0  B4R0.1  CC(=O)OC 753 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  CN(C)C=S 110 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  CNC(=S)N 117 [0,0,0,0,0,0|2,1,0]=3
3  B3R0.2  C(=O)(N)N 1178 [1,0,0,0,0,0|2,0,0]=3
4  B3R0.2  CC(C)O 275 [1,0,0,0,0,0|0,0,2]=3
5  B3R0.2  CS(=O)C 188 [1,0,0,0,0,0|1,0,0]=2
6  B3R0.2  [O-]Cl(=O)=O 292 [1,0,0,0,0,0|3,0,0]=4
7  B5R0.1  CC(CCO)O 719 [0,1,0,0,0,0|0,0,2]=3
8  B5R0.1  CCNC(=S)N 112 [0,1,0,0,0,0|1,1,0]=3
9  B5R0.3  CCC(C=C)O 776 [0,1,0,0,0,0|0,0,3]=4
10  B5R0.5  CC(C(=O)[O-])O 1258 [0,1,0,0,0,0|1,0,0]=2
11  B5R0.5  CC(C(=O)[O-])O 293 [0,1,0,0,0,0|1,0,0]=2
12  B2R0.1  O=S=O 822 [2,0,0,0,0,0|2,0,0]=4
13  B4R0.2  CCOC=O 720 [1,1,0,0,0,0|0,0,0]=2
14  B6R0.2  CC(=O)NC(=S)N 107 [0,2,0,0,0,0|1,0,1]=4
15  B6R0.4  CCCOC(=O)C 762 [0,2,0,0,0,0|0,0,0]=2
16  B6R0.5  C(CS(=O)(=O)O)N 747 [0,2,0,0,0,0|2,0,0]=4
17  B6R0.5  C[N+](C)(C)CCO 1302 [0,2,0,0,0,0|2,0,0]=4
18  B6R1.2  C1CNC(=S)N1 113 [0,1,0,1,0,0|1,1,0]=4