0  B4R0.1  CC(=O)NN BB01-6190 [1,0,0,0,0,0|2,0,0]=3
1  B4R0.1  COC(=S)[S-] BB57-1615 [1,0,0,0,0,0|1,1,1]=4
2  B4R0.1  NC(=O)CO BB58-4485 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  NC(=O)NO BB58-1684 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.1  CCNC(=O)CCl BB20-1611 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.1  CCOC(=O)NN BB17-2384 [0,1,0,0,0,0|1,0,2]=4
6  B6R0.1  CNC(=O)CCN BB32-2825 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.3  CON(C)C(C)=O BB20-1414 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.3  C\C=C(/Br)C(=O)O BB58-4520 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.4  C=CCNC(N)=S BB17-0009 [0,1,0,0,0,0|2,1,0]=4
11  B6R0.4  CC(=O)NCCN BB20-2208 [0,1,0,0,0,0|1,0,2]=4
12  B6R0.4  O=CNCC(=O)O BB01-7318 [0,1,0,0,0,0|3,0,0]=4
13  B6R1.2  CC1=CC=NN1 BB01-4929 [0,0,0,1,0,0|3,0,0]=4
14  B6R1.2  CC1=NC=CN1 BB01-6021 [0,0,0,1,0,0|2,0,0]=3
15  B6R1.2  CN1C=CC=N1 BB01-6294 [0,0,0,1,0,0|3,0,0]=4
16  B6R1.2  NC1=NC=CN1 BB58-0785 [0,0,0,1,0,0|3,0,0]=4
17  B6R1.2  O=C1CCSC1 BB01-8335 [0,0,0,1,0,0|2,0,1]=4
18  B6R1.11  CC(=O)C1CC1 BB01-6094 [0,0,0,1,0,0|1,0,2]=4
19  B3R0.2  CB(O)O BB55-7799 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.3  C#CC(=O)OC BB53-1265 [1,1,0,0,0,0|0,0,2]=4
21  B5R0.3  CCC(=O)NN BB55-2154 [1,1,0,0,0,0|2,0,0]=4
22  B5R0.3  CNC(=O)CCl BB20-1612 [1,1,0,0,0,0|1,0,1]=4
23  B5R0.3  CNC(=O)CN BB58-0122 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.3  COC(=O)CN BB17-0807 [1,1,0,0,0,0|0,0,1]=3
25  B5R0.3  COC(=O)NN BB17-2415 [1,1,0,0,0,0|1,0,1]=4
26  B7R0.7  CCOC(=O)CNN BB01-4606 [0,2,0,0,0,0|0,0,2]=4
27  B7R0.6  CC(=O)NCC(=O)O BB01-2573 [0,2,0,0,0,0|1,0,1]=4
28  B7R1.1  NCC1=CC=CS1 BB01-5532 [0,1,0,1,0,0|1,1,0]=4
29  B7R1.1  OCC1=NC=CS1 BB17-2991 [0,1,0,1,0,0|1,1,0]=4
30  B7R1.2  CC1=CC(N)=NO1 BB01-6423 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.2  CC1=CC(O)=NO1 BB57-3975 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.2  CC1=CNC(C)=N1 BB58-1932 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.2  CC1=COC(N)=N1 BB01-7949 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.2  CC1=NOC(N)=C1 BB05-3156 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.4  CC1=NC=CN1C BB58-1097 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.4  CN1C=CN=C1S BB01-6020 [0,1,0,1,0,0|1,1,0]=4