0  B8R0.18  CN[C@@H](C(=O)O)C(C)C Z5749 [1,0,0,0,0,0|2,0,1]=4
1  B8R0.18  CN[C@H](C(=O)O)[C@@H](C)O Z5815 [1,0,0,0,0,0|1,0,2]=4
2  B8R0.36  CCC(C)(CC)C(=O)O 0222AB [1,0,0,0,0,0|1,0,1]=3
3  B8R0.36  CCC(N)(CC)C(=O)O V9173 [1,0,0,0,0,0|1,0,1]=3
4  B8R0.37  C=C(Cl)C(C)(C)C(=O)O 2396AL [1,0,0,0,0,0|2,0,1]=4
5  B8R0.37  CC(C)(C(N)=O)C(=O)O 9716AC [1,0,0,0,0,0|2,0,0]=3
6  B8R0.37  CC(C)C(C)(O)C(=O)O 4613AB [1,0,0,0,0,0|1,0,1]=3
7  B10R1.291  CC(=O)C1(Cl)CCOC1=O 9391AD [0,0,0,1,0,0|1,0,0]=2
8  B10R1.291  CC(=O)C1(F)CCOC1=O 7061AE [0,0,0,1,0,0|1,0,0]=2
9  B7R0.15  CCC(OC)C(=O)O 8292AB [2,0,0,0,0,0|1,0,0]=3
10  B7R0.15  CN[C@H](CO)C(=O)O 0556AP [2,0,0,0,0,0|2,0,0]=4
11  B7R0.16  CC(=O)C(Br)C(C)=O 9608AD [2,0,0,0,0,0|2,0,0]=4
12  B7R0.16  CC(C(=O)O)N(C)C 5353AD [2,0,0,0,0,0|2,0,0]=4
13  B7R0.13  CC(C)(CN)C(=O)O 2121AJ [2,0,0,0,0,0|2,0,0]=4
14  B7R0.13  CCC(C)(N)C(=O)O V6829 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.13  CNC(C)(C)C(=O)O 5084AH [2,0,0,0,0,0|2,0,0]=4
16  B9R0.29  COC(=O)C(OC)C(C)=O 2600AC [1,1,0,0,0,0|1,0,0]=3
17  B9R0.54  CC(C)C(C(=O)O)C(=O)O W7278 [1,1,0,0,0,0|1,0,0]=3
18  B9R0.54  CC(C)C(C(=O)O)N(C)N 6879AC [1,1,0,0,0,0|2,0,0]=4
19  B9R0.54  CC(C)[C@H](C(=O)O)N(C)C 8546AH [1,1,0,0,0,0|2,0,0]=4
20  B9R1.41  NC(=O)C1CCCC1=O 6858AE [1,0,0,1,0,0|1,0,0]=3
21  B9R1.41  NC1CCCC1C(=O)O 3422AA [1,0,0,1,0,0|1,0,1]=4
22  B9R1.41  O=C(O)C1CSCC1=O 3411AD [1,0,0,1,0,0|1,0,0]=3
23  B9R1.168  CC(=O)C1(C(=O)O)CC1 X5135 [1,0,0,1,0,0|0,0,0]=2
24  B9R1.168  CC(=O)C1(C(C)=O)CC1 1475AL [1,0,0,1,0,0|1,0,0]=3
25  B9R1.163  CC1(C(=O)O)CCCC1 4855AE [1,0,0,1,0,0|1,0,1]=4
26  B9R1.163  CC1(C(=O)O)CCCN1 6631AH [1,0,0,1,0,0|2,0,0]=4
27  B9R1.163  CC1(C(=O)O)CCCO1 9217AB [1,0,0,1,0,0|2,0,0]=4
28  B9R1.163  O=C(O)C1(O)CCCC1 Z4267 [1,0,0,1,0,0|0,0,1]=3
29  B9R1.106  C[C@]1(O)C(=O)OC[C@H]1O 9656AA [1,0,0,1,0,0|0,0,2]=4
30  B9R0.11  CC(=O)NC(C)(C)C(=O)O 5143AE [1,0,0,0,0,1|1,0,0]=3
31  B9R0.11  CC(C)CC(C)(O)C(=O)O 4614AB [1,0,0,0,0,1|1,0,1]=4