.3e-05 Basic nitrogen compounds
716 18 25 0 1 0 7 255.21 0.00054 Basic nitrogen compounds
717 18 25 1 1 0 7 271.21 5.4e-05 Basic nitrogen compounds
718 17 23 0 1 0 7 241.194 0.000305 Basic nitrogen compounds
719 17 23 1 1 0 7 257.194 5.1e-05 Basic nitrogen compounds
720 16 21 0 1 0 7 227.178 0.000224 Basic nitrogen compounds
721 16 21 1 1 0 7 243.178 4.7e-05 Basic nitrogen compounds
722 15 19 0 1 0 7 213.162 9.7e-05 Basic nitrogen compounds
723 15 19 1 1 0 7 229.162 5.4e-05 Basic nitrogen compounds
724 14 17 0 1 0 7 199.146 1.9e-05 Basic nitrogen compounds
725 14 17 1 1 0 7 215.146 3.9e-05 Basic nitrogen compounds
726 13 15 1 1 0 7 201.13 1.9e-05 Basic nitrogen compounds
727 12 13 1 1 0 7 187.114 9e-06 Basic nitrogen compounds
728 28 43 0 1 0 8 393.354 1.6e-05 Basic nitrogen compounds
729 27 41 0 1 0 8 379.338 1.5e-05 Basic nitrogen compounds
730 26 39 0 1 0 8 365.322 2.4e-05 Basic nitrogen compounds
731 25 37 0 1 0 8 351.306 1.5e-05 Basic nitrogen compounds
732 24 35 0 1 0 8 337.29 3.9e-05 Basic nitrogen compounds
733 23 33 0 1 0 8 323.274 5.6e-05 Basic nitrogen compounds
734 23 33 1 1 0 8 339.274 1.4e-05 Basic nitrogen compounds
735 22 31 0 1 0 8 309.258 9.8e-05 Basic nitrogen compounds
736 22 31 1 1 0 8 325.258 4.6e-05 Basic nitrogen compounds
737 21 29 0 1 0 8 295.242 0.000143 Basic nitrogen compounds
738 21 29 1 1 0 8 311.242 1.8e-05 Basic nitrogen compounds
739 20 27 0 1 0 8 281.226 0.000217 Basic nitrogen compounds
740 20 27 1 1 0 8 297.226 2e-05 Basic nitrogen compounds
741 19 25 0 1 0 8 267.21 0.000288 Basic nitrogen compounds
742 19 25 1 1 0 8 283.21 3e-05 Basic nitrogen compounds
743 18 23 0 1 0 8 253.194 0.000197 Basic nitrogen compounds
744 18 23 1 1 0 8 269.194 3.8e-05 Basic nitrogen compounds
745 17 21 0 1 0 8 239.178 9.5e-05 Basic nitrogen compounds
746 17 21 1 1 0 8 255.178 2.6e-05 Basic nitrogen compounds
747 16 19 0 1 0 8 225.162 3.2e-05 Basic nitrogen compounds
748 16 19 1 1 0 8 241.162 1.5e-05 Basic nitrogen compounds
749 15 17 0 1 0 8 211.146 8e-06 Basic nitrogen compounds
750 15 17 1 1 0 8 227.146 1.6e-05 Basic nitrogen compounds
751 14 15 1 1 0 8 213.13 9e-06 Basic nitrogen compounds
752 29 43 0 1 0 9 405.354 2.5e-05 Basic nitrogen compounds
753 28 41 0 1 0 9 391.338 3.4e-05 Basic nitrogen compounds
754 27 39 0 1 0 9 377.322 4.5e-05 Basic nitrogen compounds
755 26 37 0 1 0 9 363.306 6.8e-05 Basic nitrogen compounds
756 25 35 0 1 0 9 349.29 8.4e-05 Basic nitrogen compounds
757 24 33 0 1 0 9 335.274 0.00012 Basic nitrogen compounds
758 23 31 0 1 0 9 321.258 0.000174 Basic nitrogen compounds
759 23 31 1 1 0 9 337.258 1.6e-05 Basic nitrogen compounds
760 22 29 0 1 0 9 307.242 0.000278 Basic nitrogen compounds
761 22 29 1 1 0 9 323.242 1.5e-05 Basic nitrogen compounds
762 21 27 0 1 0 9 293.226 0.000567 Basic nitrogen compounds
763 20 25 0 1 0 9 279.21 0.001399 Basic nitrogen compounds
764 20 25 1 1 0 9 295.21 1.5e-05 Basic nitrogen compounds
765 19 23 0 1 0 9 265.194 0.003491 Basic nitrogen compounds
766 19 23 1 1 0 9 281.194 1.9e-05 Basic nitrogen compounds
767 18 21 0 1 0 9 251.178 0.005403 Basic nitrogen compounds
768 18 21 1 1 0 9 267.178 2.5e-05 Basic nitrogen compounds
769 17 19 0 1 0 9 237.162 0.00837 Basic nitrogen compounds
770 17 19 1 1 0 9 253.162 2.2e-05 Basic nitrogen compounds
771 16 17 0 1 0 9 223.146 0.014175 Basic nitrogen compounds
772 16 17 1 1 0 9 239.146 1.7e-05 Basic nitrogen compounds
773 15 15 0 1 0 9 209.13 0.009151 Basic nitrogen compounds
774 15 15 1 1 0 9 225.13 1.7e-05 Basic nitrogen compounds
775 14 13 0 1 0 9 195.114 0.002143 Basic nitrogen compounds
776 14 13 1 1 0 9 211.114 8e-06 Basic nitrogen compounds
777 29 41 0 1 0 10 403.338 1.9e-05 Basic nitrogen compounds
778 28 39 0 1 0 10 389.322 2.6e-05 Basic nitrogen compounds
779 27 37 0 1 0 10 375.306 2.4e-05 Basic nitrogen compounds
780 26 35 0 1 0 10 361.29 5.9e-05 Basic nitrogen compounds
781 25 33 0 1 0 10 347.274 6.7e-05 Basic nitrogen compounds
782 24 31 0 1 0 10 333.258 7.5e-05 Basic nitrogen compounds
783 23 29 0 1 0 10 319.242 0.000124 Basic nitrogen compounds
784 23 29 1 1 0 10 335.242 1.7e-05 Basic nitrogen compounds
785 22 27 0 1 0 10 305.226 0.000177 Basic nitrogen compounds
786 21 25 0 1 0 10 291.21 0.000275 Basic nitrogen compounds
787 21 25 1 1 0 10 307.21 1.6e-05 Basic nitrogen compounds
788 20 23 0 1 0 10 277.194 0.000431 Basic nitrogen compounds
789 20 23 1 1 0 10 293.194 1.3e-05 Basic nitrogen compounds
790 19 21 0 1 0 10 263.178 0.000582 Basic nitrogen compounds
791 19 21 1 1 0 10 279.178 1.6e-05 Basic nitrogen compounds
792 18 19 0 1 0 10 249.162 0.000478 Basic nitrogen compounds
793 18 19 1 1 0 10 265.162 1.4e-05 Basic nitrogen compounds
794 17 17 0 1 0 10 235.146 0.000309 Basic nitrogen compounds
795 17 17 1 1 0 10 251.146 1.5e-05 Basic nitrogen compounds
796 16 15 0 1 0 10 221.13 0.000172 Basic nitrogen compounds
797 16 15 1 1 0 10 237.13 2.4e-05 Basic nitrogen compounds
798 15 13 0 1 0 10 207.114 2.8e-05 Basic nitrogen compounds
799 15 13 1 1 0 10 223.114 2.5e-05 Basic nitrogen compounds
800 29 39 0 1 0 11 401.322 1.6e-05 Basic nitrogen compounds
801 28 37 0 1 0 11 387.306 2.2e-05 Basic nitrogen compounds
802 27 35 0 1 0 11 373.29 1.9e-05 Basic nitrogen compounds
803 26 33 0 1 0 11 359.274 3.4e-05 Basic nitrogen compounds
804 25 31 0 1 0 11 345.258 3.9e-05 Basic nitrogen compounds
805 24 29 0 1 0 11 331.242 5.4e-05 Basic nitrogen compounds
806 23 27 0 1 0 11 317.226 5.8e-05 Basic nitrogen compounds
807 22 25 0 1 0 11 303.21 6.9e-05 Basic nitrogen compounds
808 21 23 0 1 0 11 289.194 6e-05 Basic nitrogen compounds
809 20 21 0 1 0 11 275.178 4.3e-05 Basic nitrogen compounds
810 19 19 0 1 0 11 261.162 2.7e-05 Basic nitrogen compounds
811 27 33 0 1 0 12 371.274 2.7e-05 Basic nitrogen compounds
812 26 31 0 1 0 12 357.258 3.5e-05 Basic nitrogen compounds
813 25 29 0 1 0 12 343.242 5.1e-05 Basic nitrogen compounds
814 24 27 0 1 0 12 329.226 5.4e-05 Basic nitrogen compounds
815 23 25 0 1 0 12 315.21 6.9e-05 Basic nitrogen compounds
816 22 23 0 1 0 12 301.194 8.6e-05 Basic nitrogen compounds
817 21 21 0 1 0 12 287.178 0.000122 Basic nitrogen compounds
818 20 19 0 1 0 12 273.162 0.000163 Basic nitrogen compounds
819 19 17 0 1 0 12 259.146 0.000167 Basic nitrogen compounds
820 18 15 0 1 0 12 245.13 0.000103 Basic nitrogen compounds
821 17 13 0 1 0 12 231.114 6.8e-05 Basic nitrogen compounds
822 29 35 0 1 0 13 397.29 1.7e-05 Basic nitrogen compounds
823 28 33 0 1 0 13 383.274 2e-05 Basic nitrogen compounds
824 26 29 0 1 0 13 355.242 3.5e-05 Basic nitrogen compounds
825 25 27 0 1 0 13 341.226 3.8e-05 Basic nitrogen compounds
826 24 25 0 1 0 13 327.21 4.7e-05 Basic nitrogen compounds
827 23 23 0 1 0 13 313.194 5.9e-05 Basic nitrogen compounds
828 22 21 0 1 0 13 299.178 7.1e-05 Basic nitrogen compounds
829 21 19 0 1 0 13 285.162 4.6e-05 Basic nitrogen compounds
830 20 17 0 1 0 13 271.146 2.4e-05 Basic nitrogen compounds
831 19 15 0 1 0 13 257.13 1.3e-05 Basic nitrogen compounds
832 28 31 0 1 0 14 381.258 2.4e-05 Basic nitrogen compounds
833 26 27 0 1 0 14 353.226 2.7e-05 Basic nitrogen compounds
834 25 25 0 1 0 14 339.21 2.2e-05 Basic nitrogen compounds
835 24 23 0 1 0 14 325.194 2.4e-05 Basic nitrogen compounds
836 23 21 0 1 0 14 311.178 1.7e-05 Basic nitrogen compounds
837 22 19 0 1 0 14 297.162 1.7e-05 Basic nitrogen compounds
838 20 15 0 1 0 14 269.13 1.2e-05 Basic nitrogen compounds
839 28 29 0 1 0 15 379.242 3.5e-05 Basic nitrogen compounds
840 25 23 0 1 0 15 337.194 1.5e-05 Basic nitrogen compounds
841 24 21 0 1 0 15 323.178 1.8e-05 Basic nitrogen compounds
842 23 19 0 1 0 15 309.162 2.3e-05 Basic nitrogen compounds
843 22 17 0 1 0 15 295.146 2.9e-05 Basic nitrogen compounds
844 30 31 0 1 0 16 405.258 1.5e-05 Basic nitrogen compounds
845 26 48 0 0 1 3 392.444 0.000104 Thiophenic compounds
846 25 46 0 0 1 3 378.428 0.000208 Thiophenic compounds
847 24 44 0 0 1 3 364.412 0.000314 Thiophenic compounds
848 23 42 0 0 1 3 350.396 0.000688 Thiophenic compounds
849 22 40 0 0 1 3 336.38 0.001161 Thiophenic compounds
850 21 38 0 0 1 3 322.364 0.00196 Thiophenic compounds
851 20 36 0 0 1 3 308.348 0.003104 Thiophenic compounds
852 19 34 0 0 1 3 294.332 0.004033 Thiophenic compounds
853 18 32 0 0 1 3 280.316 0.004403 Thiophenic compounds
854 17 30 0 0 1 3 266.3 0.004217 Thiophenic compounds
855 16 28 0 0 1 3 252.284 0.004175 Thiophenic compounds
856 15 26 0 0 1 3 238.268 0.003024 Thiophenic compounds
857 14 24 0 0 1 3 224.252 0.001818 Thiophenic compounds
858 13 22 0 0 1 3 210.236 0.001067 Thiophenic compounds
859 12 20 0 0 1 3 196.22 0.000411 Thiophenic compounds
860 11 18 0 0 1 3 182.204 4.1e-05 Thiophenic compounds
861 27 48 0 0 1 4 404.444 8.2e-05 Thiophenic compounds
862 26 46 0 0 1 4 390.428 4.7e-05 Thiophenic compounds
863 25 44 0 0 1 4 376.412 0.000139 Thiophenic compounds
864 24 42 0 0 1 4 362.396 0.000535 Thiophenic compounds
865 23 40 0 0 1 4 348.38 0.000971 Thiophenic compounds
866 22 38 0 0 1 4 334.364 0.001301 Thiophenic compounds
867 21 36 0 0 1 4 320.348 0.00217 Thiophenic compounds
868 20 34 0 0 1 4 306.332 0.003549 Thiophenic compounds
869 19 32 0 0 1 4 292.316 0.004372 Thiophenic compounds
870 18 30 0 0 1 4 278.3 0.005373 Thiophenic compounds
871 17 28 0 0 1 4 264.284 0.005262 Thiophenic compounds
872 16 26 0 0 1 4 250.268 0.006042 Thiophenic compounds
873 15 24 0 0 1 4 236.252 0.005738 Thiophenic compounds
874 14 22 0 0 1 4 222.236 0.003071 Thiophenic compounds
875 13 20 0 0 1 4 208.22 0.001399 Thiophenic compounds
876 12 18 0 0 1 4 194.204 0.00092 Thiophenic compounds
877 11 16 0 0 1 4 180.188 0.000214 Thiophenic compounds
878 10 14 0 0 1 4 166.172 1.8e-05 Thiophenic compounds
879 9 12 0 0 1 4 152.156 6e-06 Thiophenic compounds
880 28 48 0 0 1 5 416.444 3.7e-05 Thiophenic compounds
881 27 46 0 0 1 5 402.428 9.7e-05 Thiophenic compounds
882 26 44 0 0 1 5 388.412 9.5e-05 Thiophenic compounds
883 25 42 0 0 1 5 374.396 0.000447 Thiophenic compounds
884 24 40 0 0 1 5 360.38 0.00082 Thiophenic compounds
885 23 38 0 0 1 5 346.364 0.0014 Thiophenic compounds
886 22 36 0 0 1 5 332.348 0.003171 Thiophenic compounds
887 21 34 0 0 1 5 318.332 0.005952 Thiophenic compounds
888 20 32 0 0 1 5 304.316 0.010909 Thiophenic compounds
889 19 30 0 0 1 5 290.3 0.015087 Thiophenic compounds
890 18 28 0 0 1 5 276.284 0.017822 Thiophenic compounds
891 17 26 0 0 1 5 262.268 0.020861 Thiophenic compounds
892 16 24 0 0 1 5 248.252 0.021397 Thiophenic compounds
893 15 22 0 0 1 5 234.236 0.016598 Thiophenic compounds
894 14 20 0 0 1 5 220.22 0.009926 Thiophenic compounds
895 13 18 0 0 1 5 206.204 0.004191 Thiophenic compounds
896 12 16 0 0 1 5 192.188 0.00068 Thiophenic compounds
897 11 14 0 0 1 5 178.172 6.4e-05 Thiophenic compounds
898 9 10 0 0 1 5 150.14 3.8e-05 Thiophenic compounds
899 8 8 0 0 1 5 136.124 2.9e-05 Thiophenic compounds
900 7 6 0 0 1 5 122.108 3.1e-05 Thiophenic compounds
901 29 48 0 0 1 6 428.444 0.000154 Thiophenic compounds
902 28 46 0 0 1 6 414.428 0.000455 Thiophenic compounds
903 27 44 0 0 1 6 400.412 0.000762 Thiophenic compounds
904 26 42 0 0 1 6 386.396 0.000913 Thiophenic compounds
905 25 40 0 0 1 6 372.38 0.001614 Thiophenic compounds
906 24 38 0 0 1 6 358.364 0.003587 Thiophenic compounds
907 23 36 0 0 1 6 344.348 0.007572 Thiophenic compounds
908 22 34 0 0 1 6 330.332 0.020485 Thiophenic compounds
909 21 32 0 0 1 6 316.316 0.050266 Thiophenic compounds
910 20 30 0 0 1 6 302.3 0.111516 Thiophenic compounds
911 19 28 0 0 1 6 288.284 0.210266 Thiophenic compounds
912 18 26 0 0 1 6 274.268 0.344461 Thiophenic compounds
913 17 24 0 0 1 6 260.252 0.495431 Thiophenic compounds
914 16 22 0 0 1 6 246.236 0.645209 Thiophenic compounds
915 15 20 0 0 1 6 232.22 0.742772 Thiophenic compounds
916 14 18 0 0 1 6 218.204 0.680395 Thiophenic compounds
917 13 16 0 0 1 6 204.188 0.520458 Thiophenic compounds
918 12 14 0 0 1 6 190.172 0.367348 Thiophenic compounds
919 11 12 0 0 1 6 176.156 0.167039 Thiophenic compounds
920 10 10 0 0 1 6 162.14 0.02316 Thiophenic compounds
921 9 8 0 0 1 6 148.124 0.002068 Thiophenic compounds
922 8 6 0 0 1 6 134.108 0.000218 Thiophenic compounds
923 29 46 0 0 1 7 426.428 0.000582 Thiophenic compounds
924 28 44 0 0 1 7 412.412 0.000468 Thiophenic compounds
925 27 42 0 0 1 7 398.396 0.000543 Thiophenic compounds
926 26 40 0 0 1 7 384.38 0.000725 Thiophenic compounds
927 25 38 0 0 1 7 370.364 0.001846 Thiophenic compounds
928 24 36 0 0 1 7 356.348 0.002242 Thiophenic compounds
929 23 34 0 0 1 7 342.332 0.004342 Thiophenic compounds
930 22 32 0 0 1 7 328.316 0.010187 Thiophenic compounds
931 21 30 0 0 1 7 314.3 0.021413 Thiophenic compounds
932 20 28 0 0 1 7 300.284 0.042418 Thiophenic compounds
933 19 26 0 0 1 7 286.268 0.070503 Thiophenic compounds
934 18 24 0 0 1 7 272.252 0.110764 Thiophenic compounds
935 17 22 0 0 1 7 258.236 0.144324 Thiophenic compounds
936 16 20 0 0 1 7 244.22 0.164538 Thiophenic compounds
937 15 18 0 0 1 7 230.204 0.148039 Thiophenic compounds
938 14 16 0 0 1 7 216.188 0.075812 Thiophenic compounds
939 13 14 0 0 1 7 202.172 0.023767 Thiophenic compounds
940 12 12 0 0 1 7 188.156 0.004996 Thiophenic compounds
941 11 10 0 0 1 7 174.14 0.003859 Thiophenic compounds
942 10 8 0 0 1 7 160.124 0.005716 Thiophenic compounds
943 9 6 0 0 1 7 146.108 0.002746 Thiophenic compounds
944 29 44 0 0 1 8 424.412 0.000117 Thiophenic compounds
945 28 42 0 0 1 8 410.396 0.000235 Thiophenic compounds
946 27 40 0 0 1 8 396.38 0.000236 Thiophenic compounds
947 26 38 0 0 1 8 382.364 0.000492 Thiophenic compounds
948 25 36 0 0 1 8 368.348 0.000656 Thiophenic compounds
949 24 34 0 0 1 8 354.332 0.001298 Thiophenic compounds
950 23 32 0 0 1 8 340.316 0.002138 Thiophenic compounds
951 22 30 0 0 1 8 326.3 0.003779 Thiophenic compounds
952 21 28 0 0 1 8 312.284 0.008005 Thiophenic compounds
953 20 26 0 0 1 8 298.268 0.01569 Thiophenic compounds
954 19 24 0 0 1 8 284.252 0.024524 Thiophenic compounds
955 18 22 0 0 1 8 270.236 0.035355 Thiophenic compounds
956 17 20 0 0 1 8 256.22 0.036668 Thiophenic compounds
957 16 18 0 0 1 8 242.204 0.027739 Thiophenic compounds
958 15 16 0 0 1 8 228.188 0.014558 Thiophenic compounds
959 14 14 0 0 1 8 214.172 0.003391 Thiophenic compounds
960 13 12 0 0 1 8 200.156 0.000879 Thiophenic compounds
961 12 10 0 0 1 8 186.14 0.000287 Thiophenic compounds
962 11 8 0 0 1 8 172.124 0.000125 Thiophenic compounds
963 10 6 0 0 1 8 158.108 2.8e-05 Thiophenic compounds
964 29 42 0 0 1 9 422.396 0.000312 Thiophenic compounds
965 28 40 0 0 1 9 408.38 0.000635 Thiophenic compounds
966 27 38 0 0 1 9 394.364 0.000888 Thiophenic compounds
967 26 36 0 0 1 9 380.348 0.001254 Thiophenic compounds
968 25 34 0 0 1 9 366.332 0.001912 Thiophenic compounds
969 24 32 0 0 1 9 352.316 0.003065 Thiophenic compounds
970 23 30 0 0 1 9 338.3 0.004018 Thiophenic compounds
971 22 28 0 0 1 9 324.284 0.00413 Thiophenic compounds
972 21 26 0 0 1 9 310.268 0.007403 Thiophenic compounds
973 20 24 0 0 1 9 296.252 0.016307 Thiophenic compounds
974 19 22 0 0 1 9 282.236 0.037862 Thiophenic compounds
975 18 20 0 0 1 9 268.22 0.099387 Thiophenic compounds
976 17 18 0 0 1 9 254.204 0.222545 Thiophenic compounds
977 16 16 0 0 1 9 240.188 0.431304 Thiophenic compounds
978 15 14 0 0 1 9 226.172 0.774512 Thiophenic compounds
979 14 12 0 0 1 9 212.156 0.90738 Thiophenic compounds
980 13 10 0 0 1 9 198.14 0.470853 Thiophenic compounds
981 12 8 0 0 1 9 184.124 0.080261 Thiophenic compounds
982 11 6 0 0 1 9 170.108 0.000151 Thiophenic compounds
983 29 40 0 0 1 10 420.38 0.00103 Thiophenic compounds
984 28 38 0 0 1 10 406.364 0.001081 Thiophenic compounds
985 27 36 0 0 1 10 392.348 0.001076 Thiophenic compounds
986 26 34 0 0 1 10 378.332 0.001391 Thiophenic compounds
987 25 32 0 0 1 10 364.316 0.001521 Thiophenic compounds
988 24 30 0 0 1 10 350.3 0.002119 Thiophenic compounds
989 23 28 0 0 1 10 336.284 0.002651 Thiophenic compounds
990 22 26 0 0 1 10 322.268 0.00404 Thiophenic compounds
991 21 24 0 0 1 10 308.252 0.005857 Thiophenic compounds
992 20 22 0 0 1 10 294.236 0.007632 Thiophenic compounds
993 19 20 0 0 1 10 280.22 0.012702 Thiophenic compounds
994 18 18 0 0 1 10 266.204 0.01859 Thiophenic compounds
995 17 16 0 0 1 10 252.188 0.021581 Thiophenic compounds
996 16 14 0 0 1 10 238.172 0.014789 Thiophenic compounds
997 15 12 0 0 1 10 224.156 0.005137 Thiophenic compounds
998 14 10 0 0 1 10 210.14 0.001407 Thiophenic compounds
999 13 8 0 0 1 10 196.124 0.002131 Thiophenic compounds
1000 12 6 0 0 1 10 182.108 0.002066 Thiophenic compounds
1001 29 38 0 0 1 11 418.364 0.001288 Thiophenic compounds
1002 28 36 0 0 1 11 404.348 0.000781 Thiophenic compounds
1003 27 34 0 0 1 11 390.332 0.000824 Thiophenic compounds
1004 26 32 0 0 1 11 376.316 0.000514 Thiophenic compounds
1005 25 30 0 0 1 11 362.3 0.00054 Thiophenic compounds
1006 24 28 0 0 1 11 348.284 0.000366 Thiophenic compounds
1007 23 26 0 0 1 11 334.268 0.0006 Thiophenic compounds
1008 22 24 0 0 1 11 320.252 0.000543 Thiophenic compounds
1009 21 22 0 0 1 11 306.236 0.000746 Thiophenic compounds
1010 20 20 0 0 1 11 292.22 0.000938 Thiophenic compounds
1011 19 18 0 0 1 11 278.204 0.001864 Thiophenic compounds
1012 18 16 0 0 1 11 264.188 0.002357 Thiophenic compounds
1013 17 14 0 0 1 11 250.172 0.003122 Thiophenic compounds
1014 16 12 0 0 1 11 236.156 0.00339 Thiophenic compounds
1015 15 10 0 0 1 11 222.14 0.001591 Thiophenic compounds
1016 14 8 0 0 1 11 208.124 0.000193 Thiophenic compounds
1017 13 6 0 0 1 11 194.108 6e-05 Thiophenic compounds
1018 29 36 0 0 1 12 416.348 0.002026 Thiophenic compounds
1019 28 34 0 0 1 12 402.332 0.001289 Thiophenic compounds
1020 27 32 0 0 1 12 388.316 0.000995 Thiophenic compounds
1021 26 30 0 0 1 12 374.3 0.000604 Thiophenic compounds
1022 25 28 0 0 1 12 360.284 0.000316 Thiophenic compounds
1023 24 26 0 0 1 12 346.268 0.000262 Thiophenic compounds
1024 23 24 0 0 1 12 332.252 0.000199 Thiophenic compounds
1025 22 22 0 0 1 12 318.236 0.00017 Thiophenic compounds
1026 21 20 0 0 1 12 304.22 0.000293 Thiophenic compounds
1027 20 18 0 0 1 12 290.204 0.000472 Thiophenic compounds
1028 19 16 0 0 1 12 276.188 0.00055 Thiophenic compounds
1029 18 14 0 0 1 12 262.172 0.000369 Thiophenic compounds
1030 17 12 0 0 1 12 248.156 0.000517 Thiophenic compounds
1031 16 10 0 0 1 12 234.14 0.000358 Thiophenic compounds
1032 26 28 0 0 1 13 372.284 0.000171 Thiophenic compounds
1033 25 26 0 0 1 13 358.268 9.7e-05 Thiophenic compounds
1034 24 24 0 0 1 13 344.252 4.1e-05 Thiophenic compounds
1035 23 22 0 0 1 13 330.236 1.8e-05 Thiophenic compounds
1036 22 20 0 0 1 13 316.22 4e-05 Thiophenic compounds
1037 21 18 0 0 1 13 302.204 5.1e-05 Thiophenic compounds
1038 20 16 0 0 1 13 288.188 3.8e-05 Thiophenic compounds
1039 26 26 0 0 1 14 370.268 1.2e-05 Thiophenic compounds
1040 25 24 0 0 1 14 356.252 1e-05 Thiophenic compounds
1041 21 16 0 0 1 14 300.188 2.2e-05 Thiophenic compounds
1042 20 14 0 0 1 14 286.172 9e-06 Thiophenic compounds
1043 19 12 0 0 1 14 272.156 1e-05 Thiophenic compounds
1044 22 16 0 0 1 15 312.188 9e-06 Thiophenic compounds
1045 20 12 0 0 1 15 284.156 9e-06 Thiophenic compounds
1046 25 20 0 0 1 16 352.22 1.7e-05 Thiophenic compounds
1047 24 18 0 0 1 16 338.204 1.9e-05 Thiophenic compounds
1048 26 20 0 0 1 17 364.22 2.5e-05 Thiophenic compounds
1049 24 16 0 0 1 17 336.188 1e-05 Thiophenic compounds
1050 29 58 0 0 1 1 438.524 1.9e-05 Sulfidic compounds
1051 28 56 0 0 1 1 424.508 2.6e-05 Sulfidic compounds
1052 27 54 0 0 1 1 410.492 0.000114 Sulfidic compounds
1053 26 52 0 0 1 1 396.476 0.000349 Sulfidic compounds
1054 25 50 0 0 1 1 382.46 0.001669 Sulfidic compounds
1055 24 48 0 0 1 1 368.444 0.00408 Sulfidic compounds
1056 23 46 0 0 1 1 354.428 0.012931 Sulfidic compounds
1057 22 44 0 0 1 1 340.412 0.030673 Sulfidic compounds
1058 21 42 0 0 1 1 326.396 0.069594 Sulfidic compounds
1059 20 40 0 0 1 1 312.38 0.137695 Sulfidic compounds
1060 19 38 0 0 1 1 298.364 0.183937 Sulfidic compounds
1061 18 36 0 0 1 1 284.348 0.216705 Sulfidic compounds
1062 17 34 0 0 1 1 270.332 0.196012 Sulfidic compounds
1063 16 32 0 0 1 1 256.316 0.131962 Sulfidic compounds
1064 15 30 0 0 1 1 242.3 0.062651 Sulfidic compounds
1065 14 28 0 0 1 1 228.284 0.016928 Sulfidic compounds
1066 13 26 0 0 1 1 214.268 0.001587 Sulfidic compounds
1067 12 24 0 0 1 1 200.252 0.000148 Sulfidic compounds
1068 11 22 0 0 1 1 186.236 4.2e-05 Sulfidic compounds
1069 10 20 0 0 1 1 172.22 1.1e-05 Sulfidic compounds
1070 30 58 0 0 1 2 450.524 1.8e-05 Sulfidic compounds
1071 29 56 0 0 1 2 436.508 9e-06 Sulfidic compounds
1072 28 54 0 0 1 2 422.492 7e-05 Sulfidic compounds
1073 27 52 0 0 1 2 408.476 0.000162 Sulfidic compounds
1074 26 50 0 0 1 2 394.46 0.000492 Sulfidic compounds
1075 25 48 0 0 1 2 380.444 0.001997 Sulfidic compounds
1076 24 46 0 0 1 2 366.428 0.005891 Sulfidic compounds
1077 23 44 0 0 1 2 352.412 0.015754 Sulfidic compounds
1078 22 42 0 0 1 2 338.396 0.036383 Sulfidic compounds
1079 21 40 0 0 1 2 324.38 0.07275 Sulfidic compounds
1080 20 38 0 0 1 2 310.364 0.119428 Sulfidic compounds
1081 19 36 0 0 1 2 296.348 0.146645 Sulfidic compounds
1082 18 34 0 0 1 2 282.332 0.151968 Sulfidic compounds
1083 17 32 0 0 1 2 268.316 0.114738 Sulfidic compounds
1084 16 30 0 0 1 2 254.3 0.071835 Sulfidic compounds
1085 15 28 0 0 1 2 240.284 0.033989 Sulfidic compounds
1086 14 26 0 0 1 2 226.268 0.010241 Sulfidic compounds
1087 13 24 0 0 1 2 212.252 0.002627 Sulfidic compounds
1088 12 22 0 0 1 2 198.236 0.000204 Sulfidic compounds
1089 11 20 0 0 1 2 184.22 0.000107 Sulfidic compounds
1090 10 18 0 0 1 2 170.204 1.4e-05 Sulfidic compounds
1091 31 58 0 0 1 3 462.524 1.3e-05 Sulfidic compounds
1092 30 56 0 0 1 3 448.508 1.1e-05 Sulfidic compounds
1093 29 54 0 0 1 3 434.492 9.6e-05 Sulfidic compounds
1094 28 52 0 0 1 3 420.476 3.3e-05 Sulfidic compounds
1095 27 50 0 0 1 3 406.46 0.000243 Sulfidic compounds
1096 26 48 0 0 1 3 392.444 0.000796 Sulfidic compounds
1097 25 46 0 0 1 3 378.428 0.002666 Sulfidic compounds
1098 24 44 0 0 1 3 364.412 0.009124 Sulfidic compounds
1099 23 42 0 0 1 3 350.396 0.022383 Sulfidic compounds
1100 22 40 0 0 1 3 336.38 0.051483 Sulfidic compounds
1101 21 38 0 0 1 3 322.364 0.098427 Sulfidic compounds
1102 20 36 0 0 1 3 308.348 0.151514 Sulfidic compounds
1103 19 34 0 0 1 3 294.332 0.184262 Sulfidic compounds
1104 18 32 0 0 1 3 280.316 0.195546 Sulfidic compounds
1105 17 30 0 0 1 3 266.3 0.146891 Sulfidic compounds
1106 16 28 0 0 1 3 252.284 0.099975 Sulfidic compounds
1107 15 26 0 0 1 3 238.268 0.047211 Sulfidic compounds
1108 14 24 0 0 1 3 224.252 0.016021 Sulfidic compounds
1109 13 22 0 0 1 3 210.236 0.00431 Sulfidic compounds
1110 12 20 0 0 1 3 196.22 0.00026 Sulfidic compounds
1111 11 18 0 0 1 3 182.204 5e-05 Sulfidic compounds
1112 10 16 0 0 1 3 168.188 6e-06 Sulfidic compounds
1113 8 12 0 0 1 3 140.156 2e-06 Sulfidic compounds
1114 30 54 0 0 1 4 446.492 3.8e-05 Sulfidic compounds
1115 29 52 0 0 1 4 432.476 3.6e-05 Sulfidic compounds
1116 28 50 0 0 1 4 418.46 6.1e-05 Sulfidic compounds
1117 27 48 0 0 1 4 404.444 0.000291 Sulfidic compounds
1118 26 46 0 0 1 4 390.428 0.000804 Sulfidic compounds
1119 25 44 0 0 1 4 376.412 0.002017 Sulfidic compounds
1120 24 42 0 0 1 4 362.396 0.007101 Sulfidic compounds
1121 23 40 0 0 1 4 348.38 0.017616 Sulfidic compounds
1122 22 38 0 0 1 4 334.364 0.039924 Sulfidic compounds
1123 21 36 0 0 1 4 320.348 0.073442 Sulfidic compounds
1124 20 34 0 0 1 4 306.332 0.110105 Sulfidic compounds
1125 19 32 0 0 1 4 292.316 0.13261 Sulfidic compounds
1126 18 30 0 0 1 4 278.3 0.135498 Sulfidic compounds
1127 17 28 0 0 1 4 264.284 0.101771 Sulfidic compounds
1128 16 26 0 0 1 4 250.268 0.063269 Sulfidic compounds
1129 15 24 0 0 1 4 236.252 0.026535 Sulfidic compounds
1130 14 22 0 0 1 4 222.236 0.007865 Sulfidic compounds
1131 13 20 0 0 1 4 208.22 0.001488 Sulfidic compounds
1132 12 18 0 0 1 4 194.204 0.000234 Sulfidic compounds
1133 11 16 0 0 1 4 180.188 0.000106 Sulfidic compounds
1134 10 14 0 0 1 4 166.172 2e-06 Sulfidic compounds
1135 31 54 0 0 1 5 458.492 1.6e-05 Sulfidic compounds
1136 30 52 0 0 1 5 444.476 2e-05 Sulfidic compounds
1137 29 50 0 0 1 5 430.46 3.2e-05 Sulfidic compounds
1138 28 48 0 0 1 5 416.444 4.7e-05 Sulfidic compounds
1139 27 46 0 0 1 5 402.428 0.0002 Sulfidic compounds
1140 26 44 0 0 1 5 388.412 0.000432 Sulfidic compounds
1141 25 42 0 0 1 5 374.396 0.001257 Sulfidic compounds
1142 24 40 0 0 1 5 360.38 0.004427 Sulfidic compounds
1143 23 38 0 0 1 5 346.364 0.012721 Sulfidic compounds
1144 22 36 0 0 1 5 332.348 0.030272 Sulfidic compounds
1145 21 34 0 0 1 5 318.332 0.060922 Sulfidic compounds
1146 20 32 0 0 1 5 304.316 0.101908 Sulfidic compounds
1147 19 30 0 0 1 5 290.3 0.142043 Sulfidic compounds
1148 18 28 0 0 1 5 276.284 0.163861 Sulfidic compounds
1149 17 26 0 0 1 5 262.268 0.148451 Sulfidic compounds
1150 16 24 0 0 1 5 248.252 0.100548 Sulfidic compounds
1151 15 22 0 0 1 5 234.236 0.045647 Sulfidic compounds
1152 14 20 0 0 1 5 220.22 0.013101 Sulfidic compounds
1153 13 18 0 0 1 5 206.204 0.001608 Sulfidic compounds
1154 12 16 0 0 1 5 192.188 0.0002 Sulfidic compounds
1155 11 14 0 0 1 5 178.172 9.3e-05 Sulfidic compounds
1156 10 12 0 0 1 5 164.156 8.3e-05 Sulfidic compounds
1157 9 10 0 0 1 5 150.14 1.6e-05 Sulfidic compounds
1158 8 8 0 0 1 5 136.124 1.8e-05 Sulfidic compounds
1159 31 52 0 0 1 6 456.476 4e-06 Sulfidic compounds
1160 29 48 0 0 1 6 428.444 1.2e-05 Sulfidic compounds
1161 28 46 0 0 1 6 414.428 7e-06 Sulfidic compounds
1162 27 44 0 0 1 6 400.412 0.000101 Sulfidic compounds
1163 26 42 0 0 1 6 386.396 0.000286 Sulfidic compounds
1164 25 40 0 0 1 6 372.38 0.000575 Sulfidic compounds
1165 24 38 0 0 1 6 358.364 0.001857 Sulfidic compounds
1166 23 36 0 0 1 6 344.348 0.005492 Sulfidic compounds
1167 22 34 0 0 1 6 330.332 0.015068 Sulfidic compounds
1168 21 32 0 0 1 6 316.316 0.028717 Sulfidic compounds
1169 20 30 0 0 1 6 302.3 0.051007 Sulfidic compounds
1170 20 30 0 0 2 6 334.36 2e-05 Sulfidic compounds
1171 19 28 0 0 1 6 288.284 0.076314 Sulfidic compounds
1172 19 28 0 0 2 6 320.344 2.4e-05 Sulfidic compounds
1173 18 26 0 0 1 6 274.268 0.100379 Sulfidic compounds
1174 18 26 0 0 2 6 306.328 1.3e-05 Sulfidic compounds
1175 17 24 0 0 1 6 260.252 0.113366 Sulfidic compounds
1176 17 24 0 0 2 6 292.312 3e-06 Sulfidic compounds
1177 16 22 0 0 1 6 246.236 0.092312 Sulfidic compounds
1178 16 22 0 0 2 6 278.296 1e-05 Sulfidic compounds
1179 15 20 0 0 1 6 232.22 0.044903 Sulfidic compounds
1180 14 18 0 0 1 6 218.204 0.010291 Sulfidic compounds
1181 13 16 0 0 1 6 204.188 0.000619 Sulfidic compounds
1182 12 14 0 0 1 6 190.172 6.6e-05 Sulfidic compounds
1183 11 12 0 0 1 6 176.156 2.2e-05 Sulfidic compounds
1184 10 10 0 0 1 6 162.14 1.3e-05 Sulfidic compounds
1185 9 8 0 0 1 6 148.124 5e-06 Sulfidic compounds
1186 29 46 0 0 1 7 426.428 1.2e-05 Sulfidic compounds
1187 28 44 0 0 1 7 412.412 5e-06 Sulfidic compounds
1188 27 42 0 0 1 7 398.396 2.2e-05 Sulfidic compounds
1189 26 40 0 0 1 7 384.38 0.0001 Sulfidic compounds
1190 25 38 0 0 1 7 370.364 0.000371 Sulfidic compounds
1191 24 36 0 0 1 7 356.348 0.000891 Sulfidic compounds
1192 23 34 0 0 1 7 342.332 0.002557 Sulfidic compounds
1193 23 34 0 0 2 7 374.392 4e-06 Sulfidic compounds
1194 22 32 0 0 1 7 328.316 0.00696 Sulfidic compounds
1195 21 30 0 0 1 7 314.3 0.015592 Sulfidic compounds
1196 21 30 0 0 2 7 346.36 1.1e-05 Sulfidic compounds
1197 20 28 0 0 1 7 300.284 0.028073 Sulfidic compounds
1198 20 28 0 0 2 7 332.344 1.6e-05 Sulfidic compounds
1199 19 26 0 0 1 7 286.268 0.039585 Sulfidic compounds
1200 19 26 0 0 2 7 318.328 0.000108 Sulfidic compounds
1201 18 24 0 0 1 7 272.252 0.000777 Sulfidic compounds
1202 18 24 0 0 2 7 304.312 0.000196 Sulfidic compounds
1203 17 22 0 0 1 7 258.236 0.000682 Sulfidic compounds
1204 17 22 0 0 2 7 290.296 0.000373 Sulfidic compounds
1205 16 20 0 0 1 7 244.22 0.017277 Sulfidic compounds
1206 16 20 0 0 2 7 276.28 0.000537 Sulfidic compounds
1207 15 18 0 0 1 7 230.204 0.00345 Sulfidic compounds
1208 15 18 0 0 2 7 262.264 0.000534 Sulfidic compounds
1209 14 16 0 0 1 7 216.188 6e-06 Sulfidic compounds
1210 14 16 0 0 2 7 248.248 0.000287 Sulfidic compounds
1211 13 14 0 0 1 7 202.172 1.8e-05 Sulfidic compounds
1212 13 14 0 0 2 7 234.232 0.000107 Sulfidic compounds
1213 12 12 0 0 1 7 188.156 7e-06 Sulfidic compounds
1214 11 10 0 0 1 7 174.14 5e-06 Sulfidic compounds
1215 10 8 0 0 1 7 160.124 1.2e-05 Sulfidic compounds
1216 28 42 0 0 1 8 410.396 8e-06 Sulfidic compounds
1217 27 40 0 0 1 8 396.38 1.1e-05 Sulfidic compounds
1218 26 38 0 0 1 8 382.364 5.7e-05 Sulfidic compounds
1219 25 36 0 0 1 8 368.348 0.000115 Sulfidic compounds
1220 24 34 0 0 1 8 354.332 0.000409 Sulfidic compounds
1221 24 34 0 0 2 8 386.392 5e-06 Sulfidic compounds
1222 23 32 0 0 1 8 340.316 0.001024 Sulfidic compounds
1223 22 30 0 0 1 8 326.3 0.002168 Sulfidic compounds
1224 22 30 0 0 2 8 358.36 3.8e-05 Sulfidic compounds
1225 21 28 0 0 1 8 312.284 0.0044 Sulfidic compounds
1226 20 26 0 0 1 8 298.268 0.006657 Sulfidic compounds
1227 20 26 0 0 2 8 330.328 4e-06 Sulfidic compounds
1228 19 24 0 0 1 8 284.252 0.007716 Sulfidic compounds
1229 18 22 0 0 1 8 270.236 0.000129 Sulfidic compounds
1230 18 22 0 0 2 8 302.296 1.4e-05 Sulfidic compounds
1231 17 20 0 0 1 8 256.22 0.003089 Sulfidic compounds
1232 17 20 0 0 2 8 288.28 3.5e-05 Sulfidic compounds
1233 16 18 0 0 1 8 242.204 0.000699 Sulfidic compounds
1234 16 18 0 0 2 8 274.264 2.5e-05 Sulfidic compounds
1235 15 16 0 0 1 8 228.188 0.000264 Sulfidic compounds
1236 15 16 0 0 2 8 260.248 2.4e-05 Sulfidic compounds
1237 14 14 0 0 1 8 214.172 4.7e-05 Sulfidic compounds
1238 12 10 0 0 1 8 186.14 5e-06 Sulfidic compounds
1239 11 8 0 0 1 8 172.124 1.3e-05 Sulfidic compounds
1240 27 38 0 0 1 9 394.364 4e-06 Sulfidic compounds
1241 25 34 0 0 1 9 366.332 6.6e-05 Sulfidic compounds
1242 24 32 0 0 1 9 352.316 5.2e-05 Sulfidic compounds
1243 23 30 0 0 1 9 338.3 0.00014 Sulfidic compounds
1244 22 28 0 0 1 9 324.284 0.000295 Sulfidic compounds
1245 21 26 0 0 1 9 310.268 0.00046 Sulfidic compounds
1246 21 26 0 0 2 9 342.328 4e-06 Sulfidic compounds
1247 20 24 0 0 1 9 296.252 0.000632 Sulfidic compounds
1248 19 22 0 0 1 9 282.236 0.000698 Sulfidic compounds
1249 18 20 0 0 1 9 268.22 0.000884 Sulfidic compounds
1250 17 18 0 0 1 9 254.204 0.001081 Sulfidic compounds
1251 16 16 0 0 1 9 240.188 0.000769 Sulfidic compounds
1252 16 16 0 0 2 9 272.248 1e-05 Sulfidic compounds
1253 15 14 0 0 1 9 226.172 0.000544 Sulfidic compounds
1254 14 12 0 0 1 9 212.156 0.000221 Sulfidic compounds
1255 13 10 0 0 1 9 198.14 3.2e-05 Sulfidic compounds
1256 12 8 0 0 1 9 184.124 1.5e-05 Sulfidic compounds
1257 33 48 0 0 1 10 476.444 5e-06 Sulfidic compounds
1258 28 38 0 0 1 10 406.364 2.2e-05 Sulfidic compounds
1259 26 34 0 0 1 10 378.332 9e-06 Sulfidic compounds
1260 25 32 0 0 1 10 364.316 4e-06 Sulfidic compounds
1261 24 30 0 0 1 10 350.3 8e-06 Sulfidic compounds
1262 23 28 0 0 1 10 336.284 3.5e-05 Sulfidic compounds
1263 22 26 0 0 1 10 322.268 0.000134 Sulfidic compounds
1264 21 24 0 0 1 10 308.252 0.000323 Sulfidic compounds
1265 20 22 0 0 1 10 294.236 0.000402 Sulfidic compounds
1266 19 20 0 0 1 10 280.22 0.00051 Sulfidic compounds
1267 18 18 0 0 1 10 266.204 0.00049 Sulfidic compounds
1268 17 16 0 0 1 10 252.188 0.000393 Sulfidic compounds
1269 16 14 0 0 1 10 238.172 0.000193 Sulfidic compounds
1270 15 12 0 0 1 10 224.156 0.000102 Sulfidic compounds
1271 14 10 0 0 1 10 210.14 4.4e-05 Sulfidic compounds
1272 13 8 0 0 1 10 196.124 2.3e-05 Sulfidic compounds
1273 27 34 0 0 1 11 390.332 1.1e-05 Sulfidic compounds
1274 22 24 0 0 1 11 320.252 2e-05 Sulfidic compounds
1275 21 22 0 0 1 11 306.236 3.6e-05 Sulfidic compounds
1276 20 20 0 0 1 11 292.22 5.7e-05 Sulfidic compounds
1277 19 18 0 0 1 11 278.204 0.000156 Sulfidic compounds
1278 18 16 0 0 1 11 264.188 0.000169 Sulfidic compounds
1279 17 14 0 0 1 11 250.172 0.000138 Sulfidic compounds
1280 16 12 0 0 1 11 236.156 7e-06 Sulfidic compounds
1281 15 10 0 0 1 11 222.14 2e-06 Sulfidic compounds
1282 32 42 0 0 1 12 458.396 5e-06 Sulfidic compounds
1283 27 32 0 0 1 12 388.316 9e-06 Sulfidic compounds
1284 23 24 0 0 1 12 332.252 1.1e-05 Sulfidic compounds
1285 20 18 0 0 1 12 290.204 6e-06 Sulfidic compounds
1286 19 16 0 0 1 12 276.188 3e-06 Sulfidic compounds
1287 16 10 0 0 1 12 234.14 6e-06 Sulfidic compounds
1288 22 46 1 0 0 0 326.368 3.6e-05 Acidic fraction
1289 22 46 2 0 0 0 342.368 4.6e-05 Acidic fraction
1290 21 44 2 0 0 0 328.352 4.1e-05 Acidic fraction
1291 20 42 2 0 0 0 314.336 5.9e-05 Acidic fraction
1292 19 40 2 0 0 0 300.32 4e-05 Acidic fraction
1293 18 38 2 0 0 0 286.304 8e-05 Acidic fraction
1294 17 36 2 0 0 0 272.288 3.5e-05 Acidic fraction
1295 16 34 2 0 0 0 258.272 4.6e-05 Acidic fraction
1296 26 52 1 0 0 1 380.416 4.2e-05 Acidic fraction
1297 26 52 2 0 0 1 396.416 0.000522 Acidic fraction
1298 25 50 2 0 0 1 382.4 0.000751 Acidic fraction
1299 24 48 1 0 0 1 352.384 3e-05 Acidic fraction
1300 24 48 2 0 0 1 368.384 0.00182 Acidic fraction
1301 23 46 1 0 0 1 338.368 3.1e-05 Acidic fraction
1302 23 46 2 0 0 1 354.368 0.001535 Acidic fraction
1303 22 44 1 0 0 1 324.352 3.9e-05 Acidic fraction
1304 22 44 2 0 0 1 340.352 0.003171 Acidic fraction
1305 21 42 1 0 0 1 310.336 4.6e-05 Acidic fraction
1306 21 42 2 0 0 1 326.336 0.004733 Acidic fraction
1307 20 40 1 0 0 1 296.32 4.5e-05 Acidic fraction
1308 20 40 2 0 0 1 312.32 0.008496 Acidic fraction
1309 19 38 1 0 0 1 282.304 6.7e-05 Acidic fraction
1310 19 38 2 0 0 1 298.304 0.008039 Acidic fraction
1311 18 36 1 0 0 1 268.288 0.000116 Acidic fraction
1312 18 36 2 0 0 1 284.288 0.082599 Acidic fraction
1313 17 34 1 0 0 1 254.272 6.5e-05 Acidic fraction
1314 17 34 2 0 0 1 270.272 0.009656 Acidic fraction
1315 16 32 1 0 0 1 240.256 7.1e-05 Acidic fraction
1316 16 32 2 0 0 1 256.256 0.110695 Acidic fraction
1317 15 30 1 0 0 1 226.24 7.7e-05 Acidic fraction
1318 15 30 2 0 0 1 242.24 0.006704 Acidic fraction
1319 14 28 1 0 0 1 212.224 4.1e-05 Acidic fraction
1320 14 28 2 0 0 1 228.224 0.006698 Acidic fraction
1321 13 26 1 0 0 1 198.208 2.6e-05 Acidic fraction
1322 13 26 2 0 0 1 214.208 0.001203 Acidic fraction
1323 12 24 1 0 0 1 184.192 1.8e-05 Acidic fraction
1324 12 24 2 0 0 1 200.192 0.00091 Acidic fraction
1325 11 22 2 0 0 1 186.176 0.000255 Acidic fraction
1326 10 20 2 0 0 1 172.16 0.000178 Acidic fraction
1327 9 18 2 0 0 1 158.144 0.000202 Acidic fraction
1328 8 16 2 0 0 1 144.128 1e-05 Acidic fraction
1329 27 52 2 0 0 2 408.416 6.6e-05 Acidic fraction
1330 26 50 2 0 0 2 394.4 0.000113 Acidic fraction
1331 25 48 1 0 0 2 364.384 2.9e-05 Acidic fraction
1332 25 48 2 0 0 2 380.384 0.000222 Acidic fraction
1333 24 46 2 0 0 2 366.368 0.000588 Acidic fraction
1334 23 44 2 0 0 2 352.352 0.001848 Acidic fraction
1335 22 42 2 0 0 2 338.336 0.005035 Acidic fraction
1336 21 40 2 0 0 2 324.32 0.01196 Acidic fraction
1337 20 38 1 0 0 2 294.304 3.6e-05 Acidic fraction
1338 20 38 2 0 0 2 310.304 0.024558 Acidic fraction
1339 19 36 1 0 0 2 280.288 3.1e-05 Acidic fraction
1340 19 36 2 0 0 2 296.288 0.034207 Acidic fraction
1341 18 34 1 0 0 2 266.272 4.8e-05 Acidic fraction
1342 18 34 2 0 0 2 282.272 0.051588 Acidic fraction
1343 17 32 1 0 0 2 252.256 2.7e-05 Acidic fraction
1344 17 32 2 0 0 2 268.256 0.041643 Acidic fraction
1345 16 30 1 0 0 2 238.24 2.6e-05 Acidic fraction
1346 16 30 2 0 0 2 254.24 0.029449 Acidic fraction
1347 15 28 1 0 0 2 224.224 2.6e-05 Acidic fraction
1348 15 28 2 0 0 2 240.224 0.016494 Acidic fraction
1349 14 26 1 0 0 2 210.208 1.9e-05 Acidic fraction
1350 14 26 2 0 0 2 226.208 0.011722 Acidic fraction
1351 13 24 2 0 0 2 212.192 0.005289 Acidic fraction
1352 12 22 2 0 0 2 198.176 0.001738 Acidic fraction
1353 11 20 2 0 0 2 184.16 0.000728 Acidic fraction
1354 10 18 2 0 0 2 170.144 0.000164 Acidic fraction
1355 9 16 2 0 0 2 156.128 1.2e-05 Acidic fraction
1356 8 14 2 0 0 2 142.112 1.2e-05 Acidic fraction
1357 27 50 2 0 0 3 406.4 4e-05 Acidic fraction
1358 26 48 2 0 0 3 392.384 4.6e-05 Acidic fraction
1359 25 46 2 0 0 3 378.368 0.000128 Acidic fraction
1360 24 44 2 0 0 3 364.352 0.000353 Acidic fraction
1361 23 42 2 0 0 3 350.336 0.001118 Acidic fraction
1362 22 40 2 0 0 3 336.32 0.003187 Acidic fraction
1363 21 38 2 0 0 3 322.304 0.007525 Acidic fraction
1364 20 36 1 0 0 3 292.288 2.7e-05 Acidic fraction
1365 20 36 2 0 0 3 308.288 0.016755 Acidic fraction
1366 19 34 1 0 0 3 278.272 2.6e-05 Acidic fraction
1367 19 34 2 0 0 3 294.272 0.02549 Acidic fraction
1368 18 32 1 0 0 3 264.256 3.6e-05 Acidic fraction
1369 18 32 2 0 0 3 280.256 0.037495 Acidic fraction
1370 17 30 2 0 0 3 266.24 0.035261 Acidic fraction
1371 16 28 1 0 0 3 236.224 2.2e-05 Acidic fraction
1372 16 28 2 0 0 3 252.224 0.033868 Acidic fraction
1373 15 26 2 0 0 3 238.208 0.027681 Acidic fraction
1374 14 24 1 0 0 3 208.192 1.6e-05 Acidic fraction
1375 14 24 2 0 0 3 224.192 0.016887 Acidic fraction
1376 13 22 1 0 0 3 194.176 1.6e-05 Acidic fraction
1377 13 22 2 0 0 3 210.176 0.007207 Acidic fraction
1378 12 20 2 0 0 3 196.16 0.00137 Acidic fraction
1379 11 18 2 0 0 3 182.144 0.00034 Acidic fraction
1380 10 16 2 0 0 3 168.128 5.3e-05 Acidic fraction
1381 9 14 2 0 0 3 154.112 1.2e-05 Acidic fraction
1382 29 52 1 0 0 4 416.416 4e-05 Acidic fraction
1383 29 52 2 0 0 4 432.416 3.5e-05 Acidic fraction
1384 28 50 1 0 0 4 402.4 0.000125 Acidic fraction
1385 27 48 1 0 0 4 388.384 0.000206 Acidic fraction
1386 26 46 1 0 0 4 374.368 0.000279 Acidic fraction
1387 25 44 1 0 0 4 360.352 0.000673 Acidic fraction
1388 25 44 2 0 0 4 376.352 6.8e-05 Acidic fraction
1389 24 42 1 0 0 4 346.336 0.001447 Acidic fraction
1390 24 42 2 0 0 4 362.336 0.000163 Acidic fraction
1391 23 40 1 0 0 4 332.32 0.003171 Acidic fraction
1392 23 40 2 0 0 4 348.32 0.000454 Acidic fraction
1393 22 38 1 0 0 4 318.304 0.00584 Acidic fraction
1394 22 38 2 0 0 4 334.304 0.001188 Acidic fraction
1395 21 36 1 0 0 4 304.288 0.00983 Acidic fraction
1396 21 36 2 0 0 4 320.288 0.002736 Acidic fraction
1397 20 34 1 0 0 4 290.272 0.015156 Acidic fraction
1398 20 34 2 0 0 4 306.272 0.006399 Acidic fraction
1399 19 32 1 0 0 4 276.256 0.017197 Acidic fraction
1400 19 32 2 0 0 4 292.256 0.013151 Acidic fraction
1401 18 30 1 0 0 4 262.24 0.018448 Acidic fraction
1402 18 30 2 0 0 4 278.24 0.013776 Acidic fraction
1403 17 28 1 0 0 4 248.224 0.013844 Acidic fraction
1404 17 28 2 0 0 4 264.224 0.016718 Acidic fraction
1405 16 26 1 0 0 4 234.208 0.009014 Acidic fraction
1406 16 26 2 0 0 4 250.208 0.015095 Acidic fraction
1407 15 24 1 0 0 4 220.192 0.006288 Acidic fraction
1408 15 24 2 0 0 4 236.192 0.01076 Acidic fraction
1409 14 22 1 0 0 4 206.176 0.005173 Acidic fraction
1410 14 22 2 0 0 4 222.176 0.008405 Acidic fraction
1411 13 20 1 0 0 4 192.16 0.001209 Acidic fraction
1412 13 20 2 0 0 4 208.16 0.001171 Acidic fraction
1413 12 18 1 0 0 4 178.144 0.000552 Acidic fraction
1414 12 18 2 0 0 4 194.144 0.000122 Acidic fraction
1415 11 16 1 0 0 4 164.128 0.000123 Acidic fraction
1416 11 16 2 0 0 4 180.128 4.7e-05 Acidic fraction
1417 10 14 2 0 0 4 166.112 2.4e-05 Acidic fraction
1418 9 12 2 0 0 4 152.096 1.1e-05 Acidic fraction
1419 8 10 2 0 0 4 138.08 1e-05 Acidic fraction
1420 28 48 1 0 0 5 400.384 6.7e-05 Acidic fraction
1421 28 48 2 0 0 5 416.384 6.1e-05 Acidic fraction
1422 27 46 1 0 0 5 386.368 0.00012 Acidic fraction
1423 27 46 2 0 0 5 402.368 5.9e-05 Acidic fraction
1424 26 44 1 0 0 5 372.352 0.000203 Acidic fraction
1425 26 44 2 0 0 5 388.352 5.2e-05 Acidic fraction
1426 25 42 1 0 0 5 358.336 0.000432 Acidic fraction
1427 25 42 2 0 0 5 374.336 5.5e-05 Acidic fraction
1428 24 40 1 0 0 5 344.32 0.001055 Acidic fraction
1429 24 40 2 0 0 5 360.32 0.000159 Acidic fraction
1430 23 38 1 0 0 5 330.304 0.002154 Acidic fraction
1431 23 38 2 0 0 5 346.304 0.000295 Acidic fraction
1432 22 36 1 0 0 5 316.288 0.004222 Acidic fraction
1433 22 36 2 0 0 5 332.288 0.000752 Acidic fraction
1434 21 34 1 0 0 5 302.272 0.007494 Acidic fraction
1435 21 34 2 0 0 5 318.272 0.001581 Acidic fraction
1436 20 32 1 0 0 5 288.256 0.012216 Acidic fraction
1437 20 32 2 0 0 5 304.256 0.003824 Acidic fraction
1438 19 30 1 0 0 5 274.24 0.008904 Acidic fraction
1439 19 30 2 0 0 5 290.24 0.006122 Acidic fraction
1440 18 28 1 0 0 5 260.224 0.016856 Acidic fraction
1441 18 28 2 0 0 5 276.224 0.005381 Acidic fraction
1442 17 26 1 0 0 5 246.208 0.012938 Acidic fraction
1443 17 26 2 0 0 5 262.208 0.006287 Acidic fraction
1444 16 24 1 0 0 5 232.192 0.010802 Acidic fraction
1445 16 24 2 0 0 5 248.192 0.005597 Acidic fraction
1446 15 22 1 0 0 5 218.176 0.008832 Acidic fraction
1447 15 22 2 0 0 5 234.176 0.003014 Acidic fraction
1448 14 20 1 0 0 5 204.16 0.003469 Acidic fraction
1449 14 20 2 0 0 5 220.16 0.001365 Acidic fraction
1450 13 18 1 0 0 5 190.144 0.001464 Acidic fraction
1451 13 18 2 0 0 5 206.144 0.000579 Acidic fraction
1452 12 16 1 0 0 5 176.128 0.000463 Acidic fraction
1453 12 16 2 0 0 5 192.128 0.000161 Acidic fraction
1454 11 14 1 0 0 5 162.112 6.6e-05 Acidic fraction
1455 11 14 2 0 0 5 178.112 0.000101 Acidic fraction
1456 10 12 2 0 0 5 164.096 2.5e-05 Acidic fraction
1457 29 48 1 0 0 6 412.384 4.2e-05 Acidic fraction
1458 28 46 1 0 0 6 398.368 3.2e-05 Acidic fraction
1459 27 44 1 0 0 6 384.352 0.000133 Acidic fraction
1460 27 44 2 0 0 6 400.352 4e-05 Acidic fraction
1461 26 42 1 0 0 6 370.336 0.000118 Acidic fraction
1462 26 42 2 0 0 6 386.336 3.6e-05 Acidic fraction
1463 25 40 1 0 0 6 356.32 0.000318 Acidic fraction
1464 25 40 2 0 0 6 372.32 6e-05 Acidic fraction
1465 24 38 1 0 0 6 342.304 0.000675 Acidic fraction
1466 24 38 2 0 0 6 358.304 0.0001 Acidic fraction
1467 23 36 1 0 0 6 328.288 0.001455 Acidic fraction
1468 23 36 2 0 0 6 344.288 0.000231 Acidic fraction
1469 22 34 1 0 0 6 314.272 0.002839 Acidic fraction
1470 22 34 2 0 0 6 330.272 0.000612 Acidic fraction
1471 21 32 1 0 0 6 300.256 0.005113 Acidic fraction
1472 21 32 2 0 0 6 316.256 0.001235 Acidic fraction
1473 20 30 1 0 0 6 286.24 0.009565 Acidic fraction
1474 20 30 2 0 0 6 302.24 0.0035 Acidic fraction
1475 19 28 1 0 0 6 272.224 0.011856 Acidic fraction
1476 19 28 2 0 0 6 288.224 0.004641 Acidic fraction
1477 18 26 1 0 0 6 258.208 0.012642 Acidic fraction
1478 18 26 2 0 0 6 274.208 0.003615 Acidic fraction
1479 17 24 1 0 0 6 244.192 0.009361 Acidic fraction
1480 17 24 2 0 0 6 260.192 0.005953 Acidic fraction
1481 16 22 1 0 0 6 230.176 0.007609 Acidic fraction
1482 16 22 2 0 0 6 246.176 0.00398 Acidic fraction
1483 15 20 1 0 0 6 216.16 0.00388 Acidic fraction
1484 15 20 2 0 0 6 232.16 0.00246 Acidic fraction
1485 14 18 1 0 0 6 202.144 0.001048 Acidic fraction
1486 14 18 2 0 0 6 218.144 0.001087 Acidic fraction
1487 13 16 1 0 0 6 188.128 0.000226 Acidic fraction
1488 13 16 2 0 0 6 204.128 0.000354 Acidic fraction
1489 12 14 1 0 0 6 174.112 2.7e-05 Acidic fraction
1490 12 14 2 0 0 6 190.112 8.5e-05 Acidic fraction
1491 11 12 1 0 0 6 160.096 1.2e-05 Acidic fraction
1492 11 12 2 0 0 6 176.096 2.4e-05 Acidic fraction
1493 27 42 1 0 0 7 382.336 4.5e-05 Acidic fraction
1494 27 42 2 0 0 7 398.336 3.8e-05 Acidic fraction
1495 26 40 1 0 0 7 368.32 8.4e-05 Acidic fraction
1496 26 40 2 0 0 7 384.32 3.5e-05 Acidic fraction
1497 25 38 1 0 0 7 354.304 0.000209 Acidic fraction
1498 25 38 2 0 0 7 370.304 3.3e-05 Acidic fraction
1499 24 36 1 0 0 7 340.288 0.000401 Acidic fraction
1500 24 36 2 0 0 7 356.288 5.1e-05 Acidic fraction
1501 23 34 1 0 0 7 326.272 0.00088 Acidic fraction
1502 23 34 2 0 0 7 342.272 0.000124 Acidic fraction
1503 22 32 1 0 0 7 312.256 0.00172 Acidic fraction
1504 22 32 2 0 0 7 328.256 0.000413 Acidic fraction
1505 21 30 1 0 0 7 298.24 0.002935 Acidic fraction
1506 21 30 2 0 0 7 314.24 0.001788 Acidic fraction
1507 20 28 1 0 0 7 284.224 0.004443 Acidic fraction
1508 20 28 2 0 0 7 300.224 0.003116 Acidic fraction
1509 19 26 1 0 0 7 270.208 0.004609 Acidic fraction
1510 19 26 2 0 0 7 286.208 0.0035 Acidic fraction
1511 18 24 1 0 0 7 256.192 0.003547 Acidic fraction
1512 18 24 2 0 0 7 272.192 0.004219 Acidic fraction
1513 17 22 1 0 0 7 242.176 0.001879 Acidic fraction
1514 17 22 2 0 0 7 258.176 0.003201 Acidic fraction
1515 16 20 1 0 0 7 228.16 0.000815 Acidic fraction
1516 16 20 2 0 0 7 244.16 0.001632 Acidic fraction
1517 15 18 1 0 0 7 214.144 0.000329 Acidic fraction
1518 15 18 2 0 0 7 230.144 0.00072 Acidic fraction
1519 14 16 1 0 0 7 200.128 0.000125 Acidic fraction
1520 14 16 2 0 0 7 216.128 0.000204 Acidic fraction
1521 13 14 1 0 0 7 186.112 8.3e-05 Acidic fraction
1522 13 14 2 0 0 7 202.112 4.5e-05 Acidic fraction
1523 12 12 1 0 0 7 172.096 3.4e-05 Acidic fraction
1524 12 12 2 0 0 7 188.096 1.8e-05 Acidic fraction
1525 11 10 1 0 0 7 158.08 1.3e-05 Acidic fraction
1526 32 50 2 0 0 8 466.4 3.7e-05 Acidic fraction
1527 28 42 2 0 0 8 410.336 0.00076 Acidic fraction
1528 27 40 1 0 0 8 380.32 6.2e-05 Acidic fraction
1529 27 40 2 0 0 8 396.32 3.1e-05 Acidic fraction
1530 26 38 1 0 0 8 366.304 0.000181 Acidic fraction
1531 25 36 1 0 0 8 352.288 0.000471 Acidic fraction
1532 24 34 1 0 0 8 338.272 0.000914 Acidic fraction
1533 24 34 2 0 0 8 354.272 5.7e-05 Acidic fraction
1534 23 32 1 0 0 8 324.256 0.001842 Acidic fraction
1535 23 32 2 0 0 8 340.256 9.6e-05 Acidic fraction
1536 22 30 1 0 0 8 310.24 0.003138 Acidic fraction
1537 22 30 2 0 0 8 326.24 0.00017 Acidic fraction
1538 21 28 1 0 0 8 296.224 0.004595 Acidic fraction
1539 21 28 2 0 0 8 312.224 0.000299 Acidic fraction
1540 20 26 1 0 0 8 282.208 0.005801 Acidic fraction
1541 20 26 2 0 0 8 298.208 0.000618 Acidic fraction
1542 19 24 1 0 0 8 268.192 0.007586 Acidic fraction
1543 19 24 2 0 0 8 284.192 0.000842 Acidic fraction
1544 18 22 1 0 0 8 254.176 0.006267 Acidic fraction
1545 18 22 2 0 0 8 270.176 0.000967 Acidic fraction
1546 17 20 1 0 0 8 240.16 0.005664 Acidic fraction
1547 17 20 2 0 0 8 256.16 0.000805 Acidic fraction
1548 16 18 1 0 0 8 226.144 0.005151 Acidic fraction
1549 16 18 2 0 0 8 242.144 0.000702 Acidic fraction
1550 15 16 1 0 0 8 212.128 0.002163 Acidic fraction
1551 15 16 2 0 0 8 228.128 0.000342 Acidic fraction
1552 14 14 1 0 0 8 198.112 0.0005 Acidic fraction
1553 14 14 2 0 0 8 214.112 0.000112 Acidic fraction
1554 13 12 1 0 0 8 184.096 9.3e-05 Acidic fraction
1555 13 12 2 0 0 8 200.096 3.4e-05 Acidic fraction
1556 12 10 1 0 0 8 170.08 1.3e-05 Acidic fraction
1557 12 10 2 0 0 8 186.08 2e-05 Acidic fraction
1558 28 40 1 0 0 9 392.32 3.4e-05 Acidic fraction
1559 27 38 1 0 0 9 378.304 6.4e-05 Acidic fraction
1560 27 38 2 0 0 9 394.304 3.2e-05 Acidic fraction
1561 26 36 1 0 0 9 364.288 0.000141 Acidic fraction
1562 25 34 1 0 0 9 350.272 0.000316 Acidic fraction
1563 25 34 2 0 0 9 366.272 3.2e-05 Acidic fraction
1564 24 32 1 0 0 9 336.256 0.000543 Acidic fraction
1565 24 32 2 0 0 9 352.256 0.003691 Acidic fraction
1566 23 30 1 0 0 9 322.24 0.001049 Acidic fraction
1567 22 28 1 0 0 9 308.224 0.001895 Acidic fraction
1568 22 28 2 0 0 9 324.224 8.8e-05 Acidic fraction
1569 21 26 1 0 0 9 294.208 0.002914 Acidic fraction
1570 21 26 2 0 0 9 310.208 0.000144 Acidic fraction
1571 20 24 1 0 0 9 280.192 0.003805 Acidic fraction
1572 20 24 2 0 0 9 296.192 0.000263 Acidic fraction
1573 19 22 1 0 0 9 266.176 0.003813 Acidic fraction
1574 19 22 2 0 0 9 282.176 0.000366 Acidic fraction
1575 18 20 1 0 0 9 252.16 0.002822 Acidic fraction
1576 18 20 2 0 0 9 268.16 0.00056 Acidic fraction
1577 17 18 1 0 0 9 238.144 0.001682 Acidic fraction
1578 17 18 2 0 0 9 254.144 0.000548 Acidic fraction
1579 16 16 1 0 0 9 224.128 0.001042 Acidic fraction
1580 16 16 2 0 0 9 240.128 0.000444 Acidic fraction
1581 15 14 1 0 0 9 210.112 0.000479 Acidic fraction
1582 15 14 2 0 0 9 226.112 0.000391 Acidic fraction
1583 14 12 1 0 0 9 196.096 8.7e-05 Acidic fraction
1584 14 12 2 0 0 9 212.096 0.000197 Acidic fraction
1585 13 10 1 0 0 9 182.08 1.5e-05 Acidic fraction
1586 29 40 1 0 0 10 404.32 4.9e-05 Acidic fraction
1587 27 36 1 0 0 10 376.288 0.0001 Acidic fraction
1588 26 34 1 0 0 10 362.272 7.6e-05 Acidic fraction
1589 25 32 1 0 0 10 348.256 0.000136 Acidic fraction
1590 24 30 1 0 0 10 334.24 0.000205 Acidic fraction
1591 23 28 1 0 0 10 320.224 0.000351 Acidic fraction
1592 23 28 2 0 0 10 336.224 3.3e-05 Acidic fraction
1593 22 26 1 0 0 10 306.208 0.000526 Acidic fraction
1594 22 26 2 0 0 10 322.208 9.8e-05 Acidic fraction
1595 21 24 1 0 0 10 292.192 0.000582 Acidic fraction
1596 21 24 2 0 0 10 308.192 8.1e-05 Acidic fraction
1597 20 22 1 0 0 10 278.176 0.000679 Acidic fraction
1598 20 22 2 0 0 10 294.176 0.000134 Acidic fraction
1599 19 20 1 0 0 10 264.16 0.000601 Acidic fraction
1600 19 20 2 0 0 10 280.16 0.000183 Acidic fraction
1601 18 18 1 0 0 10 250.144 0.000312 Acidic fraction
1602 18 18 2 0 0 10 266.144 0.000228 Acidic fraction
1603 17 16 1 0 0 10 236.128 0.000143 Acidic fraction
1604 17 16 2 0 0 10 252.128 0.000152 Acidic fraction
1605 16 14 1 0 0 10 222.112 9.6e-05 Acidic fraction
1606 16 14 2 0 0 10 238.112 6.4e-05 Acidic fraction
1607 15 12 1 0 0 10 208.096 6.1e-05 Acidic fraction
1608 15 12 2 0 0 10 224.096 4.2e-05 Acidic fraction
1609 27 34 1 0 0 11 374.272 5e-05 Acidic fraction
1610 26 32 1 0 0 11 360.256 5.9e-05 Acidic fraction
1611 25 30 1 0 0 11 346.24 5.4e-05 Acidic fraction
1612 24 28 1 0 0 11 332.224 8.8e-05 Acidic fraction
1613 23 26 1 0 0 11 318.208 0.000144 Acidic fraction
1614 22 24 1 0 0 11 304.192 0.000282 Acidic fraction
1615 21 22 1 0 0 11 290.176 0.00057 Acidic fraction
1616 21 22 2 0 0 11 306.176 3.5e-05 Acidic fraction
1617 20 20 1 0 0 11 276.16 0.000821 Acidic fraction
1618 20 20 2 0 0 11 292.16 2.8e-05 Acidic fraction
1619 19 18 1 0 0 11 262.144 0.00106 Acidic fraction
1620 19 18 2 0 0 11 278.144 3.4e-05 Acidic fraction
1621 18 16 1 0 0 11 248.128 0.000742 Acidic fraction
1622 18 16 2 0 0 11 264.128 2.4e-05 Acidic fraction
1623 17 14 1 0 0 11 234.112 0.000286 Acidic fraction
1624 16 12 1 0 0 11 220.096 7.2e-05 Acidic fraction
1625 25 28 1 0 0 12 344.224 6.4e-05 Acidic fraction
1626 24 26 1 0 0 12 330.208 8.1e-05 Acidic fraction
1627 23 24 1 0 0 12 316.192 6.6e-05 Acidic fraction
1628 22 22 1 0 0 12 302.176 0.000139 Acidic fraction
1629 21 20 1 0 0 12 288.16 0.000157 Acidic fraction
1630 20 18 1 0 0 12 274.144 5.9e-05 Acidic fraction
1631 19 16 1 0 0 12 260.128 6.6e-05 Acidic fraction
1632 25 26 1 0 0 13 342.208 3.7e-05 Acidic fraction
1633 23 22 1 0 0 13 314.176 3e-05 Acidic fraction