0  B7R1.4  CN1CCCC1=O 105571 [0,0,0,0,0,0|2,0,0]=2
1  B6R1.2  BrC1CCOC1 079615 [1,0,0,0,0,0|1,1,1]=4
2  B6R1.2  CC1CCCO1 105578 [1,0,0,0,0,0|0,1,1]=3
3  B6R1.2  C[C@H]1CCNC1 034511 [1,0,0,0,0,0|2,0,1]=4
4  B6R1.2  O=C1OCCO1 075946 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.11  O=C1CCCC1CO 364082 [0,1,0,0,0,0|1,0,0]=2
6  B8R1.18  C[C@@H]1NC(=O)NC1=O 104358 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.1  CNC(=O)CCCl 310786 [0,0,1,0,0,0|2,0,0]=3
8  B6R0.3  C=CC(C)C(=O)O 103612 [0,0,1,0,0,0|2,0,1]=4
9  B6R0.3  COC(=O)[C@@H](C)Br 097700 [0,0,1,0,0,0|2,0,0]=3
10  B6R0.6  C=CCCCNC 104140 [0,0,1,0,0,0|3,0,0]=4
11  B6R0.6  CCOCCNC 104271 [0,0,1,0,0,0|2,1,0]=4
12  B8R1.4  CC1CCCC(C)[NH2+]1 031072 [0,0,0,0,0,1|2,0,1]=4
13  B5R0.2  C=CCCCCl 097807 [1,0,1,0,0,0|2,0,0]=4
14  B5R0.2  CC\C=C\CBr 104983 [1,0,1,0,0,0|1,0,1]=4
15  B5R0.5  C[C@H](N)C(N)=O 094668 [1,0,1,0,0,0|2,0,0]=4
16  B5R1.1  C1CCNC1 106070 [2,0,0,0,0,0|1,0,1]=4
17  B5R1.1  C1CCOC1 102404 [2,0,0,0,0,0|0,1,1]=4
18  B7R0.2  CNC(=O)CC(C)C 103448 [0,1,1,0,0,0|2,0,0]=4
19  B7R0.3  CNC(=O)CCOC 091206 [0,1,1,0,0,0|1,1,0]=4
20  B7R0.7  CCCC(C)N=C=O 097755 [0,1,1,0,0,0|1,0,1]=4
21  B7R0.13  CC[C@@](C)(N)C(=O)O 048166 [0,1,1,0,0,0|2,0,0]=4
22  B7R0.4  CCCCOC(C)=O 101599 [0,1,1,0,0,0|2,0,0]=4
23  B7R0.4  COCCCC(=O)O 234024 [0,1,1,0,0,0|2,0,0]=4
24  B9R1.2  O=C1CCCC(CO)C1 067772 [0,1,0,0,0,1|1,0,0]=3
25  B9R2.39  O=C1NC2CCC1C2 388777 [0,0,0,1,0,1|1,0,0]=3