0  B9R1.95  CO[C@H]1C[C@@H](C(=O)O)C1 4064347 [0,0,0,1,0,0|2,0,1]=4
1  B8R1.1  NCC1CCC(=O)N1 4088542 [1,0,0,1,0,0|1,0,1]=4