0  B10R1.17  O=C\C=C\C1=CC=CC=C1 14371-10-9 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.8  NCCc1ccccc1 64-04-0 [1,0,0,0,0,0|1,0,2]=4
2  B9R1.8  O=CCC1=CC=CC=C1 122-78-1 [1,0,0,0,0,0|0,0,1]=2
3  B11R1.91  O=C(O)CCC1=CC=CC=C1 501-52-0 [0,1,0,0,0,0|0,0,2]=3
4  B11R1.91  O=C(O)\C=C\c1ccccc1 140-10-3 [0,1,0,0,0,0|0,0,0]=1
5  B11R2.1  CC1=CNC2=C1C=CC=C2 83-34-1 [0,0,0,1,0,0|2,0,0]=3
6  B11R2.20  C1=CC=C2N=CC=CC2=C1 91-22-5 [0,0,0,1,0,0|1,0,0]=2
7  B8R1.2  NCC1=CC=CC=C1 100-46-9 [2,0,0,0,0,0|1,0,1]=4
8  B8R1.2  O=CC1=CC=CC=C1 100-52-7 [2,0,0,0,0,0|0,0,0]=2
9  B8R1.2  OCC1=CC=CC=C1 100-51-6 [2,0,0,0,0,0|0,0,2]=4
10  B10R1.18  CC(=O)Oc1ccccc1 122-79-2 [1,1,0,0,0,0|1,0,0]=3
11  B10R1.18  O=C(O)CC1=CC=CC=C1 103-82-2 [1,1,0,0,0,0|0,0,1]=3
12  B10R1.66  O=C(O)\C=C\C1=CNC=N1 104-98-3 [0,1,0,0,1,0|2,0,0]=4
13  B12R1.21  O=C(O)CCC1=CC=C(O)C=C1 501-97-3 [0,2,0,0,0,0|0,0,2]=4
14  B12R1.21  O=C(O)\C=C\c1ccc(O)cc1 501-98-4 [0,2,0,0,0,0|0,0,0]=2
15  B12R1.125  O=C(O)CCC1=CC=CC=C1O 495-78-3 [0,2,0,0,0,0|0,0,2]=4
16  B12R1.43  N[C@@H](Cc1ccccc1)C(=O)O 63-91-2 [0,2,0,0,0,0|0,0,2]=4
17  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 156-06-9 [0,2,0,0,0,0|0,0,1]=3
18  B12R1.43  O=C(O)C(O)CC1=CC=CC=C1 828-01-3 [0,2,0,0,0,0|0,0,2]=4
19  B12R1.43  O=C(O)[C@H](O)CC1=CC=CC=C1 20312-36-1 [0,2,0,0,0,0|0,0,2]=4
20  B12R1.43  [C@H](O)(CC1=CC=CC=C1)C(=O)O 7326-19-4 [0,2,0,0,0,0|0,0,2]=4
21  B10R2.7  C1=CC2=C(C=C1)NC=C2 120-72-9 [1,0,0,1,0,0|1,0,0]=3