0  B11R0.3  C(CCCCO)CCCNCO HHO [0,0,0,0,0,0|2,0,1]=3
1  B11R0.3  CCCCCCCCCCC=O UNA [0,0,0,0,0,0|2,0,0]=2
2  B11R0.3  CCCCCCCCCCCC D12 [0,0,0,0,0,0|1,0,2]=3
3  B10R0.71  C(CCNCCCCN)CN 37Z [1,0,0,0,0,0|3,0,0]=4
4  B10R0.71  C(CCNCCCN)CCS SS9 [1,0,0,0,0,0|2,1,0]=4
5  B10R0.71  CCCCCCCCCCC UND [1,0,0,0,0,0|0,0,2]=3
6  B10R0.71  CCCCCCCCCCO DE1 [1,0,0,0,0,0|0,0,1]=2
7  B10R0.71  CCCCCCCCCCS D1T [1,0,0,0,0,0|0,1,1]=3
8  B10R0.71  CCCCCNCCCCC DIP [1,0,0,0,0,0|1,0,2]=4
9  B12R0.1  CCCCCCCC[S@@](=O)CCO OES [0,1,0,0,0,0|1,0,2]=4
10  B12R0.5  CCCCCCCCCCCCC TRD [0,1,0,0,0,0|1,0,2]=4
11  B12R0.5  CCCCCCCCCCCCO 1DO [0,1,0,0,0,0|0,0,2]=3
12  B12R0.5  CCCCCCCCCCOC=O DFD [0,1,0,0,0,0|2,0,0]=3
13  B12R0.5  CCCCCCCCCCOCO DEM [0,1,0,0,0,0|0,0,2]=3
14  B12R0.234  CCCCCCCCCCC(=O)O 11A [0,1,0,0,0,0|2,0,0]=3
15  B9R0.45  C(CCCCN)CCCN DIA [2,0,0,0,0,0|2,0,0]=4
16  B9R0.45  C(CCCCO)CCCO ODI [2,0,0,0,0,0|1,0,0]=3
17  B9R0.45  CCCCCCCCCC D10 [2,0,0,0,0,0|0,0,1]=3
18  B9R0.45  CCCCCCCCCO F09 [2,0,0,0,0,0|0,0,0]=2
19  B9R0.45  CCCCCCCNC=O HPL [2,0,0,0,0,0|2,0,0]=4
20  B11R0.148  CCCCCCCCCC(=O)C UOC [1,1,0,0,0,0|0,0,1]=3
21  B11R0.148  CCCCCCCCCC(=O)O CRC [1,1,0,0,0,0|1,0,0]=3
22  B11R0.148  CCCCCCCCCC(=O)O DKA [1,1,0,0,0,0|1,0,0]=3
23  B13R0.54  C(CCCCCS)CCCCC(=O)O MDX [0,2,0,0,0,0|0,1,1]=4
24  B13R0.54  CC(=O)CCCCCCCCCC=C 2TD [0,2,0,0,0,0|0,0,1]=3
25  B13R0.54  CCCCCCCCCCCC(=O)O DAO [0,2,0,0,0,0|0,0,2]=4
26  B13R0.54  CCCCCCCCCCCC(=O)O LAU [0,2,0,0,0,0|0,0,2]=4
27  B13R0.54  CCCCCCCCCCOC(=O)S UDT [0,2,0,0,0,0|2,0,0]=4
28  B13R0.54  CCCCCCCCC\C=C\C(=O)O 3X1 [0,2,0,0,0,0|1,0,1]=4
29  B13R0.336  C(CCCCCCBr)CCCCCO BDD [0,2,0,0,0,0|0,0,2]=4
30  B13R0.336  CCCCCCCCCCCCC=S 3LX [0,2,0,0,0,0|1,0,1]=4
31  B13R0.179  C(CCCCC(=O)O)CCCC(=O)O DEC [0,2,0,0,0,0|1,0,1]=4
32  B13R0.179  CC(C)CCCCCCCCC(=O)O M12 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.28  C1CNCCC1CCCC=O C1R [1,0,0,1,0,0|2,0,0]=4