0  B8R0.8  CCCC[C@H](N)C(=O)O BB12-2277 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.8  CN(C)C(=O)CCCCl BB12-3613 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.3  CCC(=O)NCCN BB12-2323 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.3  CCCCC(=O)NN BB12-2550 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.4  CC(=O)NCCCO BB12-3384 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.4  CCCSCC(=O)O BB12-3263 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.4  CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.5  CCSC(C)C(=O)O BB12-3261 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.5  CNCC(C)C(=O)O BB12-1637 [1,0,0,0,0,0|2,0,1]=4
9  B9R1.6  O=C(O)C1CCCNC1 BB12-3026 [0,0,0,1,0,0|1,0,1]=3
10  B9R1.59  CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.163  CC1(C(=O)O)CCCO1 BB12-1777 [0,0,0,1,0,0|2,0,1]=4
12  B9R1.163  NC1(C(=O)O)CCCC1 BB56-0255 [0,0,0,1,0,0|2,0,1]=4
13  B6R0.1  CCC\C(N)=N\O BB10-0037 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.1  CNC(=O)CCN BB12-1715 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.1  COC(=O)CCN BB12-2761 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.4  CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.4  CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.3  NNC(=O)C(N)=O BB12-2523 [2,0,0,0,0,0|2,0,0]=4
19  B8R0.5  CCCC(N)CC(=O)O BB12-1701 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.28  NC(=O)CCCC(=O)O BB12-2466 [1,1,0,0,0,0|0,0,2]=4
21  B8R1.1  CC1=NOC(CN)C1 BB55-4169 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.7  NC(=O)[C@@H]1CCCN1 BB12-3488 [1,0,0,1,0,0|1,0,1]=4
23  B10R1.61  NC(=O)C1CCCCC1=O BB12-2086 [0,0,0,1,0,1|2,0,0]=4
24  B10R1.61  O=C(O)C1CCCNC1=O BB12-1633 [0,0,0,1,0,1|2,0,0]=4
25  B10R1.113  CN1CCCC(C(=O)O)C1 BB12-2768 [0,1,0,1,0,0|1,0,1]=4
26  B10R0.78  O=C(O)\C=C/C(=O)NCCO BB20-3131 [0,0,0,0,0,2|2,0,0]=4