0  B27R3.44229976  C[N+]1(C)CCCC(OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)C1 D00720 [0,0,0,0,0,0|0,0,0]=0
1  B28R3.126932026  CC[N+]1(C)CCCC(OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)C1 D07084 [0,1,0,0,0,0|0,0,0]=1
2  B27R3.7849619  C[N+]1(C)CCCC1COC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 D05535 [0,0,1,1,0,0|0,0,0]=2
3  B29R4.2125855642  C[N+]12CCC(CC1)C(OC(=O)C(O)(C3=CC=CC=C3)C4=CC=CC=C4)C2 D00716 [0,1,0,1,0,0|0,0,0]=2
4  B25R3.32665543  C[N+]1(C)CCC(OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CS3)C1 D04434 [0,0,0,0,2,0|1,0,0]=3
5  B27R3.17931031  C[N+]1(C)CCC(OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)CC1 D05360 [0,0,0,0,1,1|0,0,0]=2