0  B12R1.286  CCc1cc(ccc1O)CCN AEH [0,0,0,0,0,0|2,0,1]=3
1  B12R1.286  COc1cc(ccc1O)CC=C EOL [0,0,0,0,0,0|0,0,0]=0
2  B12R1.286  C\C=C\c1ccc(c(c1)OC)O EUG [0,0,0,0,0,0|0,0,2]=2
3  B12R1.286  C\C=C\c1ccc(c(c1)OC)O H7Y [0,0,0,0,0,0|0,0,2]=2
4  B11R1.192  c1cc(c(cc1CCN)O)O LDP [1,0,0,0,0,0|1,0,1]=3
5  B11R1.280  COc1cc(ccc1O)C=C 4M4 [1,0,0,0,0,0|0,0,0]=1
6  B11R1.280  COc1cc(ccc1O)C=O V55 [1,0,0,0,0,0|1,0,0]=2
7  B11R1.280  COc1cc(ccc1O)OO 4HM [1,0,0,0,0,0|2,0,0]=3
8  B13R1.49  COc1cc(ccc1O)C(=O)OC VXX [0,1,0,0,0,0|1,0,2]=4
9  B13R1.575  COc1cc(ccc1O)\C=C\C=O CIY [0,1,0,0,0,0|0,0,1]=2
10  B13R1.575  COc1cc(ccc1O)\C=C\CO N7I [0,1,0,0,0,0|0,0,2]=3
11  B10R1.172  COc1cccc(c1)CN SZ4 [2,0,0,0,0,0|1,0,0]=3
12  B10R1.1  c1cc(ccc1CC#N)O 3AQ [2,0,0,0,0,0|1,0,1]=4
13  B10R1.1  c1cc(ccc1CCN)O AEF [2,0,0,0,0,0|1,0,1]=4
14  B10R1.1  c1cc(ccc1CCO)O YRL [2,0,0,0,0,0|1,0,1]=4
15  B10R1.30  COC1=CC(=O)C=CC1=O MCW [2,0,0,0,0,0|1,0,1]=4
16  B10R1.30  COc1cc(ccc1O)Br 3Z7 [2,0,0,0,0,0|1,0,0]=3
17  B12R1.19  c1cc(c(cc1CC(=O)O)Cl)O 3C4 [1,1,0,0,0,0|2,0,0]=4
18  B12R1.19  c1cc(c(cc1CC(=O)O)O)O DHY [1,1,0,0,0,0|1,0,0]=3
19  B12R1.19  c1cc(c(cc1CC(=O)O)O)O HAA [1,1,0,0,0,0|1,0,0]=3
20  B12R1.367  c1cc(c(cc1[C@H](CN)O)O)O LNR [1,1,0,0,0,0|1,0,1]=4
21  B12R1.367  c1cc(c(cc1[C@H](CN)O)O)O LT4 [1,1,0,0,0,0|1,0,1]=4
22  B12R1.56  CC(=O)c1ccc(c(c1)OC)O I75 [1,1,0,0,0,0|0,0,1]=3
23  B12R1.56  COc1cc(ccc1O)C(=O)[O-] VNL [1,1,0,0,0,0|1,0,0]=3
24  B14R1.42  COc1cc(ccc1O)/C=C/C(=O)O FER [0,2,0,0,0,0|0,0,1]=3
25  B14R1.907  COC\C=C\c1ccc(c(c1)OC)O C9M [0,2,0,0,0,0|0,0,2]=4
26  B12R2.44  COc1ccc2c(c1)[nH]cn2 5OB [1,0,0,1,0,0|2,0,0]=4
27  B12R2.44  COc1ccc2c(c1)cc[nH]2 BZ3 [1,0,0,1,0,0|1,0,1]=4
28  B12R2.100  c1c[nH]c2c1cc(c(c2)O)O 3ID [1,0,0,1,0,0|1,0,0]=3