0  B5R0.3  CCC(O)C#N BB58-1311 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  CCC(O)CN BB58-0207 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.3  CC\C(N)=N\O BB05-3255 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.3  OC(CCl)CBr BB58-5209 [0,0,0,0,0,0|2,0,0]=2
4  B5R0.3  OCC(O)CCl BB01-5909 [0,0,0,0,0,0|1,0,0]=1
5  B4R0.1  CC(O)C#N BB58-1312 [1,0,0,0,0,0|1,0,1]=3
6  B4R0.1  NC(=O)CO BB58-4485 [1,0,0,0,0,0|1,0,2]=4
7  B4R0.1  NCC(F)F BB05-2701 [1,0,0,0,0,0|3,0,0]=4
8  B4R0.2  CNCCO BB53-1758 [1,0,0,0,0,0|2,0,0]=3
9  B4R0.2  COCCBr BB58-3144 [1,0,0,0,0,0|3,0,0]=4
10  B4R0.2  COCCN BB17-0802 [1,0,0,0,0,0|3,0,0]=4
11  B4R0.2  N#CCCBr BB01-5915 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.1  CCC(O)COC BB57-6766 [0,1,0,0,0,0|1,0,0]=2
13  B6R0.1  CCCC(O)C#N BB58-1313 [0,1,0,0,0,0|2,0,1]=4
14  B6R0.3  CC(CN)C(=O)O BB58-0275 [0,1,0,0,0,0|2,0,1]=4
15  B6R0.3  CCC(N)C(=O)O BB55-8838 [0,1,0,0,0,0|2,0,1]=4
16  B6R0.3  NCC(O)C(=O)O BB58-4543 [0,1,0,0,0,0|1,0,1]=3
17  B6R1.2  NC1CCNC1 BB01-6297 [0,0,0,1,0,0|3,0,0]=4
18  B3R0.2  CB(O)O BB55-7799 [2,0,0,0,0,0|1,0,0]=3
19  B5R0.1  CC(C)CNN BB58-2806 [1,1,0,0,0,0|2,0,0]=4
20  B5R0.2  CCOCCN BB57-6037 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.2  CCSCCCl BB53-1259 [1,1,0,0,0,0|2,0,0]=4
22  B5R0.2  CNCCOC BB57-3739 [1,1,0,0,0,0|2,0,0]=4
23  B5R0.2  COCCCBr BB58-3145 [1,1,0,0,0,0|1,0,0]=3
24  B7R0.2  CC(C)CC(N)CO BB20-2191 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.2  CN(C)CC(O)CO BB01-8037 [0,2,0,0,0,0|1,0,0]=3
26  B7R0.2  NCC(O)CC(=O)O BB57-4937 [0,2,0,0,0,0|1,0,0]=3
27  B7R0.3  CC(CO)CCCO BB58-5344 [0,2,0,0,0,0|1,0,0]=3
28  B7R0.3  CSCCC(N)CO BB01-7854 [0,2,0,0,0,0|1,1,0]=4
29  B7R0.10  CCC(C)C(N)CO BB01-5326 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.11  COCC(C)(C)CN BB58-3593 [0,2,0,0,0,0|2,0,0]=4
31  B5R1.3  BrCC1CC1 BB58-0270 [1,0,0,1,0,0|2,0,0]=4
32  B5R1.3  NCC1CC1 BB55-3609 [1,0,0,1,0,0|2,0,0]=4
33  B7R1.1  OCC1CCCN1 BB01-5343 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.1  OC[C@H]1CCCO1 BB31-4654 [0,1,0,1,0,0|1,0,0]=3
35  B7R1.3  OC1CCCNC1 BB01-6209 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.3  OC1CCNCC1 BB17-2908 [0,1,0,1,0,0|2,0,0]=4