0  B12R1.8  S=C=NCCCC1=CC=CC=C1 M28287 [1,0,0,0,0,0|3,0,0]=4
1  B12R1.252  O=C(O)CCCc1ccccc1 M20554 [1,0,0,0,0,0|0,0,0]=1
2  B12R1.252  O=C([O-])CCCC1=CC=CC=C1 M12616 [1,0,0,0,0,0|0,0,1]=2
3  B14R1.163  COC(=O)CNC(=O)c1ccccc1 M29495 [0,1,0,0,0,0|1,0,1]=3
4  B14R1.520  CCOC(C)OCCC1=CC=CC=C1 M17723 [0,1,0,0,0,0|2,0,1]=4
5  B14R1.520  O=C(CCCl)NCCc1ccccc1 M22247 [0,1,0,0,0,0|2,0,0]=3
6  B14R2.4514  CN1C(=O)CC[C@H]1C2=CC=CN=C2 M14630 [0,0,0,1,0,0|2,0,0]=3
7  B12R1.27  COC(=O)CCc1ccccc1 M28729 [0,0,0,0,1,0|0,0,0]=1
8  B12R1.27  COC(=O)\C=C\c1ccccc1 M20228 [0,0,0,0,1,0|0,0,2]=3
9  B13R1.45  O=C(O)CNC(=O)c1ccccc1 M19608 [1,1,0,0,0,0|1,0,1]=4
10  B13R1.45  O=C(O)CNC(=O)c1ccccc1 M21613 [1,1,0,0,0,0|1,0,1]=4
11  B13R1.513  CC(=O)NCCc1ccc(O)cc1 M28125 [1,1,0,0,0,0|1,0,0]=3
12  B13R1.14  COC(=O)\C=C\c1ccc(O)cc1 M18184 [0,1,0,0,1,0|0,0,2]=4
13  B13R1.14  COC(=O)\C=C\c1ccc(O)cc1 M18519 [0,1,0,0,1,0|0,0,2]=4
14  B13R2.10  OC1=NN(c2ccccc2)CC1 M27571 [1,0,0,1,0,0|2,0,0]=4
15  B11R1.91  CC(=O)CCC1=CC=CC=C1 M18315 [1,0,0,0,1,0|0,0,0]=2
16  B11R1.91  CC(=O)COc1ccccc1 M27826 [1,0,0,0,1,0|1,0,0]=3
17  B11R1.91  CC(=O)NCc1ccccc1 M22662 [1,0,0,0,1,0|1,0,0]=3
18  B11R1.91  CC(=O)OCc1ccccc1 M20248 [1,0,0,0,1,0|1,0,0]=3
19  B11R1.91  CC(=O)O[Hg]C1=CC=CC=C1 M19512 [1,0,0,0,1,0|2,0,0]=4
20  B11R1.91  CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,0,0,0,1,0|0,0,2]=4
21  B11R1.91  NC(=O)NCc1ccccc1 M27376 [1,0,0,0,1,0|2,0,0]=4
22  B11R1.91  O=C(O)CCc1ccccc1 M18665 [1,0,0,0,1,0|0,0,0]=2
23  B11R1.91  O=C(O)\C=C\c1ccccc1 M17997 [1,0,0,0,1,0|0,0,2]=4
24  B11R1.91  O=C(O)\C=C\c1ccccc1 M20349 [1,0,0,0,1,0|0,0,2]=4