0  B5R0.3  C(C(=O)NO)Cl bio034 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  CC(CF)N bclit001de5lit22 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.1  CC\C(=C\CO)\C bclit001de5lit6 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.8  CC(C)(CO)OC che003 [0,1,0,0,0,0|3,0,0]=4
4  B6R1.6  C1CC(C1)CI cic053 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.6  C1CC(C1)CN a076de1 [0,0,0,1,0,0|3,0,0]=4
6  B7R0.5  COC[C@@H](C(=O)O)N un060 [0,2,0,0,0,0|1,0,1]=4
7  B5R1.2  C1C(=O)CO1 hw010 [1,0,0,1,0,0|0,0,2]=4
8  B5R1.3  C1C(O1)CI cic056 [1,0,0,1,0,0|1,0,0]=3
9  B5R1.3  C1CC1CI cic048 [1,0,0,1,0,0|2,0,0]=4
10  B5R1.3  C1CN1CO az009 [1,0,0,1,0,0|2,0,0]=4
11  B7R1.1  C1CC(OC1)CI cic054 [0,1,0,1,0,0|2,0,0]=4
12  B7R1.1  C1COCC1CI cic001 [0,1,0,1,0,0|2,0,0]=4
13  B7R1.22  C1C(O1)C(CO)O tox017 [0,1,0,1,0,0|0,0,0]=2