0  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,0,0,0,0,0|2,0,2]=4
1  B12R1.43  N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [0,0,0,0,0,0|2,0,0]=2
2  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,0,0,0,0,0|2,0,1]=3
3  B12R1.43  [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,0,0,0,0,0|1,0,2]=3
4  B12R1.43  [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,0,0,0,0,0|2,0,2]=4
5  B12R1.43  [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,0,0,0,0,0|2,0,2]=4
6  B11R1.91  O=C(O)CCC1=CC=CC=C1 DB02024 [1,0,0,0,0,0|1,0,2]=4
7  B13R1.133  C(C1=CC=C([O-])C=C1)=C(/F)C(=O)O DB02384 [0,1,0,0,0,0|2,0,0]=3
8  B13R1.133  O=C(O)C(=O)CC1=CC=C(O)C=C1 DB07718 [0,1,0,0,0,0|2,0,1]=4
9  B13R1.135  [C@H](N)(CC1=CC=CC=C1)C(=O)CCl DB08374 [0,1,0,0,0,0|1,0,2]=4
10  B13R1.135  [C@H](N)(CC1=CC=CC=C1)C(=O)OC DB06838 [0,1,0,0,0,0|1,0,2]=4
11  B13R1.202  [C@@H](C)(CC1=CC=CC=C1O)C(=O)O DB01662 [0,1,0,0,0,0|1,0,2]=4
12  B13R1.418  [C@@H](CI)(CC1=CC=CC=C1)C(=O)O DB03441 [0,1,0,0,0,0|1,0,2]=4
13  B13R1.418  [C@H](CS)(CC1=CC=CC=C1)C(=O)O DB02953 [0,1,0,0,0,0|1,0,2]=4
14  B13R2.435  NC(=[NH2+])C1=CC2=C(C=CC=C2)S1 DB04446 [0,0,0,1,0,0|3,0,0]=4
15  B13R2.435  O=C(O)C1=NC2=CC=CC=C2N1 DB03028 [0,0,0,1,0,0|3,0,0]=4
16  B11R1.36  O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,0,0,0,1,0|2,0,0]=3
17  B11R1.36  O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,0,0,0,1,0|2,0,1]=4
18  B11R1.36  O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,0,0,0,1,0|2,0,1]=4
19  B13R1.351  [C@H](N)(CCC1=CC=CC=C1)C(C)=O DB07913 [0,0,0,0,0,1|1,0,2]=4
20  B10R1.17  O=CNCC1=CC=CC=C1 DB02481 [2,0,0,0,0,0|1,0,1]=4
21  B10R1.17  O=COCC1=CC=CC=C1 DB04569 [2,0,0,0,0,0|1,0,1]=4
22  B10R1.17  O=C\C=C\C1=CC=CC=C1 DB14184 [2,0,0,0,0,0|0,0,0]=2
23  B10R1.17  OC\C=C\C1=CC=CC=C1 DB14186 [2,0,0,0,0,0|0,0,2]=4
24  B12R1.34  [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [1,1,0,0,0,0|1,0,1]=4
25  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [1,1,0,0,0,0|1,0,0]=3
26  B12R1.125  O=C(O)\C=C\C1=CC=CC=C1O DB01650 [1,1,0,0,0,0|1,0,0]=3
27  B12R1.253  C[C@@](O)(C(=O)O)C1=CC=CC=C1 DB07381 [0,1,0,0,1,0|1,0,1]=4
28  B14R1.161  O=C(O)C(=O)\C=C\C1=CC=CC=C1O DB08636 [0,1,0,0,0,1|2,0,0]=4
29  B14R1.415  [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O DB08508 [0,1,0,0,0,1|1,0,1]=4
30  B12R2.18  O=C1NC2=CC=CC=C2C1=O DB02095 [1,0,0,1,0,0|2,0,0]=4
31  B14R2.781  O=C(O)C1=NC2=C(C=CC=C2)C=C1 DB02428 [0,0,0,1,0,1|2,0,0]=4