0  B5R0.3  CCC(C)NC BB53-1672 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  CC\C(N)=N\O BB12-3467 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.3  CNC(=S)NN BB12-2784 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.3  CNC(C)CO BB12-1570 [0,0,0,0,0,0|1,0,3]=4
4  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,0,0,0,0,0|2,0,2]=4
5  B4R0.1  C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|1,0,1]=3
7  B6R0.3  NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.3  NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|3,0,0]=4
9  B6R1.2  BrC1=CNN=C1 BB12-1267 [0,0,0,1,0,0|3,0,0]=4
10  B6R1.2  CC1=CC=NN1 BB56-1939 [0,0,0,1,0,0|2,0,1]=4
11  B6R1.2  CC1=NSN=C1 BB12-1747 [0,0,0,1,0,0|2,1,0]=4
12  B3R0.1  NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4
13  B3R0.2  CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,1]=4
15  B5R0.1  CNCC(C)=O BB12-3010 [1,1,0,0,0,0|0,0,1]=3
16  B5R0.5  CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.2  O=CNNC=O BB12-1708 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|1,0,1]=4
19  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|1,0,1]=4
20  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|1,0,1]=4
21  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,2,0,0,0,0|0,0,0]=2
22  B7R0.3  CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|0,0,0]=2
23  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|1,0,1]=4
24  B7R0.5  CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,0,2]=4
25  B7R0.5  CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|0,0,2]=4
26  B7R0.10  CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|1,0,1]=4
27  B7R0.10  CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.13  CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|0,0,2]=4
29  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,2,0,0,0,0|1,0,1]=4
30  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,2,0,0,0,0|1,0,1]=4
31  B5R1.2  O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4
32  B7R1.1  CCC1=CNN=C1 BB12-3535 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.1  OCC1=COC=C1 BB12-2281 [0,1,0,1,0,0|0,0,2]=4
34  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,1,0,1,0,0|1,0,1]=4
35  B7R1.2  CC1=NNC(C)=N1 BB12-3420 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4
37  B7R1.2  O=C1CNC(=S)N1 BB20-3124 [0,1,0,1,0,0|2,0,0]=4
38  B7R1.3  CC1=CC=NC=N1 BB17-0193 [0,1,0,1,0,0|1,0,1]=4
39  B7R1.4  CC1=C(Br)SC=C1 BB56-2325 [0,1,0,1,0,0|0,1,1]=4
40  B7R1.18  NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|0,0,2]=4