0  B12R1.8  c1ccc(cc1)COCCCBr LS10750 [1,0,0,0,0,0|1,0,1]=3
1  B12R1.8  c1ccc(cc1)COCCCO LS10749 [1,0,0,0,0,0|1,0,1]=3
2  B14R1.29  CCOC(=O)C[C@@H](c1ccccc1)N LS30297 [0,1,0,0,0,0|2,0,0]=3
3  B14R1.502  CCOC(=O)C#Cc1ccc(cc1)Cl LS10147 [0,1,0,0,0,0|2,0,1]=4
4  B14R1.502  CCOC(=O)\C=C\c1ccc(cc1)Cl LS10205 [0,1,0,0,0,0|2,0,1]=4
5  B14R1.520  CCOC(=O)CNCc1ccccc1 LS40795 [0,0,0,0,0,1|2,0,0]=3
6  B14R1.520  CCOC(=O)COCc1ccccc1 LS10748 [0,0,0,0,0,1|1,0,0]=2
7  B11R1.28  c1ccc(cc1)CCCCO LS10545 [2,0,0,0,0,0|1,0,1]=4
8  B11R1.28  c1ccc(cc1)COCCO LS10494 [2,0,0,0,0,0|1,0,0]=3
9  B11R1.91  CC(=O)CCc1ccccc1 LS10597 [2,0,0,0,0,0|1,0,0]=3
10  B11R1.91  c1ccc(cc1)COC(=O)N LS40379 [2,0,0,0,0,0|1,0,0]=3
11  B13R1.11  COC(=O)C[C@@H](c1ccccc1)N LS30298 [1,1,0,0,0,0|2,0,0]=4
12  B13R1.351  CC(=C)C(=O)OCc1ccccc1 LS11727 [1,1,0,0,0,0|0,0,1]=3
13  B15R1.3678  CC(C)[C@@H](C(=O)OCc1ccccc1)N LS30032 [0,2,0,0,0,0|0,0,0]=2
14  B13R2.2382  c1ccc(cc1)COCC2CO2 LS40021 [1,0,0,1,0,0|1,0,1]=4
15  B13R2.2382  c1ccc(cc1)COC[C@@H]2CO2 LS30051 [1,0,0,1,0,0|1,0,1]=4
16  B13R2.2382  c1ccc(cc1)COC[C@H]2CO2 LS30050 [1,0,0,1,0,0|1,0,1]=4
17  B13R2.26  CCCc1nc2ccccc2s1 LS40987 [0,0,0,1,1,0|1,1,0]=4
18  B13R2.163  c1ccc2c(c1)CCCC(=O)N2 LS40147 [0,0,0,1,1,0|1,0,0]=3
19  B15R2.31  c1ccc(cc1)CN2CCCC(=O)C2 LS20724 [0,0,0,1,0,1|1,0,0]=3
20  B15R2.38  c1ccc(cc1)CN2CCNCC2=O LS20790 [0,1,0,1,0,0|1,0,0]=3
21  B11R1.16  CCOC(=O)c1cccnc1 LS00014 [0,0,0,0,2,0|2,0,0]=4