0  B7R0.1  C(CCCBr)CCCl 5780 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.1  C(CCCCl)CCO 5053 [0,0,0,0,0,0|2,0,0]=2
2  B7R0.1  C(CCCO)CCN 8387 [0,0,0,0,0,0|2,0,0]=2
3  B7R0.1  C(CN)CNCCN 8496 [0,0,0,0,0,0|3,0,0]=3
4  B7R0.1  CCCCCCCBr 5952 [0,0,0,0,0,0|2,0,0]=2
5  B6R0.6  C(CBr)OCCBr 6238 [1,0,0,0,0,0|2,0,0]=3
6  B6R0.6  C(CCBr)CC#N 8151 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  C(CCO)CCBr 9446 [1,0,0,0,0,0|1,0,0]=2
8  B6R0.6  C(CO)NCCO 10566 [1,0,0,0,0,0|2,0,0]=3
9  B6R0.6  C(COCCCl)O 5879 [1,0,0,0,0,0|1,0,0]=2
10  B6R0.6  C=CCCCCBr 5037 [1,0,0,0,0,0|1,0,2]=4
11  B6R0.6  CCCNCCC 9551 [1,0,0,0,0,0|2,0,0]=3
12  B6R0.6  COCCCCBr 8517 [1,0,0,0,0,0|2,0,0]=3
13  B8R0.4  C=CCCCCCCBr 10114 [0,1,0,0,0,0|2,0,1]=4
14  B8R1.2  C1CCNC(C1)CO 6795 [0,0,0,1,0,0|1,0,0]=2
15  B8R1.2  C1CCOC(C1)ON 10111 [0,0,0,1,0,0|2,0,0]=3
16  B8R1.2  C1CNCCC1CO 10405 [0,0,0,1,0,0|2,0,0]=3
17  B8R1.2  C1COCCC1CN 6624 [0,0,0,1,0,0|3,0,0]=4
18  B8R1.5  C1CC[C@H]([C@@H](C1)N)N 8637 [0,0,0,1,0,0|3,0,0]=4
19  B5R0.2  C(CCN)CN 8513 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.2  COCCCBr 9602 [2,0,0,0,0,0|1,0,0]=3
21  B7R0.7  CCOC(=O)CCN 8696 [1,1,0,0,0,0|1,0,1]=4
22  B9R0.45  C(COCCOCCO)O 5748 [0,2,0,0,0,0|0,0,0]=2
23  B9R0.45  CCCCCCCCNC 9589 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.47  CCCCCC(C)C(=O)O 8193 [0,2,0,0,0,0|1,0,1]=4
25  B7R1.1  C1CCC(C1)CO 8627 [1,0,0,1,0,0|0,0,0]=2
26  B7R1.3  C1CC(CNC1)O 10421 [1,0,0,1,0,0|1,0,0]=3
27  B7R1.3  C1CCC(=O)CC1 5327 [1,0,0,1,0,0|0,0,2]=4
28  B7R1.3  C1CCC(CC1)F 8957 [1,0,0,1,0,0|1,0,0]=3
29  B7R1.3  C1CNCCC1F 9573 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.3  C1CNCCC1O 10611 [1,0,0,1,0,0|1,0,0]=3
31  B7R1.3  C1CNCCC1O 5693 [1,0,0,1,0,0|1,0,0]=3
32  B7R1.3  C1COCCC1=O 9746 [1,0,0,1,0,0|1,0,1]=4
33  B7R1.3  C1COCCC1N 8234 [1,0,0,1,0,0|1,0,0]=3
34  B7R1.3  C1COCCC1N 9213 [1,0,0,1,0,0|1,0,0]=3
35  B7R1.3  CN1CCNCC1 9747 [1,0,0,1,0,0|2,0,0]=4
36  B7R1.3  CN1CCNCC1 M0081 [1,0,0,1,0,0|2,0,0]=4
37  B7R1.4  CC1C(=O)CCO1 10277 [1,0,0,1,0,0|1,0,1]=4
38  B9R1.8  C1CN(CCN1)CCN 6812 [0,1,0,1,0,0|2,0,0]=4
39  B9R1.8  C1COCCN1CCCl 9211 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.8  C1COCCN1CCO 5713 [0,1,0,1,0,0|1,0,0]=3
41  B9R1.12  C1CCN(C1)CCC#N 5386 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.12  C1CCN(C1)CCCN 5071 [0,1,0,1,0,0|2,0,0]=4
43  B9R1.6  C1CCNC(C1)C(=O)O 5668 [0,1,0,1,0,0|1,0,1]=4
44  B9R1.6  C1CCNC(C1)C(=O)O 9852 [0,1,0,1,0,0|1,0,1]=4