0  B8R1.7  CC(=O)c1cccs1 T29331 [0,0,0,0,0,0|1,0,2]=3
1  B8R1.7  CC(=O)c1nccs1 T8042 [0,0,0,0,0,0|0,0,2]=2
2  B8R1.7  OC(=O)[C@@H]1CCCN1 T2O2683 [0,0,0,0,0,0|2,0,2]=4
3  B8R1.7  OC(=O)[C@H]1CCCN1 T5302 [0,0,0,0,0,0|2,0,2]=4
4  B8R1.7  OC(=O)c1cc[nH]n1 T7842 [0,0,0,0,0,0|3,0,1]=4
5  B8R1.7  OC(=O)c1nc[nH]n1 T1371 [0,0,0,0,0,0|3,0,1]=4
6  B8R1.7  OC([C@H]1NCCC1)=O TN1593 [0,0,0,0,0,0|2,0,2]=4
7  B9R1.11  ONC(=O)C1=CCCC1 T25175 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.35  CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,0,0|1,0,2]=4
9  B9R1.35  OC1CCC(=C1)C(O)=O T24146 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.5  CC/C=C(\C)C(O)=O T8052 [0,0,1,0,0,0|3,0,0]=4
11  B7R0.5  CCCC(=O)C(O)=O T13484 [0,0,1,0,0,0|2,1,0]=4
12  B7R0.5  CCOC(=O)C(C)=O T8030 [0,0,1,0,0,0|1,1,0]=3
13  B9R2.39  O=C1CC2CCC1C2 TN4667 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.18  OC(=O)C1CCN1 T8100 [0,0,0,0,1,0|1,0,2]=4
15  B7R1.18  OC(=O)[C@@H]1CCN1 TN6928 [0,0,0,0,1,0|1,0,2]=4
16  B9R1.6  CC(=O)c1cnccn1 T5596 [0,0,0,0,0,1|1,0,2]=4
17  B9R1.6  OC(=O)C1=CCCNC1 T7557 [0,0,0,0,0,1|2,0,1]=4
18  B9R1.6  OC(=O)C1=CCCNC1 TN1717 [0,0,0,0,0,1|2,0,1]=4
19  B9R1.6  OC(=O)C1=CCNCC1 T11684 [0,0,0,0,0,1|3,0,0]=4
20  B6R0.6  CCC/C=C/C=O T8099 [1,0,1,0,0,0|2,0,0]=4
21  B6R0.3  C/C=C(/C)C(O)=O T3328 [1,0,1,0,0,0|2,0,0]=4
22  B6R0.3  C/C=C(\C)C(O)=O T5542 [1,0,1,0,0,0|2,0,0]=4
23  B6R0.3  CC(=O)C(/C)=N/O T2176 [1,0,1,0,0,0|1,0,0]=3
24  B6R0.3  CCC(=O)C(O)=O T5060 [1,0,1,0,0,0|1,1,0]=4
25  B6R1.2  CC1=NCCN1 T21052 [2,0,0,0,0,0|1,0,0]=3
26  B6R1.2  N=C1CCCS1 T19958 [2,0,0,0,0,0|2,0,0]=4
27  B6R1.2  O=C1NCCN1 T0630 [2,0,0,0,0,0|1,0,1]=4
28  B10R1.15  COC(=O)C1=CCCNC1 T5805 [0,1,0,0,0,1|1,0,1]=4