0  B8R1.22  O=C1CCCCCN1 X5632 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.5  CCCC(=O)CC(C)=O 3453AL [0,0,1,0,0,0|1,0,0]=2
2  B8R0.5  CCCC(C)OC(C)=O 1658AL [0,0,1,0,0,0|1,0,1]=3
3  B8R0.5  CCN\C(C)=C\C(C)=O 8145AJ [0,0,1,0,0,0|3,0,0]=4
4  B8R0.5  CCOC(=O)OC(C)I 9891AH [0,0,1,0,0,0|2,0,1]=4
5  B8R0.7  NCCCCCC(=O)Cl Y1672 [0,0,1,0,0,0|2,0,1]=4
6  B8R0.19  COC(=O)NC(=O)CCl X9921 [0,0,1,0,0,0|3,0,0]=4
7  B8R0.19  O=C(CCl)OC(=O)CCl M169 [0,0,1,0,0,0|2,0,0]=3
8  B8R1.4  NC1CCCC(=O)C1 7456AA [0,0,0,0,1,0|2,0,1]=4
9  B8R1.4  NC1CCCC(=O)C1 V9436 [0,0,0,0,1,0|2,0,1]=4
10  B8R1.4  O=C1CNCC(=O)C1 4461AJ [0,0,0,0,1,0|2,0,0]=3
11  B8R1.5  CC1CCNCC1=O 2896AJ [0,0,0,0,1,0|2,0,1]=4
12  B8R1.5  O=C1CCOCC1Br 4586AF [0,0,0,0,1,0|2,0,1]=4
13  B8R1.5  O=C1CCOCC1Cl 2253AJ [0,0,0,0,1,0|2,0,1]=4
14  B7R0.1  O=CNCCNC=O 7252AF [1,0,1,0,0,0|2,0,0]=4
15  B7R0.3  CCCOC(=O)CCl U589 [1,0,1,0,0,0|1,0,1]=4
16  B7R0.3  CCCOC(=O)CN 3440AL [1,0,1,0,0,0|1,0,1]=4
17  B7R0.3  CC\C=C\C(=O)OC Y2122 [1,0,1,0,0,0|2,0,0]=4
18  B7R0.3  COC(=O)CCCO 3568AL [1,0,1,0,0,0|1,0,1]=4
19  B7R0.3  C\C=C(/C)CCCC 6098AL [1,0,1,0,0,0|2,0,0]=4
20  B7R0.7  CCCC(=S)OCC R545 [1,0,1,0,0,0|0,1,1]=4
21  B7R0.7  CCNC(=O)OCC 7331AF [1,0,1,0,0,0|1,0,1]=4
22  B7R0.7  CCOC(=O)CCN 5625AC [1,0,1,0,0,0|1,0,1]=4
23  B7R0.4  CC(=O)OCCC=O 9702AA [1,0,1,0,0,0|2,0,0]=4
24  B7R0.4  NOCCCC(=O)O V9806 [1,0,1,0,0,0|2,0,0]=4
25  B7R1.24  C1=CCCCC=C1 5492AB [2,0,0,0,0,0|1,0,1]=4
26  B9R0.35  CCCC(O)C(=O)OCC 7801AF [0,1,1,0,0,0|1,0,1]=4
27  B9R0.47  C=CCCCC(N)C(=O)O 0772AA [0,1,1,0,0,0|1,0,0]=3
28  B9R0.47  NC(CCCC=O)C(=O)O Y1617 [0,1,1,0,0,0|0,0,0]=2
29  B9R1.5  O=C1CCCCCC1Br 9448AE [1,1,0,0,0,0|1,0,1]=4
30  B9R1.69  CC1CNC(=O)CC1=O X9250 [0,1,0,0,1,0|2,0,0]=4
31  B9R1.69  CC1CNC(=O)NC1=O K164 [0,1,0,0,1,0|2,0,0]=4
32  B9R1.69  NC1CCC(=O)NC1=O 9455AJ [0,1,0,0,1,0|1,0,0]=3
33  B9R1.69  N[C@@H]1CCC(=O)NC1=O 8996AH [0,1,0,0,1,0|1,0,0]=3
34  B9R1.8  O=COC1CCCCC1 7767AF [0,0,1,1,0,0|1,0,1]=4
35  B9R1.41  O=C(O)C1CCCC1=O 4522AE [0,0,1,1,0,0|2,0,0]=4
36  B9R1.6  O=C(O)C1CCCCN1 3297AL [0,0,1,1,0,0|1,0,1]=4
37  B9R1.6  O=C(O)C1CCCCN1 6644AH [0,0,1,1,0,0|1,0,1]=4
38  B9R1.37  O=C1OC(=O)C(Cl)C1Cl Y8481 [0,0,1,1,0,0|2,0,0]=4
39  B7R0.5  CCCC(=O)C(=O)[O-] 7377AF [0,0,1,0,1,0|1,0,0]=3
40  B7R0.5  CCCC(O)C(C)=O X3438 [0,0,1,0,1,0|0,0,2]=4
41  B7R1.3  C=C1CCCCC1 3293AA [1,0,0,0,1,0|1,0,1]=4
42  B7R1.3  O=C1CCCNC1 7001AB [1,0,0,0,1,0|1,0,1]=4
43  B7R1.3  O=S1CCCCC1 V2389 [1,0,0,0,1,0|1,0,1]=4