0  B8R0.11  CCCCC(CC)CI 7977AF [0,0,0,0,0,0|1,0,3]=4
1  B7R0.3  C=CC(=O)NCCC 3769AL [1,0,0,0,0,0|1,0,2]=4
2  B7R0.3  CCCCC(=O)CCl 6831AD [1,0,0,0,0,0|1,0,1]=3
3  B7R0.3  CCO\C=C(/C)C=O 3175AE [1,0,0,0,0,0|1,0,0]=2
4  B7R0.3  CC\C=C\C(C)CC 6800AL [1,0,0,0,0,0|0,0,3]=4
5  B7R0.3  CNC(=O)CCCO 2742AL [1,0,0,0,0,0|2,0,1]=4
6  B9R0.13  CCCCC(CO)C(C)=O 0020AC [0,1,0,0,0,0|1,0,2]=4
7  B9R0.13  CCCC[C@@H](CO)C(=O)O 9137AH [0,1,0,0,0,0|1,0,2]=4
8  B9R1.1  CN1CC=C(CO)CC1 5145AJ [0,0,0,1,0,0|1,0,2]=4
9  B9R1.1  CN1CCC(C=O)CC1 W6593 [0,0,0,1,0,0|1,0,2]=4
10  B9R1.1  COC1=CCC(O)CC1 0663AC [0,0,0,1,0,0|3,0,0]=4
11  B9R1.15  CCC1NCCNC1=O 5065AC [0,0,0,1,0,0|2,0,1]=4
12  B9R1.15  COC1=CCCCC1=O 1767AJ [0,0,0,1,0,0|1,0,0]=2
13  B9R1.15  O=C1CCCCC1CO 7564AB [0,0,0,1,0,0|1,0,2]=4
14  B9R1.21  CCC1=CC=C(CC)N1 1950AC [0,0,0,1,0,0|2,0,1]=4
15  B9R1.21  CCC1=CC=C(CC)S1 6997AB [0,0,0,1,0,0|2,0,1]=4
16  B6R0.1  CCCC(=O)OC 8838AJ [2,0,0,0,0,0|1,0,0]=3
17  B6R0.1  CCCC(Cl)CC 6028AL [2,0,0,0,0,0|1,0,1]=4
18  B6R0.4  CC(C)=CCCO 1893AC [2,0,0,0,0,0|1,0,1]=4
19  B8R0.1  CCOC(=O)CCCCl X7914 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.1  CCOCC(=O)OCC X4417 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.3  CCOC(=O)C(C)C=O X5962 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.6  COCCOC(=O)CCl 7354AL [1,1,0,0,0,0|2,0,0]=4
23  B8R0.8  CCCOC(C)C(=O)O 5764AE [1,1,0,0,0,0|1,0,1]=4
24  B8R1.1  CCN1CCC(=O)C1 0571AA [1,0,0,1,0,0|1,0,1]=4
25  B8R1.1  COC1CCC(=O)N1 W1034 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.1  NC[C@@H]1CCC(=O)N1 7181AA [1,0,0,1,0,0|2,0,0]=4
27  B8R1.1  O=C1CCC(CBr)O1 3312AH [1,0,0,1,0,0|2,0,0]=4
28  B8R1.1  O=C1CCC(CCl)O1 2512AE [1,0,0,1,0,0|2,0,0]=4
29  B8R1.1  O=C1CC[C@H](CO)O1 B249 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.2  BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|1,0,1]=4
31  B8R1.2  BrCC1=CCCCC1 1457AL [1,0,0,1,0,0|1,0,1]=4
32  B8R1.3  C=C1CCN(C)CC1 6500AA [1,0,0,1,0,0|1,0,1]=4
33  B8R1.3  CC1COC(=O)OC1 3991AC [1,0,0,1,0,0|2,0,0]=4
34  B8R1.3  N[C@@H]1CCC(=O)NC1 0145AA [1,0,0,1,0,0|2,0,0]=4
35  B8R1.5  NC1CCCCC1=O Y8332 [1,0,0,1,0,0|1,0,1]=4
36  B8R1.5  O=C1CCCC=C1I 2099AL [1,0,0,1,0,0|1,0,0]=3
37  B8R1.5  O=C1CCCCC1F Z5041 [1,0,0,1,0,0|1,0,1]=4
38  B8R1.5  O=C1NCCC[C@H]1O 1192AB [1,0,0,1,0,0|2,0,0]=4
39  B8R1.5  O=C1OCCCC1O Y3190 [1,0,0,1,0,0|2,0,0]=4
40  B8R1.22  O=C1COCCCN1 1535AL [1,0,0,1,0,0|2,0,0]=4
41  B8R1.38  CNC(=O)C1CCC1 4798AA [1,0,0,1,0,0|1,0,1]=4
42  B8R1.38  O=C(CBr)N1CCC1 4165AC [1,0,0,1,0,0|2,0,0]=4
43  B10R1.61  CC1CCCCC1C(=O)O 2112AL [0,1,0,1,0,0|0,0,2]=4
44  B10R1.405  CCOC(=O)C1(C=O)CC1 3318AL [0,1,0,1,0,0|1,0,1]=4
45  B10R1.96  CCCN1C=C(CN)C=N1 7211AC [0,1,0,1,0,0|2,0,0]=4
46  B10R1.3  CCC1=CN=C(CC)C=N1 5968AA [0,1,0,1,0,0|1,0,1]=4
47  B10R1.3  COC1CCC(C=O)CC1 2851AJ [0,1,0,1,0,0|0,0,2]=4
48  B10R2.15  O=C1CCCCC12CC2 4501AJ [0,0,0,2,0,0|0,0,2]=4