0  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  CCOC(C)=N BB12-3674 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.2  CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,0|1,0,2]=4
5  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|1,0,1]=3
7  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,0|1,0,2]=4
8  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|1,0,2]=4
9  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,0|1,0,0]=2
10  B7R0.9  CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,0|2,0,1]=4
11  B7R0.9  CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|2,0,1]=4
13  B7R0.16  CC(N)C(=O)N(C)C BB12-3610 [0,1,0,0,0,0|2,0,1]=4
14  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,0|1,0,1]=3
15  B7R1.2  CC1=CC(N)=NN1 BB56-0247 [0,0,0,1,0,0|3,0,0]=4
16  B7R1.2  CC1=NNC(C)=N1 BB12-3420 [0,0,0,1,0,0|3,0,0]=4
17  B7R1.2  CC1=NOC(N)=C1 BB12-3489 [0,0,0,1,0,0|2,0,1]=4
18  B7R1.2  CC1=NSC(N)=C1 BB01-7922 [0,0,0,1,0,0|2,1,0]=4
19  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,0|1,0,0]=2
20  B7R1.2  O=C1CNC(=S)N1 BB20-3124 [0,0,0,1,0,0|3,0,0]=4
21  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,1,0|2,0,1]=4
22  B7R0.6  C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,1|0,0,2]=3
23  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,1|2,0,1]=4
24  B7R0.6  CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,1|2,0,0]=3
25  B7R0.6  CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,1|1,0,2]=4
26  B6R0.3  COC(=N)C(C)C BB12-3132 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.5  C(=O)NC(C)(C)C BB20-3385 [1,1,0,0,0,0|1,0,1]=4
28  B8R0.2  CC(C)N(C)C(=O)CCl BB12-2480 [0,2,0,0,0,0|1,0,1]=4
29  B8R0.5  CC(C)NC(=O)CC#N BB12-1368 [0,2,0,0,0,0|1,0,1]=4
30  B8R0.18  CC(=O)C(=NO)C(C)=O BB12-1907 [0,2,0,0,0,0|1,0,0]=3
31  B6R1.2  CC1=CC=NN1 BB56-1939 [1,0,0,1,0,0|2,0,0]=4
32  B8R1.3  CC1=CN=C(C)N=C1 BB17-2149 [0,0,0,1,0,1|1,0,1]=4
33  B8R1.1  CC1=CC(C=O)=NN1 BB12-3191 [0,1,0,1,0,0|2,0,0]=4
34  B8R1.1  CC1=NOC(CCl)=C1 BB55-3987 [0,1,0,1,0,0|1,0,1]=4
35  B8R1.1  COC1=CC(=O)NC1 BB12-2206 [0,1,0,1,0,0|1,0,0]=3
36  B8R1.40  O=C(CCl)NC1CC1 BB53-1318 [0,1,0,1,0,0|1,0,1]=4
37  B8R1.50  CC1=NNC(C)=C1Br BB12-3664 [0,1,0,1,0,0|2,0,0]=4
38  B8R1.50  CC1=NNC(C)=C1Cl BB55-3803 [0,1,0,1,0,0|2,0,0]=4
39  B8R1.50  CC1=NOC(C)=C1Cl BB55-4174 [0,1,0,1,0,0|1,0,1]=4