0  B11R1.16  CCOC(=O)c1cccnc1 LS00014 [1,0,0,0,0,0|1,0,0]=2
1  B11R1.16  c1ccc(cc1)[C@@H](CCCl)O LS30119 [1,0,0,0,0,0|1,0,2]=4
2  B11R1.28  c1ccc(cc1)CCCCO LS10545 [1,0,0,0,0,0|2,0,1]=4
3  B11R1.28  c1ccc(cc1)COCCO LS10494 [1,0,0,0,0,0|1,0,1]=3
4  B13R1.17  c1cc(ccc1C(=O)CCCCl)F LS41348 [0,1,0,0,0,0|2,0,0]=3
5  B13R2.2931  COC1c2ccccc2C(=O)O1 LS40148 [0,0,0,1,0,0|1,0,0]=2
6  B13R2.5252  c1ccc2c(c1)C(=O)CCCN2 LS41750 [0,0,0,1,0,0|2,0,0]=3
7  B13R2.5252  c1ccc2c(c1)CCCCC2=O LS11823 [0,0,0,1,0,0|1,0,0]=2
8  B10R1.15  CC[C@@H](c1ccccc1)N LS30125 [2,0,0,0,0,0|1,0,1]=4
9  B10R1.15  CC[C@H](c1ccccc1)N LS30175 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.15  COC(=O)c1cccnc1 LS20584 [2,0,0,0,0,0|1,0,0]=3
11  B10R1.15  c1ccc(cc1)C(=O)CBr LS11352 [2,0,0,0,0,0|1,0,0]=3
12  B10R1.15  c1ccc(cc1)C(=O)CCl LS11677 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.15  c1ccc(cc1)C(=O)CO LS10613 [2,0,0,0,0,0|1,0,0]=3
14  B10R1.17  c1ccc(cc1)NCCN LS10740 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.16  CCOC(=O)c1cnc(nc1)N LS20015 [1,1,0,0,0,0|2,0,0]=4
16  B12R1.16  c1cc(ccc1C(=O)CC#N)F LS10157 [1,1,0,0,0,0|1,0,1]=4
17  B12R1.17  CCOC(=O)c1cc(cnc1)Br LS20216 [1,1,0,0,0,0|1,0,0]=3
18  B12R1.17  CCOC(=O)c1cccc(n1)N LS20771 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.17  CCOC(=O)c1ccnc(c1)Br LS20069 [1,1,0,0,0,0|1,0,0]=3
20  B12R1.308  CCOC(=O)c1ccccc1Cl LS10629 [1,1,0,0,0,0|0,0,0]=2
21  B12R1.308  CCOC(=O)c1cccnc1C LS21134 [1,1,0,0,0,0|1,0,0]=3
22  B12R1.308  CCOC(=O)c1ccncc1N LS20034 [1,1,0,0,0,0|1,0,0]=3
23  B12R1.8  c1ccc(cc1)COCCCBr LS10750 [1,1,0,0,0,0|0,0,1]=3
24  B12R1.8  c1ccc(cc1)COCCCO LS10749 [1,1,0,0,0,0|0,0,1]=3
25  B12R1.252  C[C@@H](COCc1ccccc1)O LS30228 [1,1,0,0,0,0|0,0,1]=3
26  B12R1.252  C[C@H](COCc1ccccc1)O LS30229 [1,1,0,0,0,0|0,0,1]=3
27  B14R1.420  c1ccc(cc1)C(=O)CCCC(=O)O LS10601 [0,2,0,0,0,0|1,0,1]=4
28  B12R2.1081  c1cc2c(nc1)C(=O)CCC2 LS40612 [1,0,0,1,0,0|1,0,0]=3
29  B12R2.1081  c1ccc2c(c1)CCC[C@@H]2N LS30071 [1,0,0,1,0,0|1,0,1]=4
30  B12R2.2028  c1ccc2c(c1)C(OC2=O)Br LS40549 [1,0,0,1,0,0|1,0,0]=3
31  B14R2.24  c1ccc(cc1)C2C(=O)NCCN2 LS40131 [0,0,0,1,0,1|2,0,0]=4
32  B14R2.68  c1ccc(cc1)[C@H]2OC[C@H](CO2)O LS30203 [0,1,0,1,0,0|0,0,2]=4
33  B10R1.11  CCOC(=O)c1[nH]ccn1 LS20562 [1,0,0,0,1,0|2,0,0]=4
34  B10R1.11  CCOC(=O)c1ccc[nH]1 LS20212 [1,0,0,0,1,0|1,0,0]=3
35  B10R1.11  CCOC(=O)c1cnoc1 LS20145 [1,0,0,0,1,0|2,0,0]=4
36  B10R1.11  CCOC(=O)c1cocn1 LS20054 [1,0,0,0,1,0|2,0,0]=4