0  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.4  CC(=O)NCCCN BB32-2735 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.4  CC(=O)NCCCO BB12-3384 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.4  CC(C)CCCCO BB12-2305 [1,0,0,0,0,0|0,0,2]=3
4  B7R0.4  CC(C)NCCCO BB55-6367 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.4  CCCCNC(C)C BB55-6366 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.4  CCCNCC(C)O BB58-2124 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.4  CCO\C=C\C(C)C BB57-4132 [1,0,0,0,0,0|1,0,2]=4
8  B9R0.7  CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,1,0,0,0,0|1,0,1]=3
9  B9R1.35  CC(=O)N1CCC(O)C1 BB58-2199 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.49  CC1CCNC(=O)CC1 BB58-4537 [0,0,0,1,0,0|3,0,0]=4
11  B7R0.6  CC(C)CNC(C)C BB12-1371 [0,0,0,0,1,0|2,0,1]=4
12  B7R0.6  CC(N)CCN(C)C BB57-2247 [0,0,0,0,1,0|2,0,0]=3
13  B7R0.6  CC(O)CNC(C)C BB58-2123 [0,0,0,0,1,0|1,0,1]=3
14  B7R0.6  CN(C)CCC(=O)O BB55-3488 [0,0,0,0,1,0|2,0,1]=4
15  B6R0.4  C=CCNC(C)C BB12-1319 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.4  CC(C)SCCO BB53-1392 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.4  CCCCC(N)=S BB31-3291 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.4  CCNCC(C)O BB12-1676 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.4  COCCC(C)=O BB58-1056 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.6  CCCCCNC BB57-3734 [2,0,0,0,0,0|1,0,1]=4
21  B8R0.8  CCCCC(N)C(C)=O BB54-3218 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.8  CN(C)C(=O)CCCCl BB12-3613 [1,1,0,0,0,0|2,0,0]=4
23  B8R0.8  CNCCC(=O)N(C)C BB31-8274 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.29  CC(C)NCC(C)(C)O BB58-2127 [0,1,0,0,1,0|1,0,1]=4
25  B10R0.13  CC(C)CC(N)C(=O)N(C)C BB57-4031 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.1  CC1=NOC(CO)C1 BB55-3949 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.1  O=C1CC(CO)CN1 BB57-1047 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.7  CC(=O)C1CCCC1 BB55-6362 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.7  CC(C)N1CCCC1 BB55-7114 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.19  CC1CCNC1(C)C BB57-7206 [1,0,0,1,0,0|1,0,1]=4
31  B8R1.22  CC1CCCCCN1 BB12-3099 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.3  CN1CCC(N)CC1 BB05-1529 [0,0,0,1,1,0|2,0,0]=4
33  B8R1.23  O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,1,1,0|2,0,0]=4
34  B8R1.51  CC1(C)CC(O)CN1 BB31-3682 [0,0,0,1,1,0|1,0,1]=4
35  B8R1.51  CC1(C)CC(O)CO1 BB58-3837 [0,0,0,1,1,0|1,0,1]=4
36  B8R1.51  CC1CCC(C)(C)N1 BB57-2455 [0,0,0,1,1,0|1,0,1]=4
37  B10R1.113  CC(=O)N1CCCC(O)C1 BB58-0084 [0,0,0,1,0,1|1,0,1]=4
38  B10R1.13  CC(=O)N1CCC(O)CC1 BB12-3386 [0,1,0,1,0,0|2,0,0]=4
39  B10R1.171  CC1(C)CCCC(CO)O1 BB58-4800 [0,1,0,1,0,0|0,0,2]=4
40  B6R0.2  CC(C)=CC(=O)O BB01-7468 [0,0,0,0,2,0|1,0,1]=4
41  B6R0.2  CC(N)CC(C)O BB58-3424 [0,0,0,0,2,0|1,0,1]=4