0  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.1  CCOC(C)=N BB12-3674 [1,0,0,0,0,0|1,0,0]=2
3  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  CNCC(C)O BB12-1288 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.2  CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,0|2,0,0]=3
6  B7R0.2  CC(CO)CN(C)C BB12-3644 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,0|2,0,0]=3
10  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|2,0,0]=3
11  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,0|2,0,0]=3
12  B7R0.9  CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,0|3,0,0]=4
13  B7R0.9  CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,0|1,0,0]=2
14  B7R0.9  CN(C)CC(C)(C)N BB12-1286 [0,1,0,0,0,0|3,0,0]=4
15  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|3,0,0]=4
16  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,0|2,0,1]=4
17  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,1,0|2,0,0]=3
18  B7R0.6  C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,1|0,0,2]=3
19  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,1|2,0,1]=4
20  B7R0.6  CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,1|2,0,1]=4
21  B7R0.6  CC(C)CNC(C)C BB12-1371 [0,0,0,0,0,1|2,0,1]=4
22  B7R0.6  CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,1|1,1,0]=3
23  B6R0.1  C#CC(=O)OCC BB53-1426 [1,1,0,0,0,0|0,0,1]=3
24  B6R0.1  CCNC(C)CO BB12-1659 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.1  CNC(=O)CCCl BB12-1619 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.1  CNC(=O)CCN BB12-1715 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.1  CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.1  COC(=O)CCN BB12-2761 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.1  COC(=O)CCO BB12-1300 [1,1,0,0,0,0|2,0,0]=4
30  B6R0.3  COC(=N)C(C)C BB12-3132 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.4  C=CCNC(C)C BB12-1319 [1,1,0,0,0,0|1,0,1]=4
32  B6R0.4  CC(C)CN=C=O BB01-8145 [1,1,0,0,0,0|1,0,1]=4
33  B6R0.4  CC(C)SCCCl BB53-1373 [1,1,0,0,0,0|0,1,1]=4
34  B6R0.4  CC(C)SCCN BB53-1544 [1,1,0,0,0,0|0,1,1]=4
35  B6R0.4  CC(C)SCCO BB53-1392 [1,1,0,0,0,0|0,1,1]=4
36  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,1,0]=4
37  B6R0.4  CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|2,0,0]=4
38  B6R0.4  COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|2,0,0]=4
39  B6R0.5  C(=O)NC(C)(C)C BB20-3385 [1,1,0,0,0,0|1,0,0]=3
40  B6R0.5  COCC(C)(C)N BB53-1697 [1,1,0,0,0,0|2,0,0]=4
41  B8R0.29  CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,1|2,0,0]=4
42  B8R0.2  CC(C)N(C)C(=O)CCl BB12-2480 [0,2,0,0,0,0|1,0,0]=3
43  B8R0.5  CC(C)NC(=O)CC#N BB12-1368 [0,2,0,0,0,0|1,0,0]=3
44  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [0,2,0,0,0,0|2,0,0]=4
45  B8R0.24  C=CC(=O)NC(C)(C)C BB12-2819 [0,2,0,0,0,0|1,0,1]=4
46  B6R1.3  CC#CC1CC1 BB12-2979 [1,0,0,1,0,0|1,0,1]=4
47  B8R1.51  CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,0,1|2,0,0]=4
48  B8R1.51  CC1(C)COC(=O)N1 BB12-2312 [0,0,0,1,0,1|1,0,0]=3
49  B8R1.40  O=C(CCl)NC1CC1 BB53-1318 [0,1,0,1,0,0|1,0,0]=3