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  • Committer: Morten Kjeldgaard
  • Date: 2011-02-24 20:44:55 UTC
  • Revision ID: mok@bioxray.dk-20110224204455-ue4v9y1m7ctx35cu
add id to each buffer compound

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data/buffer.xml
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<buffers>
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<buffer>
 
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  <id>aces</id>
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  <trivial>ACES</trivial>
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  <chemical>2-[(2-Amino-2-oxoethyl)amino]-ethanesulfonic acid</chemical>
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  <mw>182.2</mw>
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</buffer>
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<buffer>
 
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  <id>ac</id>
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  <trivial>Acetic acid</trivial>
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  <mw>60.05</mw>
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  <pka>4.76</pka>
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</buffer>
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<buffer>
 
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  <id>ada</id>
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  <trivial>ADA</trivial>
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  <chemical>N-[2-acetamido]-2-iminodiacetic acid</chemical>
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  <mw>190.2</mw>
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</buffer>
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<buffer>
 
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  <id>bes</id>
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  <trivial>BES</trivial>
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  <chemical>N,N-bis(2-Hydroxyethyl)-2-aminoethanesulfonic acid</chemical>
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  <mw>213.3</mw>
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</buffer>
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<buffer>
 
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  <id>benzo</id>
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  <trivial>Benzoic acid</trivial>
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  <mw>122.1</mw>
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  <pka>4.2</pka>
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</buffer>
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<buffer>
 
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  <id>bicine</id>
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  <trivial>Bicine</trivial>
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  <chemical>N,N-bis-(2-hydroxyethyl)-glycine</chemical>
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  <mw>163.2</mw>
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</buffer>
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<buffer>
 
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  <id>bistris</id>
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  <trivial>Bis-tris</trivial>
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  <chemical>2,2-bis-(hydroxymethyl)-2,2',2''-nitrilotriethanol</chemical>
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  <mw>209.2</mw>
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</buffer>
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<buffer>
 
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  <id>caps</id>
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  <trivial>CAPS</trivial>
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  <chemical>3-(cyclohexylamino)-1-propansulfonic acid</chemical>
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  <mw>221.3</mw>
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</buffer>
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<buffer>
 
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  <id>capso</id>
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  <trivial>CAPSO</trivial>
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  <chemical> 3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid</chemical>
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  <mw>237.32</mw>
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</buffer>
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<buffer>
 
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  <id>cl-ac</id>
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  <trivial>Chloroacetatic acid</trivial>
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  <mw>94.5</mw>
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  <pka>2.88</pka>
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</buffer>
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<buffer>
 
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  <id>formate</id>
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  <trivial>Formic acid</trivial>
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  <mw>46.03</mw>
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  <pka>3.75</pka>
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</buffer>
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<buffer>
 
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  <id>maleate</id>
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  <trivial>Maleic acid</trivial>
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  <mw>116.1</mw>
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  <pka>2.0</pka>
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</buffer>
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<buffer>
 
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    <id>mes</id>
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  <trivial>MES</trivial>
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  <chemical>2-[N-Morpholino]ethanesulfonic acid</chemical>
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  <mw>195.2</mw>
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</buffer>
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<buffer>
 
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  <id>phos-0</id>
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  <trivial>Phosphoric acid</trivial>
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  <!--  Aqueous solution, >= 85% pure  -->
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  <mw>98.0</mw>
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</buffer>
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<buffer>
 
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  <id>piperazine</id>
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  <trivial>Piperazine</trivial>
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  <mw>86.14</mw>
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  <pka>5.55</pka>
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</buffer>
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<buffer>
 
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  <id>prop</id>
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  <trivial>Propionic acid</trivial>
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  <mw>74.05</mw>
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  <pka>4.86</pka>
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</buffer>
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<buffer>
 
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  <id>pyridine</id>  
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  <trivial>Pyridine</trivial>
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  <mw>79.10</mw>
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  <pka>5.23</pka>
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</buffer>
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<buffer>
 
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  <id>pipes</id>
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  <trivial>PIPES</trivial>
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  <chemical>Piperazine-N,N'-bis[2-ethanesulfonic acid]</chemical>
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  <mw>302.4</mw>
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<buffer>
 
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  <id>mops</id>
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  <trivial>MOPS</trivial>
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  <chemical>3-[N-Morpholino]propanesulfonic acid</chemical>
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  <mw>209.3</mw>
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</buffer>
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<buffer>
 
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  <id>phos-1</id>
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  <trivial>Dihydrogen-phosphate</trivial>
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  <mw>120.0</mw>
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  <pka>7.2</pka>
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</buffer>
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<buffer>
 
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  <id>tes</id>
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  <trivial>TES</trivial>
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  <chemical>N-tris-[hydroxymethyl]methyl-2-aminoethanesulfonic acid</chemical>
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  <mw>229.25</mw>
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</buffer>
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<buffer>
 
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  <id>hepes</id>
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  <trivial>HEPES</trivial>
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  <chemical>4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid</chemical>
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  <mw>238.3</mw>
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</buffer>
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<buffer>
 
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  <id>tris</id>
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  <trivial>TRIS</trivial>
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  <chemical>tris-[hydroxymethyl]aminomethane</chemical>
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  <mw>121.14</mw>
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</buffer>
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<buffer>
 
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  <id>tricine</id>
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  <trivial>Tricine</trivial>
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  <chemical>N-tris-[hydroxymethyl]methylglycine</chemical>
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  <mw>179.2</mw>
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<buffer>
 
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  <id>taps</id>
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  <trivial>TAPS</trivial>
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  <chemical>N-tris-(hydroxymethyl)-methyl-3-aminopropanesulfonic acid</chemical>
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  <mw>243.28</mw>
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</buffer>
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<buffer>
 
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  <id>eam</id>
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  <trivial>Ethanolamine</trivial>
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  <chemical>xxx</chemical>
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  <mw>61.1</mw>
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</buffer>
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<buffer>
 
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  <id>ches</id>
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  <trivial>CHES</trivial>
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  <chemical>cyclohexylaminoethane sulfonic acid</chemical>
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  <mw>207.3</mw>
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<buffer>
 
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  <id>methylamine</id>
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  <trivial>Methylamine</trivial>
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  <mw>31.1</mw>
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  <pka>10.62</pka>
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</buffer>
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<buffer>
 
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  <id>piperidine</id>
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  <trivial>Piperidine</trivial>
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  <mw>85.15</mw>
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  <pka>11.12</pka>
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</buffer>
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<buffer>
 
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  <id>phos-2</id>
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  <trivial>Monohydrogen-phosphate</trivial>
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  <mw>268.07</mw>
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  <pka>12.33</pka>
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<buffer>
 
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  <id>mopso</id>
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  <trivial>MOPSO</trivial>
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  <chemical>3-[N-Morpholino]-2-hydroxypropanesulfonic acid</chemical>
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  <mw>225.26</mw>
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</buffer>
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<buffer>
 
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  <id>tapso</id>
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  <trivial>TAPSO</trivial>
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  <chemical>3-[N-tris-(hydroxymethyl)-methylamino]-2-hydroxy-propanesulfonic acid</chemical>
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  <mw>259.3</mw>
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corrected! -->
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<buffer>
 
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  <id>hepps</id>
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  <trivial>HEPPS</trivial>
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  <chemical>N-2-hydroxyethylpiperazine-N'-propanesulfonic acid</chemical>
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  <mw>252.3</mw>