0  B5R0.3  C=C[C@@H](N)CC 68012 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.3  C=C[C@@H](N)CO Y14326 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.3  CNC(=O)CCCO F10217 [0,1,0,0,0,0|2,0,1]=4
3  B7R1.2  C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|2,0,1]=4
4  B7R1.2  C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|2,0,1]=4
5  B7R1.2  O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|2,0,0]=3
6  B7R1.4  C[C@H]1CCNC1=O D72754 [0,0,0,1,0,0|1,0,2]=4
7  B4R0.1  C=C[C@H](C)N N11431 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.9  C\C=C(\C=O)CC AC9866 [1,1,0,0,0,0|0,0,1]=3
9  B6R1.7  C=CC1(O)CC1 F53569 [1,0,0,1,0,0|0,0,2]=4
10  B8R1.1  O=C1NC[C@H](CO)O1 P14223 [0,1,0,1,0,0|1,0,1]=4
11  B8R1.3  O=C1C=CC(Br)=CO1 D86222 [0,1,0,1,0,0|0,0,2]=4
12  B8R1.38  COC(=O)[C@@H]1CCO1 D96911 [0,1,0,1,0,0|1,0,1]=4
13  B8R1.11  CCN1N=CC=C1O AT26527 [0,1,0,1,0,0|1,0,1]=4