0  B7R0.3  COC(=O)CCCN T22364 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.1  COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.4  C=CCNC(N)=S T0418 [1,0,0,0,0,0|2,1,0]=4
3  B6R0.6  CC\C=C/CCO T22295 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  NCC(=O)CCC(=O)O T1662 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.9  NCC(=O)NCC(=O)O T5286 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.1  C=CC1CNC(=S)O1 T2S1778 [0,0,0,1,0,0|1,2,0]=4
7  B8R1.1  C=C[C@@H]1CNC(=S)O1 T5S0092 [0,0,0,1,0,0|1,2,0]=4
8  B7R0.2  COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4
9  B7R0.6  CC(=O)CCC(=O)O T5551 [1,1,0,0,0,0|2,0,0]=4
10  B7R0.6  CC(=O)NCC(=O)O T4822 [1,1,0,0,0,0|2,0,0]=4
11  B7R0.1  C=CCSSCC=C TN1576 [1,1,0,0,0,0|1,0,1]=4
12  B9R0.7  CC(S)C(=O)NCC(=O)O T1630 [0,2,0,0,0,0|2,0,0]=4
13  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,1,1]=4
14  B7R1.4  NC1CCSC1=O T5968 [1,0,0,1,0,0|1,0,1]=4
15  B7R1.4  N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,0,1]=4
16  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 T0507 [0,1,0,1,0,0|2,0,0]=4
17  B9R1.35  O=C1CC[C@H](C(=O)O)N1 T4814 [0,1,0,1,0,0|2,0,0]=4