0  B12R1.21  O=C(O)CCC1=CC=C(O)C=C1 501-97-3 [0,0,0,0,0,0|1,0,0]=1
1  B12R1.21  O=C(O)\C=C\c1ccc(O)cc1 501-98-4 [0,0,0,0,0,0|1,0,2]=3
2  B11R1.91  O=C(O)CCC1=CC=CC=C1 501-52-0 [1,0,0,0,0,0|1,0,0]=2
3  B11R1.91  O=C(O)\C=C\c1ccccc1 140-10-3 [1,0,0,0,0,0|1,0,2]=4
4  B13R1.133  N[C@@H](Cc1ccc(O)cc1)C(=O)O 60-18-4 [0,1,0,0,0,0|1,0,0]=2
5  B13R1.133  O=C(O)C(=O)CC1=CC=C(O)C=C1 156-39-8 [0,1,0,0,0,0|1,0,1]=3
6  B13R1.511  O=C(O)\C=C\c1ccc(O)c(O)c1 331-39-5 [0,1,0,0,0,0|1,0,2]=4
7  B11R1.20  O=C(O)Cc1ccc(O)cc1 156-38-7 [0,0,0,0,1,0|1,0,0]=2
8  B10R1.1  NCCc1ccc(O)cc1 51-67-2 [2,0,0,0,0,0|1,0,0]=3
9  B10R1.17  O=C\C=C\C1=CC=CC=C1 14371-10-9 [2,0,0,0,0,0|0,0,2]=4
10  B12R1.16  CNCC(O)c1ccc(O)cc1 94-07-5 [1,1,0,0,0,0|1,0,0]=3
11  B12R1.43  N[C@@H](Cc1ccccc1)C(=O)O 63-91-2 [1,1,0,0,0,0|1,0,0]=3
12  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 156-06-9 [1,1,0,0,0,0|1,0,1]=4
13  B12R1.43  O=C(O)C(O)CC1=CC=CC=C1 828-01-3 [1,1,0,0,0,0|1,0,0]=3
14  B12R1.43  O=C(O)[C@H](O)CC1=CC=CC=C1 20312-36-1 [1,1,0,0,0,0|1,0,0]=3
15  B12R1.43  [C@H](O)(CC1=CC=CC=C1)C(=O)O 7326-19-4 [1,1,0,0,0,0|1,0,0]=3
16  B12R1.125  O=C(O)CCC1=CC=CC=C1O 495-78-3 [1,1,0,0,0,0|1,0,0]=3
17  B12R1.19  O=C(O)CC1=CC(O)=C(O)C=C1 102-32-9 [0,1,0,0,1,0|1,0,0]=3
18  B12R1.20  N[C@H](C(=O)O)c1ccc(O)cc1 32462-30-9 [0,1,0,0,1,0|1,0,0]=3
19  B12R1.20  O=C(O)C(O)C1=CC=C(O)C=C1 1198-84-1 [0,1,0,0,1,0|1,0,0]=3
20  B14R1.686  NC(CC1=CC(Cl)=C(O)C=C1)C(=O)O 7423-93-0 [0,2,0,0,0,0|1,0,0]=3
21  B14R1.686  N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 59-92-7 [0,2,0,0,0,0|1,0,0]=3
22  B10R1.18  CC(=O)Oc1ccccc1 122-79-2 [1,0,0,0,1,0|1,0,0]=3
23  B10R1.18  O=C(O)CC1=CC=CC=C1 103-82-2 [1,0,0,0,1,0|1,0,0]=3
24  B10R1.13  Nc1ccc(C(=O)O)cc1 150-13-0 [0,0,0,0,2,0|2,0,0]=4
25  B10R1.13  O=C(O)C1=CC=C(O)C=C1 99-96-7 [0,0,0,0,2,0|1,0,0]=3
26  B10R1.13  O=C(O)C1=CN=C(O)C=C1 5006-66-6 [0,0,0,0,2,0|2,0,0]=4
27  B10R1.13  O=[N+]([O-])C1=CC=C(O)C=C1 100-02-7 [0,0,0,0,2,0|2,0,0]=4