0  B18R1.10382  CC1CCC(C(C)C)C(OC(=O)CCC(=O)O)C1 CS16688 [0,0,0,0,0,0|0,0,0]=0
1  B17R1.4891  CC1CCC(C(C)C)C(OC(=O)CCCBr)C1 MC115025 [1,0,0,0,0,0|1,0,1]=3
2  B17R1.4891  CC1CCC(C(C)C)C(OC(=O)CCCCl)C1 MC115026 [1,0,0,0,0,0|1,0,1]=3
3  B16R1.11435  CC1CCC(C(C)C)C(OC(=O)C(C)O)C1 MC20345 [0,0,0,0,2,0|1,0,1]=4