0  B7R1.3  FC1CCCNC1 BB31-0459 [0,1,0,0,0,0|1,0,0]=2
1  B7R1.3  NN1CCOCC1 BB01-6278 [0,1,0,0,0,0|1,0,0]=2
2  B7R1.3  O=C1CCOCC1 BB53-1277 [0,1,0,0,0,0|2,0,0]=3
3  B7R1.3  O=C1CCSCC1 BB53-1260 [0,1,0,0,0,0|2,0,0]=3
4  B7R1.3  OC1CCCNC1 BB01-6209 [0,1,0,0,0,0|1,0,0]=2
5  B7R1.3  OC1CCNCC1 BB17-2908 [0,1,0,0,0,0|1,0,0]=2
6  B5R0.2  CCOCCN BB57-6037 [0,0,1,0,0,0|1,0,0]=2
7  B5R0.2  CCSCCCl BB53-1259 [0,0,1,0,0,0|2,0,0]=3
8  B5R0.2  CNCCOC BB57-3739 [0,0,1,0,0,0|1,0,0]=2
9  B5R0.2  COCCCBr BB58-3145 [0,0,1,0,0,0|3,0,0]=4
10  B7R1.24  C1=CCOCOC1 BB58-4373 [0,0,0,0,0,1|2,0,1]=4
11  B4R0.2  CNCCO BB53-1758 [1,0,1,0,0,0|1,0,0]=3
12  B4R0.2  COCCBr BB58-3144 [1,0,1,0,0,0|2,0,0]=4
13  B4R0.2  COCCN BB17-0802 [1,0,1,0,0,0|1,0,0]=3
14  B6R0.1  CCC(O)COC BB57-6766 [0,1,1,0,0,0|2,0,0]=4
15  B6R0.1  CCNC(=O)CCl BB20-1611 [0,1,1,0,0,0|1,0,1]=4
16  B6R0.1  CNC(=O)CCN BB32-2825 [0,1,1,0,0,0|2,0,0]=4
17  B6R0.4  CC(=O)NCCN BB20-2208 [0,1,1,0,0,0|0,0,1]=3
18  B6R0.4  CC(C)NCCN BB57-0247 [0,1,1,0,0,0|0,0,0]=2
19  B6R0.4  CC(C)OCCO BB01-5911 [0,1,1,0,0,0|2,0,0]=4
20  B6R0.4  CCNCC(=O)O BB20-0183 [0,1,1,0,0,0|1,0,1]=4
21  B6R0.4  CNCCN(C)C BB01-5604 [0,1,1,0,0,0|0,0,0]=2
22  B6R0.6  NCCOCCN BB58-4638 [0,1,1,0,0,0|1,0,0]=3
23  B6R1.2  CC1=NNCC1 BB57-2058 [0,1,0,0,1,0|1,0,1]=4
24  B6R1.2  NC1CCNC1 BB01-6297 [0,1,0,0,1,0|0,0,0]=2
25  B6R1.2  NN1CCCC1 BB58-5312 [0,1,0,0,1,0|0,0,0]=2
26  B6R1.2  O=C1CCSC1 BB01-8335 [0,1,0,0,1,0|1,0,1]=4
27  B6R1.2  OC1=NNCC1 BB53-1267 [0,1,0,0,1,0|1,0,1]=4
28  B8R1.22  CN1CCCNCC1 BB57-3741 [0,1,0,0,0,1|0,0,0]=2
29  B8R1.2  COC1CCNCC1 BB01-8265 [0,2,0,0,0,0|1,0,0]=3
30  B8R1.2  N#CC1CCCCC1 BB58-4600 [0,2,0,0,0,0|2,0,0]=4
31  B8R1.2  N#CN1CCOCC1 BB57-1026 [0,2,0,0,0,0|1,0,0]=3
32  B8R1.2  NCC1CCNCC1 BB01-6277 [0,2,0,0,0,0|1,0,0]=3
33  B8R1.2  O=CC1CCCCC1 BB01-6149 [0,2,0,0,0,0|2,0,0]=4
34  B8R1.2  OCC1CCCCO1 BB01-4802 [0,2,0,0,0,0|2,0,0]=4
35  B8R1.2  OCC1CCNCC1 BB58-3415 [0,2,0,0,0,0|1,0,0]=3
36  B8R1.2  OCC1CCOCC1 BB55-3597 [0,2,0,0,0,0|2,0,0]=4
37  B8R1.2  OC[C@H]1COCCN1 BB31-4175 [0,2,0,0,0,0|1,0,0]=3
38  B8R1.2  ON=C1CCOCC1 BB55-3583 [0,2,0,0,0,0|2,0,0]=4
39  B8R1.3  CC1CCC(N)CC1 BB55-1073 [0,2,0,0,0,0|2,0,0]=4
40  B8R1.3  CN1CCC(N)CC1 BB55-0029 [0,2,0,0,0,0|1,0,0]=3
41  B8R1.5  CC1SCCNC1=O BB57-3772 [0,2,0,0,0,0|1,0,1]=4
42  B8R1.5  NC1CCCNC1=O BB01-4609 [0,2,0,0,0,0|1,0,1]=4
43  B6R1.3  COCC1CO1 BB17-0649 [0,0,1,1,0,0|2,0,0]=4
44  B8R1.49  C1CCCNCCC1 BB57-3737 [0,0,0,0,0,2|1,0,0]=3