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2  B12R1.261  O=C([C@@H]1[C@@H](C(O)=O)CCCC1)O M10172609P [0,0,0,1,0,0|3,0,0]=4
3  B9R0.39  O=C(O)[C@@H](NC(C)=O)CS M10016257P [2,0,0,0,0,0|0,0,0]=2
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6  B11R1.178  O=C([C@H]1N(C(C)=O)CSC1)O M10275997P [1,0,0,1,0,0|0,0,0]=2
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