0  B5R0.1  CC(=O)OCBr BIM590 [1,0,0,0,0,0|2,0,1]=4
1  B5R0.1  CNCC(=O)O BIS0907 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  NCCCCN BIB6265 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.2  NCCCCN BIP0733 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.3  O=C[C@@H](O)CO BIB6060 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.2  CC(C)C[C@@H](N)CO BIL0711 [0,1,0,0,0,0|1,0,2]=4
6  B7R0.5  N[C@@H](CCS)C(=O)O BIB6065 [0,1,0,0,0,0|2,0,0]=3
7  B7R0.10  O=C[C@H](O)[C@H](O)CO BIFS0103 [0,1,0,0,0,0|2,0,0]=3
8  B7R1.4  NC1CCSC1=O BIH4018 [0,0,0,1,0,0|2,0,0]=3
9  B7R1.4  N[C@@H]1CONC1=O BIC0119 [0,0,0,1,0,0|3,0,0]=4
10  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,0,0,1,0,0|2,0,0]=3
11  B4R0.1  C[C@@H](N)CO BIA0108 [2,0,0,0,0,0|2,0,0]=4
12  B4R0.1  C[C@H](N)CO BIA0120 [2,0,0,0,0,0|2,0,0]=4
13  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O BII0711 [0,2,0,0,0,0|1,0,0]=3
14  B8R0.23  CC(=O)N[C@@H](C)C(=O)O BIA1219 [0,2,0,0,0,0|1,0,1]=4
15  B8R0.23  CC(=O)N[C@H](C)C(=O)O BIA1217 [0,2,0,0,0,0|1,0,1]=4
16  B8R0.23  CC(C)C[C@@H](N)C(=O)O BIL0710 [0,2,0,0,0,0|1,0,0]=3
17  B8R0.23  CC(C)C[C@H](N)C(=O)O BIL0712 [0,2,0,0,0,0|1,0,0]=3
18  B8R0.3  O=CC[C@@H](O)[C@@H](O)CO BID1005 [0,2,0,0,0,0|2,0,0]=4
19  B8R0.8  C#CCC[C@@H](N)C(=O)O BICR101 [0,2,0,0,0,0|1,0,1]=4
20  B8R0.8  C#CCC[C@H](N)C(=O)O BICR103 [0,2,0,0,0,0|1,0,1]=4
21  B8R0.8  CSCC[C@H](N)C(=O)O BIM0715 [0,2,0,0,0,0|1,0,0]=3
22  B8R0.8  C[Se]CC[C@H](N)C(=O)O BIS0110 [0,2,0,0,0,0|1,0,0]=3
23  B8R0.8  NCCC[C@H](N)C(=O)O BIO1005 [0,2,0,0,0,0|1,0,0]=3
24  B8R1.7  O=C(O)[C@@H]1CCCN1 BIP0717 [0,1,0,1,0,0|1,0,0]=3
25  B8R1.7  O=C(O)[C@H]1CCCN1 BIA0718 [0,1,0,1,0,0|1,0,0]=3