0  B12R0.234  C(CCCCCCCO)=CC(=O)O Q3294 [0,0,0,0,0,0|1,0,2]=3
1  B12R0.234  C(CCCCCCCO)=CC(=O)O Q3294 [0,0,0,0,0,0|1,0,2]=3
2  B12R0.234  O=C(O)CCCCCCCCCBr B5460 [0,0,0,0,0,0|1,0,0]=1
3  B11R0.148  O=C(O)CCCCCCCCBr B18462 [1,0,0,0,0,0|1,0,0]=2
4  B13R0.54  CCCCCCCCCCCC(=N)N D13758 [0,1,0,0,0,0|2,0,0]=3
5  B13R0.147  CCCCCCCCCCC(O)CN A13316 [0,1,0,0,0,0|1,0,1]=3
6  B13R0.147  CCCCCCCCCC\C(N)=N/O H14017 [0,1,0,0,0,0|1,0,0]=2
7  B10R0.71  OCCCCCCCCCBr B12939 [2,0,0,0,0,0|1,0,0]=3
8  B10R0.4  CCCCCCCCC(=N)N N13879 [2,0,0,0,0,0|2,0,0]=4
9  B10R0.4  O=C(O)CCCCCCCBr B3812 [2,0,0,0,0,0|1,0,0]=3
10  B12R0.5  CCCCCCCCNCCC#N O8293 [1,1,0,0,0,0|1,0,1]=4
11  B12R0.5  CCC\C=C/CCCCCCCO D19119 [1,1,0,0,0,0|0,0,2]=4
12  B12R0.5  OCCCCCOCCCCCO H16446 [1,1,0,0,0,0|1,0,1]=4
13  B12R0.5  OCCCCCSCCCCCO H16447 [1,1,0,0,0,0|1,0,1]=4
14  B12R0.251  CCCCCCCCC(O)C(=O)O H15054 [1,1,0,0,0,0|0,0,0]=2
15  B12R0.268  O=C(O)CCCCCCCC(=O)O A1176 [1,1,0,0,0,0|1,0,1]=4
16  B12R1.252  O=C(O)CCCC1CCNCC1 P17612 [1,0,0,1,0,0|1,0,0]=3
17  B12R1.255  O=C(O)CCCC[C@@H]1CCSS1 L6253 [1,0,0,1,0,0|2,0,0]=4
18  B12R1.255  [C@@H]1(CCCCC(=O)O)CCSS1 L4927 [1,0,0,1,0,0|2,0,0]=4
19  B14R1.6426  NC1(C(=O)O)CCCCCCCCC1 A12896 [0,1,0,1,0,0|0,0,0]=2
20  B14R1.13044  NC(CC(=O)O)C1CCCCCCC1 A14532 [0,1,0,1,0,0|0,0,0]=2
21  B14R2.781  O=C(O)[C@@H]1CC2CCCCC2CN1 D5943 [0,0,0,2,0,0|1,0,0]=3
22  B14R2.31359  O=C(O)C1CCCN2CCCCC12 O17595 [0,0,0,2,0,0|1,0,0]=3
23  B14R2.4281  COC1C(C(=O)O)NC2CCCC21 M18808 [0,0,0,2,0,0|2,0,0]=4