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1  B11R1.278  OCC1OCC(C(C1O)O)O S490199 [1,0,0,0,0,0|0,0,0]=1
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3  B11R0.66  C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO CDS025223 [0,0,1,0,0,0|1,0,2]=4
4  B11R0.66  C(O)(CO)C(O)C(O)C(O)CO S641154 [0,0,1,0,0,0|0,0,0]=1
5  B11R0.66  NCC(O)C(O)C(O)C(O)CO S922056 [0,0,1,0,0,0|1,0,0]=2
6  B11R0.66  O=C(C(O)CO)C(O)C(O)CO S641170 [0,0,1,0,0,0|0,0,2]=3
7  B11R0.66  O=C(CO)C(O)C(O)C(O)CO S960071 [0,0,1,0,0,0|0,0,2]=3
8  B11R0.66  OCC(O)C(O)C(O)C(O)CS PH001067 [0,0,1,0,0,0|0,1,0]=2
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12  B12R0.87  NC(=O)C(O)C(O)C(O)C(O)CO S939056 [0,1,1,0,0,0|0,0,2]=4
13  B12R0.87  O=C([O-])C(O)C(O)C(O)C(O)CO S603252 [0,1,1,0,0,0|0,0,2]=4
14  B12R0.196  C(=N/O)\C(O)C(O)C(O)C(O)CO S960128 [0,1,1,0,0,0|0,0,1]=3
15  B12R0.196  C(O)(CO)C(O)C(O)C(O)CNC S218650 [0,1,1,0,0,0|1,0,0]=3
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17  B12R1.14  NC1C(OC(C(C1N)O)CO)O S469823 [1,1,0,0,0,0|2,0,0]=4
18  B12R1.14  NC1C(OC(C(C1O)O)CO)O S487171 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.14  NCC1OC(C(C(C1O)O)N)O S336793 [1,1,0,0,0,0|2,0,0]=4
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21  B12R1.3795  OC1C(C(C(C(C1O)O)O)O)O PH000119 [0,0,1,1,0,0|0,0,0]=2
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