0  B7R0.4  CCCCCC(C)=O BBL011381 [1,0,0,0,0,0|1,0,2]=4
1  B7R0.4  CCCOCC(=O)O BBL008506 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.4  NCCCCC(=O)O BBL027702 [1,0,0,0,0,0|1,0,1]=3
3  B7R0.6  CC(=O)CCC(=O)O BBL027404 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.6  CC(C)OCC(=O)O BBL031299 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.6  N=C(N)SCC(=O)O BBL013310 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.6  O=C(O)CCC(=O)O BBL002473 [1,0,0,0,0,0|2,0,1]=4
7  B9R0.7  O=C(O)CCC(=O)C(=O)O BBL010614 [0,1,0,0,0,0|2,0,1]=4
8  B9R1.35  O=C(O)C1CC(O)CN1 BBL001541 [0,0,0,1,0,0|2,0,1]=4
9  B6R0.4  C=CCCC(=O)O BBL027458 [2,0,0,0,0,0|0,0,0]=2
10  B6R0.4  C=CCNC(N)=O BBL011340 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.4  C=CCOC(=O)Cl BBL011109 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  CC(=O)CCCCl BBL010617 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.4  CC(=O)NCCN BBL027688 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  CCCCC(=O)Cl BBL012216 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.4  CCCCC(C)=O BBL011434 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.4  NCCCC(=O)O BBL008590 [2,0,0,0,0,0|0,0,0]=2
17  B6R0.4  O=C(Cl)CCCCl BBL011409 [2,0,0,0,0,0|2,0,0]=4
18  B8R0.7  O=C(O)CCCCCBr BBL012109 [1,1,0,0,0,0|0,0,2]=4
19  B8R0.28  CN(C)CCCC(=O)O BBL011871 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.28  O=C(O)CNCC(=O)O BBL027454 [1,1,0,0,0,0|2,0,0]=4
21  B10R0.98  NC(CSCC(=O)O)C(=O)O BBL036318 [0,1,0,0,0,1|1,0,0]=3
22  B10R0.78  C=CCNC(=O)CCC(=O)O BBL036033 [0,2,0,0,0,0|1,0,1]=4
23  B8R1.7  O=C(O)C1CCCO1 BBL001404 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.23  C=C1CC(C(=O)O)C1 BBL104102 [1,0,0,1,0,0|1,0,1]=4
25  B10R1.54  NC1=NN(CC(=O)O)C=C1 BBL039926 [0,0,0,1,0,1|1,0,1]=4
26  B10R1.113  NC1CCCC(C(=O)O)C1 BBL028080 [0,1,0,1,0,0|0,0,2]=4
27  B10R1.66  O=C(O)CCC1=CC=CO1 BBL027515 [0,1,0,1,0,0|1,0,1]=4
28  B10R1.66  O=C(O)CCN1C=CC=C1 BBL008565 [0,1,0,1,0,0|2,0,0]=4
29  B10R1.66  O=C(O)CCN1C=CC=N1 BBL015777 [0,1,0,1,0,0|1,0,1]=4
30  B10R1.66  O=C(O)CCN1C=CN=C1 BBL012376 [0,1,0,1,0,0|1,0,1]=4
31  B10R1.66  O=C(O)CCN1C=NC=N1 BBL010699 [0,1,0,1,0,0|1,0,1]=4
32  B6R0.2  CC(C)CC(=O)O BBL027399 [1,0,0,0,1,0|1,0,1]=4
33  B6R0.2  CC(O)CC(=O)O BBL027467 [1,0,0,0,1,0|1,0,1]=4
34  B6R0.3  CCC(N)C(=O)O BBL012213 [0,0,0,0,2,0|0,0,2]=4
35  B6R0.3  NC(CO)C(=O)O BBL012102 [0,0,0,0,2,0|1,0,1]=4
36  B6R0.3  NC(CS)C(=O)O BBL012104 [0,0,0,0,2,0|1,0,1]=4