0  B6R0.2  CC(=O)NC(=S)N 107 [0,0,0,0,0,0|3,1,0]=4
1  B5R0.1  CCNC(=S)N 112 [1,0,0,0,0,0|2,1,0]=4
2  B7R0.2  CCC(=O)OC(C)C 731 [0,1,0,0,0,0|3,0,0]=4
3  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [0,1,0,0,0,0|2,0,0]=3
4  B5R0.5  CC(C(=O)[O-])O 1258 [0,0,0,0,1,0|3,0,0]=4
5  B5R0.5  CC(C(=O)[O-])O 293 [0,0,0,0,1,0|3,0,0]=4
6  B7R0.6  CC(C)COC(=O)C 721 [0,0,0,0,0,1|2,0,0]=3
7  B4R0.1  CC(=O)OC 753 [2,0,0,0,0,0|2,0,0]=4
8  B4R0.1  CN(C)C=S 110 [2,0,0,0,0,0|0,1,0]=3
9  B4R0.1  CNC(=S)N 117 [2,0,0,0,0,0|0,1,0]=3
10  B4R0.2  CCOC=O 720 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.4  CCCOC(=O)C 762 [1,1,0,0,0,0|2,0,0]=4
12  B8R0.9  CCC(=O)OCC(C)C 728 [0,1,0,0,0,1|2,0,0]=4
13  B8R0.23  CC(C)C[C@@H](C(=O)O)N 751 [0,1,0,0,0,1|2,0,0]=4
14  B8R0.2  CC[C@H](C)[C@@H](C(=O)O)N 269 [0,2,0,0,0,0|2,0,0]=4
15  B8R1.18  CN1CC(=O)N=C1N 966 [0,1,0,1,0,0|0,0,2]=4
16  B8R0.28  CC(=CCCC(=O)C)C 773 [0,0,0,0,0,2|2,0,0]=4
17  B8R0.28  CC(=CCN=C(N)N)C 219 [0,0,0,0,0,2|2,0,0]=4
18  B8R0.28  CC(C)CCOC(=O)C 736 [0,0,0,0,0,2|2,0,0]=4