0  B8R1.1  C=C[C@H]1CNC(=S)O1 HY-N0224A [0,0,0,1,0,0|2,0,1]=4
1  B5R0.3  O=C[C@H](O)CO HY-W008507 [2,0,0,0,0,0|1,1,0]=4
2  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [2,0,0,0,0,0|1,1,0]=4