Selected Cell
Cell:
Value:
Raw data thermotable
A
B
C
D
E
F
G
H
I
J
K
L
M
N
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
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248
249
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251
252
253
254
255
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258
259
260
261
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263
264
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302
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307
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309
310
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313
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315
316
317
318
319
320
321
322
323
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325
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328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
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345
346
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349
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351
352
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355
356
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358
359
360
361
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364
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366
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400
| 194. ammonia63 | |||||||||||||
| 195. ammonia71: NH3 eq,buff | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | -40.08272 | W | -132.51 | - | |
| 196. ammonia72 | |||||||||||||
| 197. ammonia81: NH3 (g) | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | -16.407 | C | -45.94 | CM | |
| 198. ammonia82: NH3 (g) | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | -16.45 | Z | -45.94 | CM | |
| 199. ammonia83: NH3 (g) | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | -16.568640000000002 | W | -46.10768 | W | |
| 200. ammonia84: NH3 (g) | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | -16.49 | M0 | -45.94 | M | |
| 201. ammonia85: NH3 (g) | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | -16.65232 | B | -45.94 | CM | |
| 202. ammonia86 | |||||||||||||
| 203. ammonia91: ammonium hydroxide (aq) | 0 | 5 | 1 | 1 | 0 | 0 | 0 | 0 | -263.75936 | W | -366.121 | W | |
| 204. ammonia92: ammonium hydroxide (aq) | 0 | 5 | 1 | 1 | 0 | 0 | 0 | 0 | -263.75936 | W | -366.12092 | W | |
| 205. AMMONIUM CYANIDE | |||||||||||||
| 206. ammonium cyanide (aq[ai]) | 1 | 4 | 2 | 0 | 0 | 0 | 0 | 0 | 93 | Z | 18 | Z | |
| 207. AMP | |||||||||||||
| 208. AMP11: AMP2- species | 10 | 12 | 5 | 7 | 1 | 0 | 0 | -2 | -1040.45 | AG | -1635.37 | AG | |
| 209. AMP12: HAMP- species | 10 | 13 | 5 | 7 | 1 | 0 | 0 | -1 | -1078.86 | AG | -1629.97 | AG | |
| 210. AMP13: H2amp species | 10 | 14 | 5 | 7 | 1 | 0 | 0 | 0 | -1101.63 | AG | -1648.07 | AG | |
| 211. AMP14: MgAMP | 10 | 12 | 5 | 7 | 1 | 0 | 1 | 0 | -1511.68 | AG | -2091.07 | AG | |
| 212. AMP15: amp-blend (H+, AG) | 10 | ? | 5 | 7 | 1 | 0 | 0 | ? | - | AG | - | AG | |
| 213. AMP16: amp-omniblend (H+Mg, AG) | 10 | ? | 5 | 7 | 1 | 0 | ? | ? | - | AG | - | AG | |
| 214. AMP17 | |||||||||||||
| 215. AMP2- speciesAMP21: | 10 | 12 | 5 | 7 | 1 | 0 | 0 | -2 | -1029.6 | O | -1628 | O | |
| 216. AMP22: HAMP- species | 10 | 13 | 5 | 7 | 1 | 0 | 0 | -1 | -1069.5 | O | -1623.6 | O | |
| 217. AMP23: H2amp species | 10 | 14 | 5 | 7 | 1 | 0 | 0 | 0 | -1109.5 | O | -1641.9 | O | |
| 218. AMP24: MgAMP | 10 | 12 | 5 | 7 | 1 | 0 | 1 | 0 | -1501.3 | O | -2085 | O | |
| 219. AMP25: amp-blend(H+) | 10 | ? | 5 | 7 | 1 | 0 | 0 | ? | - | O | - | O | |
| 220. AMP26: amp-omniblend(H+, Mg2+) | 10 | ? | 5 | 7 | 1 | 0 | ? | ? | - | O | - | O | |
| 221. AMP27 | |||||||||||||
| 222. AMP31: H3AMP+ cationic? Species; E? | 10 | 15 | 5 | 7 | 1 | 0 | 0 | 1 | -1099.3 | E | -1623.6 | E<O | |
| 223. AMP32 | |||||||||||||
| 224. AMPCYCLIC | |||||||||||||
| 225. AMPcyclic11: cyclicamp-1 -species with 7 H is what Alberty used; NOT COUNTING ADENINE RING H? | 10 | 7 | 5 | 6 | 1 | 0 | 0 | -1 | -629.68 | A | -1623.6 | XA | |
| 226. AMPcyclic12: cyclicamp-1 -species with 11 H is correct and the wiki formula | 10 | 11 | 5 | 6 | 1 | 0 | 0 | -1 | -792.74 | A | -1173.1408796755295 | X<OAMP | |
| 227. AMPcyclic13: cyclic AMP neutral species has 12 H (counted) | 10 | 12 | 5 | 6 | 1 | 0 | 0 | 0 | -831.3 | E | -931.835594411897 | E<OAMP | |
| 228. ARABINOSE | |||||||||||||
| 229. arabinose11: beta-arabinose (cr) | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -737.726 | G | -1057.027 | G | |
| 230. arabinose12: beta-L-arabinose (aq) | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -760.6 | E | -1057.027 | G | |
| 231. arabinose13 | |||||||||||||
| 232. arabinose21: arabinose neutral species (aq[aq[ao]]) | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -738.786 | G | -1034.003 | G | |
| 233. arabinose22: arabinose - | 5 | 9 | 0 | 5 | 0 | 0 | 0 | -1 | -671.786 | G | -1003.787 | G | |
| 234. arabinose23: arabinose 2- | 5 | 8 | 0 | 5 | 0 | 0 | 0 | -2 | -587.766 | G | -1000 | X | |
| 235. arabinose24: arabinose blend | 5 | ? | 0 | 5 | 0 | 0 | 0 | ? | - | G | - | G | |
| 236. arabinose30 | |||||||||||||
| 237. arabinose31 | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -742.23 | A | -1043.79 | A | |
| 238. arabinose32 L-Arabinose | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -761.9 | E | -1043.79 | A | |
| 239. ARABINOSE5PHOSPHATE | |||||||||||||
| 240. arabinose5phos2: 2- species | 5 | 9 | 0 | 8 | 1 | 0 | 0 | -2 | -1598.34 | A | -2241 | X<-glucphosphate | |
| 241. arabinose5phos3: -1 species | 5 | 10 | 0 | 8 | 1 | 0 | 0 | -1 | -1636.53 | A | -2276 | X<-glucphosphate | |
| 242. arabinose5phos4: blend | 5 | ? | 0 | 0 | 1 | 0 | ? | - | A | - | X<-glucphosphate | ||
| 243. arabinose5phos5: 2- species | |||||||||||||
| 244. arabinose5phos6: 2- species | 5 | 9 | 0 | 8 | 1 | 0 | 0 | -2 | -1582.568 | G | -2241 | X<-glucphosphate | |
| 245. arabinose5phos7: arabinose5phosphoric acid species | |||||||||||||
| 246. arabinose5phos8: arabinose5phosphoric acid species | 5 | 11 | 0 | 8 | 1 | 0 | 0 | 0 | -1644.1 | E | -2241.236 | X<-glucphosphate | |
| 247. ARGININE | |||||||||||||
| 248. arginine1: dipolar ion? Unknown source | 6 | 14 | 4 | 2 | 0 | 0 | 0 | 0 | -240.2 | unknown source | -615.4664 | W | |
| 249. arginine2 (cr) | 6 | 14 | 4 | 2 | 0 | 0 | 0 | 0 | -656.888 | W | -621.7424 | W | |
| 250. arginine3 (cr) | 6 | 14 | 4 | 2 | 0 | 0 | 0 | 0 | -240.2 | T | -621.7424 | W->T | |
| 251. arginine5 | |||||||||||||
| 252. arginine6 species E? nH and z uncertain | 6 | 16 | 4 | 2 | 0 | 0 | 0 | 2 | -307.5 | E | -615.4664 | E<W | |
| 253. ARSENATE | |||||||||||||
| 254. arsenate11 AsO43- (aq[ao]) (AsV) | 0 | 0 | 0 | 4 | 0 | 0 | 0 | -3 | -648.41 | Z | -888.14 | Z | |
| 255. arsenate12 HAsO42- (AsV) | 0 | 1 | 0 | 4 | 0 | 0 | 0 | -2 | -714.6 | Z | -906.34 | Z | |
| 256. arsenate13 H2AsO4- (AsV) | 0 | 2 | 0 | 4 | 0 | 0 | 0 | -1 | -753.17 | Z | -909.56 | Z | |
| 257. arsenate14: blend (H, Z) | 0 | ? | 0 | 4 | 0 | 0 | 0 | ? | - | Z | - | Z | |
| 258. arsenate20 | |||||||||||||
| 259. arsenate21: As2O5 (s) | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | -781.9896000000001 | F | -982.6 | dehydrX | |
| 260. arsenate22: 2*H3AsO4-3*water=As2O5 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | -828.2360306333319 | F-est | -982.5999999999999 | dehydrX | |
| 261. arsenate23: HAsO42- (AsV) | 0 | 1 | 0 | 4 | 0 | 0 | 0 | -2 | -717.556 | F | -906.34 | Z | |
| 262. arsenate24: H2AsO4- (AsV) | 0 | 2 | 0 | 4 | 0 | 0 | 0 | -1 | -757.304 | F | -909.56 | Z | |
| 263. arsenate25: Arsenic acid H3AsO4 (AsV) | 0 | 3 | 0 | 4 | 0 | 0 | 0 | 0 | -769.856 | F | -920 | XX | |
| 264. arsenate26: blend (H, Z) | 0 | ? | 0 | 4 | 0 | 0 | 0 | ? | - | - | Z | ||
| 265. arsenate30 | |||||||||||||
| 266. arsenate31: arsenic anhydride (AsV) | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | -772.366 | Pou | -906.34 | dehydrX | |
| 267. arsenate32: ortho arsenic acid (AsV) | 0 | 3 | 0 | 4 | 0 | 0 | 0 | 0 | -769.019 | Pou | -920 | <XX | |
| 268. arsenate33: mono-ortho-arsenate ion (AsV) | 0 | 2 | 0 | 4 | 0 | 0 | 0 | -1 | -748.5176 | Pou | -909.56 | <Z | |
| 269. arsenate34: di-ortho-arsenate ion (AsV) | 0 | 1 | 0 | 4 | 0 | 0 | 0 | -2 | -707.096 | Pou | -906.34 | <Z | |
| 270. arsenate35: tri-ortho-arsenate ion (AsV) | 0 | 0 | 0 | 4 | 0 | 0 | 0 | -3 | -635.968 | Pou | -888.14 | <Z | |
| 271. arsenate36: arsenate blend | 0 | ? | 0 | 4 | 0 | 0 | 0 | ? | - | ||||
| 272. ARSENIC | |||||||||||||
| 273. arsenic (As(0)) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | Pou | 0 | XX | |
| 274. ARSENIC SULPHIDES | |||||||||||||
| 275. arsenic: As cr (As0) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | Z | 0 | Z | |
| 276. arsenicdisulphide acid HAsS2 (aq) | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | -48.57624 | F | -60.720299999999995 | XX | |
| 277. arsenicdisulphide anion AsS2- (aq) | 0 | 0 | 0 | 0 | 0 | 2 | 0 | -1 | -27.44704 | F | -34.308800000000005 | XX | |
| 278. arsenicdisulphide blend | 0 | ? | 0 | 0 | 0 | 2 | 0 | ? | - | ||||
| 279. arsenicmonosulphide AsS (s) | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | -70.33304 | F | -87.91629999999999 | XX | |
| 280. arsenictrisulphide As2S3 (s) | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | -168.406 | F | -210.5075 | XX | |
| 281. ARSENITE | |||||||||||||
| 293. arsenite30: | |||||||||||||
| 283. arsenite11 As2O3 (s) | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | -589.1072 | F | -714.79 | <XdehydrCalc | |
| 284. arsenite12 HAsO32- | 0 | 1 | 0 | 3 | 0 | 0 | 0 | -2 | -524.2552000000001 | F | -700 | <XZ | |
| 285. arsenite13: H2AsO3- (AsIII) | 0 | 2 | 0 | 3 | 0 | 0 | 0 | -1 | -587.13 | Z | -714.79 | Z | |
| 286. arsenite14: arsenious acid H3AsO3 (aq) (AsIII) | 0 | 3 | 0 | 3 | 0 | 0 | 0 | 0 | -639.8 | Z | -742.2 | Z | |
| 287. arsenite15: blend | 0 | ? | 0 | 3 | 0 | 0 | 0 | ? | - | Z | - | Z | |
| 288. arsenite20 arsenous acid H3AsO3 (aq) (AsIII) | |||||||||||||
| 289. arsenite21 arsenic(III) oxide As2O3 (s) | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | -589.1072 | F | -714.79 | dehydrCalc | |
| 290. arsenite22 HAsO32- | 0 | 1 | 0 | 3 | 0 | 0 | 0 | -2 | -524.2552000000001 | F | -700 | <XZ | |
| 291. arsenite23: H2AsO3- (AsIII) | 0 | 2 | 0 | 3 | 0 | 0 | 0 | -1 | -593.2912000000001 | F | -714.79 | Z | |
| 292. arsenite24: arsenious acid H3AsO3 (aq) (AsIII) | 0 | 3 | 0 | 3 | 0 | 0 | 0 | 0 | -646.0096000000001 | F | -742.2 | Z | |
| 293. arsenite25: blend | 0 | ? | 0 | 3 | 0 | 0 | 0 | ? | - | F | - | F | |
| 294. arsenite31: arsenious anhydride (AsIII) (s) (As2O3) | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | -576.05312 | Pou | -714.79 | dehydrCalcX | |
| 295. arsenite32: arsenyl ion (AsIII) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | -163.5944 | Pou | -204.493 | Htr | |
| 296. arsenite33: meta-arsenious acid (AsIII) | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | -402.71 | Pou | -503.3875 | Htr | |
| 297. arsenite34: meta-arsenite ion (AsIII) | 0 | 0 | 0 | 2 | 0 | 0 | 0 | -1 | -350.2008 | Pou | -465.586776 | dehydrX | |
| 298. arsenite35: 'H2AsO3- (AsIII) minus water | 0 | 0 | 0 | 2 | 0 | 0 | 0 | -1 | -352.882744 | F-est | -465.586776 | dehydrX | |
| 299. arsenite36: ortho-arsenious acid (AsIII) | 0 | 3 | 0 | 3 | 0 | 0 | 0 | 0 | -639.90096 | Pou | -742.2 | <Z | |
| 300. arsenite37: mono-ortho arsenite ion (AsIII) | 0 | 2 | 0 | 3 | 0 | 0 | 0 | -1 | -587.4336 | Pou | -714.79 | <Z | |
| 301. arsenite38: arsenite blend | 0 | ? | 0 | 3 | 0 | 0 | 0 | ? | - | ||||
| 302. ARSINE | |||||||||||||
| 303. arsine1 (g) (As-III) | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 175.728 | Pou | 210 | XX | |
| 304. arsine2 AsH3 (g) | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 69.036 | F | 84 | XX | |
| 305. arsine3 AsH3 (aq) | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 99.5792 | F | 120 | XX | |
| 306. ASPARAGINE | |||||||||||||
| 307. asparagine11: x H2O | 4 | 10 | 2 | 4 | 0 | 0 | 0 | 0 | -530.1556 | W | -790.3576 | X | |
| 308. asparagine12: x H2O(cr) | 4 | 10 | 2 | 4 | 0 | 0 | 0 | 0 | -526.808 | T | -766.09 | X | |
| 309. asparagine13: asparagineL (cr) | 4 | 8 | 2 | 3 | 0 | 0 | 0 | 0 | -530.9496 | W | -790.3576 | W | |
| 310. asparagine20 | |||||||||||||
| 311. asparagine21: asparagineL neutral species | 4 | 8 | 2 | 3 | 0 | 0 | 0 | 0 | -525.93 | A | -766.09 | A | |
| 312. asparagine22: asparagineL dipolar ion | 4 | 8 | 2 | 3 | 0 | 0 | 0 | 0 | -525.9288 | W | -766.0904 | W | |
| 313. asparagine30 | |||||||||||||
| 314. asparagine31: asparagineL cation + | 4 | 9 | 2 | 3 | 0 | 0 | 0 | 1 | -537.8 | E | -766.0904 | E<WX | |
| 315. ASPARTATE | |||||||||||||
| 316. aspartate11: DL-aspartic acid (cr) | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -729.2712 | W | -976.964 | W | |
| 317. aspartate12: aspartic acid (cr) | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -729.35488 | W | -972.52896 | W | |
| 318. aspartate20 | |||||||||||||
| 319. aspartate21: aspartate2- | 4 | 5 | 1 | 4 | 0 | 0 | 0 | -2 | -638.6876000000001 | W | -943.40832 | X<-AW | |
| 320. aspartate22: aspartate- species [A, W] | 4 | 6 | 1 | 4 | 0 | 0 | 0 | -1 | -695.88 | A,W | -943.40832 | AW | |
| 321. aspartate23: aspartate- species [M] | 4 | 6 | 1 | 4 | 0 | 0 | 0 | -1 | -698.85 | M3 | -943.40832 | AW | |
| 322. aspartate24: aspartate- species [T] | 4 | 6 | 1 | 4 | 0 | 0 | 0 | -1 | -700.4 | T | -943.40832 | AW | |
| 323. aspartate30 | |||||||||||||
| 324. aspartate31: aspartic acid dipolar ion | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -718.05808 | W | -947.42496 | W | |
| 325. aspartate32: L-aspartate neutral | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -721.3 | TB | -947.42496 | W | |
| 326. aspartate33: L-aspartate neutral | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -722.07 | Ml | -947.42496 | M | |
| 327. aspartate40 | |||||||||||||
| 328. aspartate41: aspartate- species [M] | 4 | 6 | 1 | 4 | 0 | 0 | 0 | -1 | -695.88 | M | -943.40832 | AW | |
| 329. aspartate42: L-aspartate neutral | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -722.07 | Ml | -947.42496 | M | |
| 330. aspartate43: L-asparate + | 4 | 8 | 1 | 4 | 0 | 0 | 0 | 1 | -731.69 | Ml | -947.42496 | X | |
| 331. aspartate44: L-aspartate blend | 4 | ? | 1 | 4 | 0 | 0 | 0 | ? | - | M | - | X | |
| 332. aspartate45: aspartic acid (eq,buf) | 4 | 7 | 1 | 4 | 0 | 0 | 0 | 0 | -736.5095200000001 | W | -947.42496 | W | |
| 333. aspartate50 | |||||||||||||
| 334. aspartate51: L-asparate + | 4 | 8 | 1 | 4 | 0 | 0 | 0 | 1 | -737.2 | E | -947.42496 | E<XX | |
| 335. ATP | |||||||||||||
| 336. ATP11: ATP4- -species | 10 | 12 | 5 | 13 | 3 | 0 | 0 | -4 | -2768.1 | Ap118, G | -3619.21 | Ap118, G | |
| 337. ATP12: HATP3- -species | 10 | 13 | 5 | 13 | 3 | 0 | 0 | -3 | -2811.48 | Ap118, G | -3612.91 | Ap118, G | |
| 338. ATP13: H2ATP2- -species | 10 | 14 | 5 | 13 | 3 | 0 | 0 | -2 | -2838.18 | Ap118, G | -3627.91 | Ap118, G | |
| 339. ATP14: MgATP2- | 10 | 12 | 5 | 13 | 3 | 0 | 1 | -2 | -3258.68 | Ap118, G | -4063.31 | Ap118, G | |
| 340. ATP15: MgHATP- | 10 | 13 | 5 | 13 | 3 | 0 | 1 | -1 | -3287.5 | Ap118, G | -4063.02 | Ap118, G | |
| 341. ATP16: Mg2ATP | 10 | 12 | 5 | 13 | 3 | 0 | 2 | 0 | -3729.33 | Ap118, G | -4519.51 | Ap118, G | |
| 342. ATP17: atp-blend H, AG] | 10 | ? | 5 | 13 | 3 | 0 | 0 | ? | - | Ap118, G | - | Ap118, G | |
| 343. ATP18: atp-omniblend (HMg, AG) | 10 | ? | 5 | 13 | 3 | 0 | ? | ? | - | Ap118, G | - | Ap118, G | |
| 344. ATP20 | |||||||||||||
| 345. ATP21: ATP4- species | 10 | 12 | 5 | 13 | 3 | 0 | 0 | -4 | -2771.1 | O | -3609.3 | O | |
| 346. ATP22: HATP3- species | 10 | 13 | 5 | 13 | 3 | 0 | 0 | -3 | -2811 | O | -3605.2 | O | |
| 347. ATP23: H2ATP2- species | 10 | 14 | 5 | 13 | 3 | 0 | 0 | -2 | -2851 | O | -3621.7 | O | |
| 348. ATP24: MgATP2- | 10 | 12 | 5 | 13 | 3 | 0 | 1 | -2 | -3242.8 | O | -4057.2 | O | |
| 349. ATP25: MgHATP- | 10 | 13 | 5 | 13 | 3 | 0 | 1 | -1 | -3282.8 | O | -4057.8 | O | |
| 350. ATP26: Mg2ATP | 10 | 12 | 5 | 13 | 3 | 0 | 2 | 0 | -3714.6 | O | -4514.6 | O | |
| 351. ATP27: atp-blend [H,O] | 10 | ? | 5 | 13 | 3 | 0 | 0 | ? | - | O | - | O | |
| 352. ATP28: atp-omniblend [HMg, O] | 10 | ? | 5 | 13 | 3 | 0 | ? | ? | - | O | - | O | |
| 353. ATP30 | |||||||||||||
| 354. ATP31: H4ATP species | 10 | 17 | 5 | 13 | 3 | 0 | 0 | 1 | -2872.8 | E | -3621.7 | E<OX | |
| 355. BENZENE | |||||||||||||
| 356. benzene11: benzene(l) | 6 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 124.5 | RT | 49.1 | R | |
| 357. benzene12: benzene (assumed aq) | 6 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 121.6 | E | 49.1 | E<R | |
| 358. benzene13: benzene(g) | 6 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 129.7 | R | 82.9 | R | |
| 359. BENZOATE | |||||||||||||
| 360. benzoic acid11 (cr) | 7 | 6 | 0 | 2 | 0 | 0 | 0 | 0 | -245.6 | T | -384.88616 | P | |
| 361. benzoic acid12 | 7 | 6 | 0 | 2 | 0 | 0 | 0 | 0 | -248.5 | T | -384.88616 | X<P | |
| 362. benzoic acid at pH0: 6 hydrogen pH dependence | 7 | 6 | 0 | 2 | 0 | 0 | 0 | 0 | -235.5 | E | -384.88616 | E<P | |
| 363. BENZYL ALCOHOL | |||||||||||||
| 364. benzyl alcohol (?) | 7 | 8 | 0 | 1 | 0 | 0 | 0 | 0 | -27.6 | T | -160.7 | R | |
| 365. benzyl alcohol (l) | 7 | 8 | 0 | 1 | 0 | 0 | 0 | 0 | -31.25 | T | -160.7 | R | |
| 366. BPG (BISPHOSPHOGLYCERATE) | |||||||||||||
| 367. bpg1: bpg acid (3-Phospho-D-glyceroyl phosphate) | 3 | 8 | 0 | 10 | 2 | 0 | 0 | 0 | -2442.1 | E | -2700 | XX<-2200 on top of glycerol | |
| 368. bpg2: bpg-4 species | 3 | 4 | 0 | 10 | 2 | 0 | 0 | -4 | -2356.14 | A | -2700 | XX<-2200 on top of glycerol | |
| 369. bpg3: bpg-3 species | 3 | 5 | 0 | 10 | 2 | 0 | 0 | -3 | -2401.58 | A | -2700 | XX<-2200 on top of glycerol | |
| 370. bpg4: bpg blend | 3 | ? | 0 | 10 | 2 | 0 | 0 | ? | - | A | - | XX<-2200 on top of glycerol | |
| 371. No data for BPG omniblend | |||||||||||||
| 372. BUTANAL | |||||||||||||
| 373. butanal1: butanal species (=butyraldehyde) | 4 | 8 | 0 | 1 | 0 | 0 | 0 | 0 | -129.87 | A | -238.44616000000002 | P | |
| 374. butanal2: butanal species (=butyraldehyde) | 4 | 8 | 0 | 1 | 0 | 0 | 0 | 0 | -130 | E | -238.44616 | P | |
| 375. butanal3: butyraldehyde species (liq) (=butanal) | 4 | 8 | 0 | 1 | 0 | 0 | 0 | 0 | -119.67 | T | -238.44616 | P | |
| 376. BUTANOL | |||||||||||||
| 377. butanoln species (cr) | 4 | 10 | 0 | 1 | 0 | 0 | 0 | 0 | -168.99176 | B | -333.00456 | B | |
| 378. butanoln species (aq) | 4 | 10 | 0 | 1 | 0 | 0 | 0 | 0 | -171.83688 | BAT | -333.00456 | B | |
| 379. butanoln species (aq) | 4 | 10 | 0 | 1 | 0 | 0 | 0 | 0 | -171.6 | E | -333.00456 | B | |
| 380. BUTYRATE | |||||||||||||
| 381. butyrate1: butyrate- species | 4 | 7 | 0 | 2 | 0 | 0 | 0 | -1 | -352.63 | AT | -535.552 | X<W | |
| 382. butyrate2: butyric acid (l) | 4 | 8 | 0 | 2 | 0 | 0 | 0 | 0 | -379.0704 | WB | -535.1336 | WB | |
| 383. butyrate3 butyrate- species | 4 | 7 | 0 | 2 | 0 | 0 | 0 | -1 | -372.04128000000003 | W | -535.552 | W | |
| 384. butyrate4: butyric acid (aq) | 4 | 8 | 0 | 2 | 0 | 0 | 0 | 0 | -399.572 | W | -532.6232 | W | |
| 385. butyrate5: butyrate blend | 4 | ? | 0 | 2 | 0 | 0 | 0 | ? | - | W | - | W | |
| 386. butyrate6: butyric acid (aq) | 4 | 8 | 0 | 2 | 0 | 0 | 0 | 0 | -380.6 | E | -535.552 | W | |
| 387. Ca | |||||||||||||
| 388. Ca (cr) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | GZ | 0 | GZ | |
| 389. Ca(OH)2 (aq[ai]) | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | -868.07 | Z | -1002.82 | Z | |
| 390. Ca2+ (aq) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | -552.8 | C | -543 | C | |
| 391. Ca2+ (aq) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | -553.58 | Z | -542.83 | Z | |
| 392. CAPROATE | |||||||||||||
| 393. Caproate- | 6 | 11 | 0 | 2 | 0 | 0 | 0 | -1 | -335.96 | T-est | -419.95 | Htr |
