0  B8R1.8  CNCc1nccs1 LS21077 [1,0,0,0,0,0|2,1,0]=4
1  B8R1.8  c1cc(sc1)CC#N LS21115 [1,0,0,0,0,0|1,1,1]=4
2  B8R1.8  c1cc(sc1)CCN LS21113 [1,0,0,0,0,0|1,1,0]=3
3  B8R1.8  c1cc(sc1)CCO LS21112 [1,0,0,0,0,0|1,1,0]=3
4  B10R1.11  CCOC(=O)c1ccc[nH]1 LS20212 [0,1,0,0,0,0|2,0,1]=4
5  B10R1.16  CCCCn1cc[n+](c1)C LS40555 [0,1,0,0,0,0|3,0,0]=4
6  B10R2.7  c1cn2c(n1)NCCC2 LS40851 [0,0,0,1,0,0|3,0,0]=4
7  B10R2.7  c1cnn2c1NCCC2 LS40850 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.17  c1ccc(cc1)NCCN LS10740 [0,0,0,0,0,1|3,0,0]=4
9  B7R1.1  CCc1[nH]ccn1 LS20052 [2,0,0,0,0,0|2,0,0]=4
10  B7R1.1  c1cc(sc1)CO LS20642 [2,0,0,0,0,0|1,1,0]=4
11  B9R0.46  CCOCCOC(=O)C=C LS41687 [0,1,1,0,0,0|1,0,1]=4
12  B9R1.13  c1cc(oc1)CC(=O)O LS40055 [1,1,0,0,0,0|1,0,1]=4
13  B11R1.1  CCCCc1ccc(cc1)Br LS11195 [0,1,0,0,0,1|1,0,0]=3
14  B11R1.1  CNCCc1ccc(cc1)O LS10122 [0,1,0,0,0,1|2,0,0]=4
15  B11R1.16  c1ccc(cc1)[C@@H](CCCl)O LS30119 [0,1,0,0,0,1|2,0,0]=4
16  B11R1.28  c1ccc(cc1)CCCCO LS10545 [0,1,0,0,0,1|1,0,0]=3
17  B11R1.28  c1ccc(cc1)COCCO LS10494 [0,1,0,0,0,1|2,0,0]=4
18  B11R1.28  c1cnccc1CCCCCl LS21209 [0,1,0,0,0,1|1,0,0]=3
19  B11R1.91  CC(=O)CCc1ccccc1 LS10597 [0,1,0,0,0,1|1,0,1]=4
20  B11R1.91  CC(CCc1ccccc1)N LS10632 [0,1,0,0,0,1|1,0,0]=3
21  B9R2.2  c1c[nH]nc1C2CC2 LS20814 [1,0,0,1,0,0|2,0,0]=4
22  B11R2.1  c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,1|2,0,0]=4
23  B11R2.1  c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,1|2,0,0]=4
24  B11R2.20  c1cc2c(nc1)CCCC2 LS40266 [0,0,0,1,0,1|1,0,0]=3
25  B11R2.20  c1ccc2c(c1)CCCC2 LS40429 [0,0,0,1,0,1|1,0,0]=3
26  B11R2.10  C1CCc2c(nc(s2)N)C1 LS41610 [0,1,0,1,0,0|1,1,0]=4
27  B11R2.36  c1cn2c(n1)CCC(C2)O LS40981 [0,1,0,1,0,0|2,0,0]=4