0  B9R0.56  CC(=O)OCC[N+](C)(C)C 7814AF [0,0,0,0,0,0|0,0,0]=0
1  B9R0.56  CC(=O)OCC[N+](C)(C)C X7331 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.56  CC(=O)SCC[N+](C)(C)C 7815AF [0,0,0,0,0,0|0,1,0]=1
3  B8R0.28  CC(=O)CCCN(C)C Y9101 [1,0,0,0,0,0|1,0,1]=3
4  B8R0.28  CC(=O)CCOC(C)C 6552AL [1,0,0,0,0,0|3,0,0]=4
5  B8R0.28  CC(C)CCOC(=O)Cl 6828AJ [1,0,0,0,0,0|2,0,0]=3
6  B10R0.60  COC(=O)CCNC(C)(C)C 7318AD [0,1,0,0,0,0|3,0,0]=4
7  B10R0.113  C[N+](C)(C)CCOP(=O)([O-])[O-] 8825AL [0,1,0,0,0,0|2,0,0]=3
8  B10R1.55  CC(C)(C)C1CCC(=O)C1 5616AE [0,0,0,1,0,0|2,0,0]=3
9  B10R1.55  CC(C)(C)[C@H]1COC(=O)N1 N451 [0,0,0,1,0,0|2,0,0]=3
10  B8R0.29  CC(C)(C)CCC(=O)O 8824AC [0,0,0,0,1,0|2,0,0]=3
11  B8R0.29  CC(C)(N)CCC(=O)O 0201AE [0,0,0,0,1,0|3,0,0]=4
12  B8R0.29  CC(C)CCC(C)(C)C 8138AF [0,0,0,0,1,0|2,0,1]=4
13  B7R0.4  C=CCCOC(C)=O 3121AL [2,0,0,0,0,0|1,0,1]=4
14  B7R0.4  CCCCNC(C)=O 7541AF [2,0,0,0,0,0|2,0,0]=4
15  B7R0.8  CCCCC(C)(C)C 5136AL [2,0,0,0,0,0|1,0,1]=4
16  B7R0.8  CNCCC(C)(C)C 9066AC [2,0,0,0,0,0|2,0,0]=4
17  B9R0.1  C=CC(=O)OCCC(C)C O145 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.1  CN(C)CCNC(=O)CN 9486AC [1,1,0,0,0,0|1,0,1]=4
19  B9R0.53  CC(=O)OC(C)CC(C)C 7965AF [1,1,0,0,0,0|1,0,0]=3
20  B9R0.10  CC(=O)CC(=O)C(C)(C)C 1341AC [0,1,0,0,1,0|1,0,1]=4
21  B9R0.10  CC(C)(C)C(N)CC(=O)O 0472AB [0,1,0,0,1,0|2,0,0]=4
22  B9R0.57  CC(C)(C)CC(N)C(=O)O X5326 [0,1,0,0,1,0|2,0,0]=4
23  B11R0.180  CCCC(=O)SCC[N+](C)(C)C 8144AF [0,2,0,0,0,0|0,1,0]=3
24  B9R1.49  CN1CCCC(=O)CC1 W4017 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.53  CC(=O)OC1CC(=O)C1 9793AB [1,0,0,1,0,0|2,0,0]=4
26  B11R1.155  CC(C)(C)C1CCCC(=O)C1 3681AF [0,0,0,1,0,1|2,0,0]=4
27  B7R0.6  C=C(C)CCC(C)C 5371AL [1,0,0,0,1,0|2,0,0]=4
28  B7R0.6  CC(=O)CCN(C)C 8474AD [1,0,0,0,1,0|0,0,1]=3
29  B7R0.9  CC(=O)CC(C)(C)N 7542AF [0,0,0,0,2,0|2,0,0]=4