0  B9R0.47  NCCCC[C@H](N)C(=O)O 4157-1-S6 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.47  NCCCC[C@H](N)C(=O)O 4157-1-X0 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.7  CCCCCCC(=O)O 2121-1-14 [1,0,0,0,0,0|1,0,2]=4
3  B8R0.7  O=C(O)CCCCCBr 2121-9-X0 [1,0,0,0,0,0|2,0,1]=4
4  B10R0.83  COC(=O)[C@@H](N)CCCCN 4158-5-S01 [0,1,0,0,0,0|2,0,1]=4
5  B10R1.23  N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,0,0,1,0,0|1,0,2]=4
6  B10R1.113  O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,0,0,1,0,0|2,0,0]=3
7  B10R1.363  NC1(C(=O)O)CCCCC1 4257-1-17 [0,0,0,1,0,0|1,0,2]=4
8  B7R0.1  C=CCCCCC=C 1300-1-43 [2,0,0,0,0,0|2,0,0]=4
9  B7R0.4  C#CCCCC(=O)O 2521-1-X0 [2,0,0,0,0,0|0,0,2]=4
10  B7R0.4  NCCCCC(=O)O 4157-1-37 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.4  O=C(O)CCCCBr 2121-9-X2 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.5  C=CC[C@H](N)C(=O)O 4357-1-X0 [2,0,0,0,0,0|0,0,0]=2
13  B7R0.5  CCC[C@H](N)C(=O)O 4157-1-SN [2,0,0,0,0,0|0,0,1]=3
14  B7R0.5  COCC(Cl)C(=O)O 2121-5-X1 [2,0,0,0,0,0|1,1,0]=4
15  B7R0.5  COC[C@H](N)C(=O)O 4157-5-S0 [2,0,0,0,0,0|0,1,0]=3
16  B7R0.5  N[C@@H](CCO)C(=O)O 4157-1-SQ [2,0,0,0,0,0|1,0,0]=3
17  B9R0.2  C=CCCCCOC(C)=O 2324-1-06 [1,1,0,0,0,0|2,0,0]=4
18  B9R0.55  CC(=O)CCCCC(=O)O 2121-1-X0 [1,1,0,0,0,0|1,0,1]=4
19  B11R0.29  N=C(N)NCCC[C@H](N)C(=O)O 4157-1-X6 [0,2,0,0,0,0|2,0,0]=4
20  B11R0.29  N=C(N)NCCC[C@H](N)C(=O)O 4157-5-S7 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.6  O=C(O)C1CSCCN1 8H21-1-Y5 [1,0,0,1,0,0|1,0,1]=4
22  B9R1.13  O=C(O)CC1=CC=CS1 6H21-1-X5 [1,0,0,1,0,0|0,0,2]=4
23  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [1,0,0,1,0,0|1,0,0]=3
24  B9R1.35  O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [1,0,0,1,0,0|2,0,0]=4
25  B9R1.35  O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [1,0,0,1,0,0|1,0,0]=3
26  B9R1.69  NC1CCC(=O)NC1=O 4H48-5-0E [1,0,0,1,0,0|2,0,0]=4
27  B9R1.110  NC(C(=O)O)C1CCC1 4257-1-07 [1,0,0,1,0,0|0,0,2]=4
28  B11R1.77  NC(CC(=O)O)C1=CC=CS1 8H66-1-5J [0,0,0,1,0,1|0,0,2]=4
29  B11R1.35  N[C@@H](CC1=CNC=N1)C(=O)O 4H57-1-S0 [0,1,0,1,0,0|2,0,0]=4
30  B11R1.35  N[C@H](CC1=CC=CO1)C(=O)O 4H57-1-49 [0,1,0,1,0,0|0,1,1]=4