0  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,0|1,0,2]=3
2  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.2  CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,0|1,0,2]=4
4  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|1,0,1]=3
5  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|0,0,2]=3
7  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.9  CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,0|2,0,1]=4
10  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|1,0,1]=3
11  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,0|2,0,0]=3
12  B7R1.2  CC1=CC(N)=NN1 BB56-0247 [0,0,0,1,0,0|3,0,0]=4
13  B7R1.2  CC1=NN=C(O)O1 BB12-2756 [0,0,0,1,0,0|3,0,0]=4
14  B7R1.2  CC1=NN=C(O)S1 BB12-3088 [0,0,0,1,0,0|3,0,0]=4
15  B7R1.2  CC1=NOC(N)=C1 BB12-3489 [0,0,0,1,0,0|2,0,0]=3
16  B7R1.2  CC1=NOC(N)=N1 BB12-3433 [0,0,0,1,0,0|3,0,0]=4
17  B7R1.2  CC1=NSC(N)=C1 BB01-7922 [0,0,0,1,0,0|2,1,0]=4
18  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,0|2,0,0]=3
19  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,1,0|2,0,1]=4
20  B7R0.6  C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,1|1,0,2]=4
21  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,1|2,0,1]=4
22  B7R0.6  CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,1|2,0,0]=3
23  B7R0.6  CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,1|0,0,2]=3
24  B4R0.1  C\C(N)=N\O BB53-1937 [2,0,0,0,0,0|2,0,0]=4
25  B6R0.3  CC(C)\C(N)=N\O BB53-1938 [1,1,0,0,0,0|1,0,1]=4
26  B6R0.3  CN(C)C(=O)CO BB12-3698 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.3  CSC(C)C(=O)O BB12-2671 [1,1,0,0,0,0|1,0,1]=4
28  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|0,0,2]=4
29  B6R0.4  CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|0,0,2]=4
30  B6R0.5  C(=O)NC(C)(C)C BB20-3385 [1,1,0,0,0,0|1,0,1]=4
31  B8R0.9  CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,1|1,0,1]=4
32  B8R0.23  CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,1|1,0,1]=4
33  B8R0.23  CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,1|1,0,1]=4
34  B8R0.29  CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,1|0,0,2]=4
35  B8R0.5  CN(CCO)CC(=O)O BB12-1628 [0,2,0,0,0,0|1,0,1]=4
36  B8R0.18  CC(=O)C(=NO)C(C)=O BB12-1907 [0,2,0,0,0,0|2,0,0]=4
37  B8R0.18  CCC(C(=O)O)N(C)C BB12-3549 [0,2,0,0,0,0|1,0,1]=4
38  B8R0.37  CN(C)C(C)(C)C(=O)O BB12-3603 [0,2,0,0,0,0|1,0,1]=4
39  B6R1.2  CC1=CC=NN1 BB56-1939 [1,0,0,1,0,0|2,0,0]=4
40  B8R1.3  CC1=CN=C(O)N=C1 BB12-3539 [0,0,0,1,0,1|1,0,1]=4
41  B8R1.1  CC1=CC(C=O)=NN1 BB12-3191 [0,1,0,1,0,0|2,0,0]=4
42  B8R1.1  CC1=NOC(C#N)=C1 BB55-4173 [0,1,0,1,0,0|2,0,0]=4
43  B8R1.1  CC1=NOC(CCl)=C1 BB55-3987 [0,1,0,1,0,0|2,0,0]=4
44  B8R1.1  CCC1=CC(O)=NN1 BB12-3505 [0,1,0,1,0,0|2,0,0]=4
45  B8R1.1  COC1=CC(=O)NC1 BB12-2206 [0,1,0,1,0,0|1,0,0]=3
46  B8R1.50  CC1=NNC(O)=C1C BB12-3524 [0,1,0,1,0,0|2,0,0]=4
47  B8R1.50  CC1=NOC(C)=C1Cl BB55-4174 [0,1,0,1,0,0|2,0,0]=4
48  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,2|1,0,1]=4