0  B13R1.42  CCOC(C=Cc1ccccc1)=O TN1624 [1,0,0,0,0,0|0,0,2]=3
1  B13R1.42  ClCCC(=O)NCc1ccccc1 T1249 [1,0,0,0,0,0|3,0,0]=4
2  B15R1.48  CCOC(=O)C(O)Cc1ccc(O)cc1 TN4021 [0,1,0,0,0,0|0,0,0]=1
3  B15R1.3960  CCOC(=O)C(=C)Cc1ccccc1Cl T4217 [0,1,0,0,0,0|1,0,1]=3
4  B13R1.47  CCOC(=O)C(=O)c1ccccc1 T20351 [0,0,0,0,1,0|0,0,2]=3
5  B13R1.47  CCOC(=O)C(O)c1ccccc1 T20321 [0,0,0,0,1,0|0,0,0]=1
6  B15R1.809  CCOC(=O)/C=C(\C)Nc1ccccc1 T20352 [0,0,0,0,0,1|2,0,1]=4
7  B12R1.27  CCC(=O)O[Hg]c1ccccc1 T34024 [2,0,0,0,0,0|2,0,0]=4
8  B12R1.27  COC(=O)/C=C/c1ccccc1 T5552 [2,0,0,0,0,0|0,0,2]=4
9  B12R1.27  COC(=O)C=Cc1ccccc1 TN6703 [2,0,0,0,0,0|0,0,2]=4
10  B12R1.27  COC(=O)CCc1ccccc1 T9513 [2,0,0,0,0,0|0,0,0]=2
11  B12R1.32  CCOC(=O)Cc1ccccc1 T19317 [2,0,0,0,0,0|0,0,2]=4
12  B12R1.43  C(=O)([C@H](N)Cc1ccccc1)O T0689 [2,0,0,0,0,0|1,0,0]=3
13  B12R1.43  N[C@@H](Cc1ccccc1)C(O)=O TN1592 [2,0,0,0,0,0|1,0,0]=3
14  B12R1.43  OC(=O)C(=O)Cc1ccccc1 T5251 [2,0,0,0,0,0|0,0,2]=4
15  B12R1.43  OC(Cc1ccccc1)C(O)=O T4455 [2,0,0,0,0,0|0,0,0]=2
16  B12R1.43  O[C@@H](Cc1ccccc1)C(O)=O T5290 [2,0,0,0,0,0|0,0,0]=2
17  B12R1.43  O[C@H](Cc1ccccc1)C(O)=O T5274 [2,0,0,0,0,0|0,0,0]=2
18  B12R1.43  [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [2,0,0,0,0,0|1,0,0]=3
19  B12R1.43  c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [2,0,0,0,0,0|1,0,0]=3
20  B14R1.156  O=C(OCCO)NCC1=CC=CC=C1 T8588 [1,1,0,0,0,0|1,0,0]=3
21  B14R1.502  CCOC(=O)/C=C/c1ccc(O)cc1 T13808 [1,1,0,0,0,0|0,0,2]=4
22  B14R1.134  COC(=O)C(Cl)Cc1ccc(Cl)cc1 T30893 [1,1,0,0,0,0|1,0,0]=3
23  B14R1.134  COC(=O)C(O)Cc1ccc(O)cc1 TN4552 [1,1,0,0,0,0|0,0,0]=2
24  B14R1.134  COC(=O)[C@@H](N)Cc1ccc(Cl)cc1 T41143 [1,1,0,0,0,0|1,0,0]=3
25  B16R1.4970  CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T15255 [0,2,0,0,0,0|1,0,0]=3
26  B16R1.4970  CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T24047 [0,2,0,0,0,0|1,0,0]=3
27  B16R1.15339  CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 T1298 [0,2,0,0,0,0|2,0,0]=4
28  B16R1.4559  CCOC(=O)C(=O)C(C#N)c1ccccc1 T29778 [0,2,0,0,0,0|0,0,2]=4
29  B16R1.13247  CCOC(=O)C(=C)C(O)c1ccccc1Cl T28178 [0,2,0,0,0,0|1,0,1]=4
30  B16R1.366  CCC(C)(C)C(=O)N(O)Cc1ccccc1 T7795 [0,2,0,0,0,0|2,0,0]=4
31  B14R2.24  OC1CCCCC1c2ccccc2 T29368 [1,0,0,1,0,0|1,0,1]=4
32  B16R3.5925  C1CN=C(N1)C2Cc3ccccc3O2 T34470 [0,0,0,2,0,0|2,0,0]=4
33  B12R1.30  CCCCC(O)c1ccccc1 T0857 [1,0,0,0,1,0|1,0,1]=4
34  B14R1.520  CCOC(C)OCCc1ccccc1 T2S0604 [1,0,0,0,0,1|1,0,1]=4
35  B14R1.520  ClCCC(=O)NCCc1ccccc1 T8604 [1,0,0,0,0,1|2,0,0]=4