0  B8R1.4  CC1CCN=C(C1)[NH3+] 81015 [0,1,0,0,0,0|2,0,0]=3
1  B8R1.4  CC1CCN=C(S1)N 81010 [0,1,0,0,0,0|3,0,0]=4
2  B6R0.4  C(CC(=O)[O-])CO 9002506 [0,0,1,0,0,0|2,0,0]=3
3  B6R0.4  CC(C)CCCO 18446 [0,0,1,0,0,0|2,0,1]=4
4  B6R1.2  C1CC(=O)OC1 18706 [0,0,0,0,1,0|1,0,0]=2
5  B6R1.2  C1COC[C@@H]1N 11391 [0,0,0,0,1,0|2,0,1]=4
6  B6R1.2  C1COC[C@H]1N 11390 [0,0,0,0,1,0|2,0,1]=4
7  B5R0.1  CCCC(=O)[O-] 13121 [1,0,1,0,0,0|1,0,0]=3
8  B7R0.2  CCC(C)CC(C)N 10749 [0,1,1,0,0,0|1,0,1]=4
9  B7R0.4  CC(=O)NCCCN 9002787 [0,1,1,0,0,0|1,0,0]=3
10  B7R1.2  C1C[C@H](C[C@H]1N)O 11357 [0,1,0,0,1,0|0,0,2]=4
11  B9R1.3  CC1C(=O)CCCC1=O 10007138 [0,2,0,0,0,0|0,0,1]=3