0  B8R0.8  CC(=O)C(C)CCC#N BB01-5869 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.8  CC(O)C(=O)NCCO BB57-6828 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.8  CCCNC(=O)C(=O)O BB55-4706 [0,0,0,0,0,0|2,0,0]=2
4  B8R0.8  CCCNC(=O)C(C)Br BB58-4933 [0,0,0,0,0,0|2,0,1]=3
5  B8R0.8  CCCNC(=O)C(C)Cl BB55-4741 [0,0,0,0,0,0|2,0,1]=3
6  B8R0.8  NCCCC(N)C(=O)O BB57-0193 [0,0,0,0,0,0|3,0,1]=4
7  B7R0.3  CCCNC(=O)CCl BB01-5506 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.3  CNC(=O)CCCCl BB58-5055 [1,0,0,0,0,0|2,0,0]=3
9  B7R0.3  CNC(=O)CCCN BB32-0805 [1,0,0,0,0,0|2,0,0]=3
10  B7R0.3  COC(=O)CCCN BB55-8835 [1,0,0,0,0,0|2,0,0]=3
11  B7R0.3  COC(=O)CCSC BB01-5905 [1,0,0,0,0,0|2,0,0]=3
12  B7R0.4  C=C(C)CCCCC BB58-4377 [1,0,0,0,0,0|1,0,1]=3
13  B7R0.4  CC(=O)CCCCCl BB57-6752 [1,0,0,0,0,0|1,0,1]=3
14  B7R0.4  CC(=O)NCCCBr BB58-5163 [1,0,0,0,0,0|2,0,0]=3
15  B7R0.4  CC(=O)NCCCCl BB58-5165 [1,0,0,0,0,0|2,0,0]=3
16  B7R0.4  CCCCOC(=S)[S-] BB55-6492 [1,0,0,0,0,0|2,1,0]=4
17  B7R0.4  CCOCCC(=O)O BB57-3742 [1,0,0,0,0,0|2,0,1]=4
18  B7R0.4  CNCCCC(=O)O BB58-0143 [1,0,0,0,0,0|2,0,1]=4
19  B7R0.5  C=C(C)C(=O)NCO BB57-4784 [1,0,0,0,0,0|3,0,0]=4
20  B7R0.5  CCNC(=O)C(C)Br BB58-4929 [1,0,0,0,0,0|2,0,1]=4
21  B7R0.5  CCOC(=O)C(=O)[O-] BB58-2852 [1,0,0,0,0,0|2,0,0]=3
22  B7R0.5  CCOC(=O)C(N)=S BB01-2471 [1,0,0,0,0,0|2,1,0]=4
23  B9R0.7  CC(C)CNC(=O)C(=O)O BB57-0815 [0,1,0,0,0,0|2,0,0]=3
24  B9R0.8  CCCCN(C)C(=O)CCl BB01-1058 [0,1,0,0,0,0|2,0,0]=3
25  B9R0.8  CCCNC(=O)C(Br)CC BB01-5554 [0,1,0,0,0,0|2,0,1]=4
26  B9R0.42  CCC(C)NC(=O)C(=O)O BB55-4719 [0,1,0,0,0,0|2,0,0]=3
27  B9R1.5  NC1CCCCNC1=O BB57-3738 [0,0,0,1,0,0|2,0,1]=4
28  B9R1.5  O=C1NCCCCC1Br BB58-3108 [0,0,0,1,0,0|2,0,1]=4
29  B9R1.6  O=C(O)C1CCCCC1 BB01-5902 [0,0,0,1,0,0|2,0,1]=4
30  B9R1.69  CC1CNC(=O)N(C)C1 BB58-3643 [0,0,0,1,0,0|3,0,0]=4
31  B9R1.112  CC(Br)C(=O)NC1CC1 BB58-2131 [0,0,0,1,0,0|2,0,1]=4
32  B9R0.4  CCCCC(N)CC(=O)O BB57-0288 [0,0,0,0,0,1|2,0,1]=4
33  B6R0.1  CCCC(=O)NN BB01-6388 [2,0,0,0,0,0|2,0,0]=4
34  B6R0.1  CNC(=O)CCN BB32-2825 [2,0,0,0,0,0|2,0,0]=4
35  B6R0.4  CC(=O)NCCN BB20-2208 [2,0,0,0,0,0|2,0,0]=4
36  B6R0.4  CCNCC(=O)O BB20-0183 [2,0,0,0,0,0|1,0,1]=4
37  B8R0.1  CCCNC(=O)CNC BB01-4848 [1,1,0,0,0,0|1,0,1]=4
38  B8R0.1  CCCOC(=O)CCO BB58-0822 [1,1,0,0,0,0|1,0,1]=4
39  B8R0.3  CCCC(N)C(=O)OC BB55-8831 [1,1,0,0,0,0|1,0,0]=3
40  B8R0.6  CCCCCC(=O)NN BB55-0711 [1,1,0,0,0,0|2,0,0]=4
41  B8R0.6  CCCCNC(=O)CCl BB01-5126 [1,1,0,0,0,0|1,0,1]=4
42  B8R0.6  CCCCOC(=O)CCl BB17-2142 [1,1,0,0,0,0|1,0,1]=4
43  B8R0.6  CCCCOC(=O)CN BB01-2500 [1,1,0,0,0,0|1,0,1]=4
44  B8R0.7  NCCCCCC(=O)O BB57-3834 [1,1,0,0,0,0|1,0,1]=4
45  B8R0.23  CC(C)CC(=O)N(C)C BB57-2001 [1,1,0,0,0,0|2,0,0]=4
46  B8R0.23  CC(C)NC(=O)C(=O)O BB55-4701 [1,1,0,0,0,0|2,0,0]=4
47  B10R0.83  CCCCNC(=O)C(Br)CC BB01-5122 [0,2,0,0,0,0|1,0,1]=4
48  B10R0.17  CCOC=C(C(C)=O)C(C)=O BB57-2089 [0,2,0,0,0,0|1,0,1]=4
49  B10R0.67  CCC(C)(C)NC(=O)C(=O)O BB55-4723 [0,2,0,0,0,0|2,0,0]=4
50  B10R0.72  CCC(CC)NC(=O)C(=O)O BB57-0814 [0,2,0,0,0,0|2,0,0]=4
51  B10R0.98  CC(C)CCNC(=O)C(C)Br BB01-8238 [0,2,0,0,0,0|1,0,1]=4
52  B8R1.2  O=CC1CCCCC1 BB01-6149 [1,0,0,1,0,0|1,0,1]=4
53  B8R1.5  CN1CCCNC1=O BB58-3630 [1,0,0,1,0,0|2,0,0]=4
54  B10R1.23  CC(Cl)C(=O)N1CCCC1 BB55-4740 [0,1,0,1,0,0|1,0,1]=4
55  B10R1.13  CC(=O)N1CCC(N)CC1 BB53-1175 [0,1,0,1,0,0|2,0,0]=4
56  B10R1.15  O=C(CCl)N1CCCCC1 BB01-8181 [0,1,0,1,0,0|2,0,0]=4