0  B8R0.9  CCN(C)CCC(=O)O BB12-3650 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.9  CCS(=O)CCC(=O)O BB12-3269 [0,0,0,0,0,0|3,0,0]=3
2  B8R0.9  NNC(=O)CCC(N)=O BB12-2408 [0,0,0,0,0,0|3,0,0]=3
3  B7R0.3  CCCCC(=O)NN BB12-2550 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.3  CNCCC(=O)NC BB12-1428 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.3  COCCC(=O)NN BB20-4502 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.4  CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|3,0,0]=4
7  B7R0.6  C=C(C)COC(C)=O BB12-2984 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [1,0,0,0,0,0|2,0,0]=3
9  B7R0.6  CC(C)SCC(=O)O BB12-3365 [1,0,0,0,0,0|2,0,1]=4
10  B9R0.21  CNC(=O)CCC(C)(C)N BB12-1573 [0,1,0,0,0,0|2,0,1]=4
11  B9R0.23  COC(=O)C(C)CN(C)C BB12-3648 [0,1,0,0,0,0|2,0,0]=3
12  B9R0.24  CCC(=O)NNC(=O)CCl BB12-2775 [0,1,0,0,0,0|3,0,0]=4
13  B9R0.24  NNC(=O)CCC(=O)NN BB12-2604 [0,1,0,0,0,0|3,0,0]=4
14  B9R0.64  CCS(=O)(=O)CCC(=O)O BB12-3368 [0,1,0,0,0,0|3,0,0]=4
15  B9R1.10  O=C1CCS(=O)(=O)CC1 BB11-0195 [0,0,0,1,0,0|3,0,0]=4
16  B9R1.35  O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,1,0,0|1,1,0]=3
17  B9R1.49  CN1CCCC(=O)CC1 BB12-1456 [0,0,0,1,0,0|3,0,0]=4
18  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,0,0,0,1,0|3,0,0]=4
19  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,0,0,0,1,0|2,0,1]=4
20  B6R0.1  CNC(=O)CCCl BB12-1619 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.1  CNC(=O)CCN BB12-1715 [2,0,0,0,0,0|2,0,0]=4
22  B6R0.1  CNC(=O)CCO BB12-3660 [2,0,0,0,0,0|1,0,1]=4
23  B6R0.1  COC(=O)CCN BB12-2761 [2,0,0,0,0,0|1,0,0]=3
24  B6R0.1  COC(=O)CCO BB12-1300 [2,0,0,0,0,0|0,0,1]=3
25  B6R0.4  CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,1]=4
26  B6R0.4  CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|1,0,0]=3
27  B6R0.4  COCCC(=O)Cl BB20-1617 [2,0,0,0,0,0|1,0,0]=3
28  B8R0.1  CCOC(=O)CCC#N BB12-3513 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.3  COC(=O)C(C)N=C=O BB01-6534 [1,1,0,0,0,0|1,0,1]=4
30  B8R0.23  CC(CC(=O)O)N(C)C BB12-1308 [1,1,0,0,0,0|2,0,0]=4
31  B8R0.23  CC(CN(C)C)C(=O)O BB12-1434 [1,1,0,0,0,0|2,0,0]=4
32  B8R0.29  CC(C)(N)CCC(=O)O BB12-1634 [1,1,0,0,0,0|1,0,1]=4
33  B10R0.26  CCOC(=O)CC(C)N(C)C BB12-3647 [0,2,0,0,0,0|2,0,0]=4
34  B8R1.1  COC1=CC(=O)NC1 BB12-2206 [1,0,0,1,0,0|2,0,0]=4
35  B8R1.3  O=C1CCS(=O)CC1 BB53-1536 [1,0,0,1,0,0|2,0,0]=4
36  B8R1.22  O=C1CCOCCN1 BB20-4217 [1,0,0,1,0,0|2,0,0]=4
37  B8R1.38  COC(=O)C1CCC1 BB12-2967 [1,0,0,1,0,0|0,0,1]=3
38  B8R1.50  CN1C(=O)CNC1=O BB26-0158 [1,0,0,1,0,0|2,0,0]=4
39  B10R1.58  CN1CC(C(=O)Cl)CC1=O BB12-3015 [0,1,0,1,0,0|2,0,0]=4
40  B10R1.58  CN1CC(C(=O)O)CC1=O BB20-4886 [0,1,0,1,0,0|2,0,0]=4
41  B10R1.58  CN1CC(C(N)=O)CC1=O BB56-2316 [0,1,0,1,0,0|2,0,0]=4
42  B6R0.2  CC(N)CC(=O)O BB12-2890 [1,0,0,0,1,0|1,0,1]=4
43  B6R0.3  COC(=O)N(C)N BB12-2783 [0,0,0,0,2,0|2,0,0]=4