0  B5R0.1  CC(CCO)O 719 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  CCNC(=S)N 112 [0,0,0,0,0,0|1,1,0]=2
2  B4R0.1  CC(=O)OC 753 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.1  CNC(=S)N 117 [1,0,0,0,0,0|1,1,0]=3
4  B4R0.2  CCOC=O 720 [1,0,0,0,0,0|1,0,0]=2
5  B6R0.2  CC(=O)NC(=S)N 107 [0,1,0,0,0,0|1,1,1]=4
6  B6R0.4  C=CCNC(=S)N 521 [0,1,0,0,0,0|0,1,2]=4
7  B6R0.4  CCCOC(=O)C 762 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.5  C(CS(=O)(=O)O)N 747 [0,1,0,0,0,0|3,0,0]=4
9  B6R1.2  C1CNC(=S)N1 113 [0,0,0,1,0,0|1,1,0]=3
10  B3R0.2  C(=O)(N)N 1178 [2,0,0,0,0,0|1,0,0]=3
11  B3R0.2  CS(=O)C 188 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.5  CC(C(=O)[O-])O 1258 [1,1,0,0,0,0|1,0,0]=3
13  B5R0.5  CC(C(=O)[O-])O 293 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.2  CCCOC=O 763 [1,1,0,0,0,0|0,0,0]=2
15  B7R0.2  CCC(=O)OC(C)C 731 [0,2,0,0,0,0|2,0,0]=4
16  B7R0.3  CCCOC(=O)CC 761 [0,2,0,0,0,0|1,0,0]=3
17  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.6  CC(C)COC(=O)C 721 [0,2,0,0,0,0|1,0,0]=3