0  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.3  CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.3  CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.3  CN(C)C(=O)NN BB12-2766 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.3  CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|1,0,1]=3
6  B6R0.3  COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.3  COC(=O)N(C)N BB12-2783 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|1,1,1]=4
9  B6R0.3  NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,1|2,0,0]=3
12  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,1|2,0,1]=4
13  B3R0.1  NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4
14  B3R0.2  CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.1  CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.1  CNCC(C)=O BB12-3010 [1,1,0,0,0,0|0,0,1]=3
17  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,1|2,0,0]=4
18  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,1|1,0,1]=4
19  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,1|2,0,0]=4
20  B7R0.9  CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,1|1,0,0]=3
21  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,1|2,0,0]=4
22  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.5  CN(C)C(=O)CC#N BB12-1492 [0,2,0,0,0,0|2,0,0]=4
24  B7R0.5  CN(C)C(=O)CCCl BB12-1527 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.5  CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4
26  B7R0.10  CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.10  CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.10  NNC(=O)C(=O)NN BB12-1807 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.14  CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|1,0,1]=4
30  B5R1.2  O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4
31  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,1|1,0,1]=4
32  B7R1.2  CC1=NNC(C)=N1 BB12-3420 [0,0,0,1,0,1|2,0,0]=4
33  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,1|0,0,1]=3
34  B7R1.2  O=C1CNC(=S)N1 BB20-3124 [0,0,0,1,0,1|1,1,0]=4
35  B7R1.4  NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|1,0,1]=4
36  B7R0.6  C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,2|1,0,0]=3
37  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,2|1,0,0]=3
38  B7R0.6  CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,2|2,0,0]=4
39  B7R0.6  NC(=O)NNC(N)=O BB12-2767 [0,0,0,0,0,2|2,0,0]=4