0  B17R1.17698  CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C MCULE-9513698281 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.9367  CCCC1=NC(=C(N1C)C(=O)O)C(=O)O MCULE-5430617112 [0,0,0,0,2,0|2,0,0]=4