0  B8R0.8  CC(=O)C(C)CCC#N BB01-5869 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [1,0,0,0,0,0|1,0,0]=2
2  B8R0.8  CCCNC(C)C(C)C BB55-6529 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.8  NCCCC(N)C(=O)O BB57-0193 [1,0,0,0,0,0|3,0,0]=4
4  B10R0.85  CCCCC(CC)C(=O)NN BB55-2165 [0,1,0,0,0,0|2,0,0]=3
5  B10R1.13  CC(=O)N1CCC(N)CC1 BB53-1175 [0,0,0,1,0,0|3,0,0]=4
6  B10R1.13  CC1CCC(C(=O)O)CC1 BB58-4355 [0,0,0,1,0,0|2,0,0]=3
7  B10R1.29  NCCCN1CCCC1=O BB01-3614 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.31  CCC1NC(C(=O)O)CS1 BB57-4293 [0,0,0,1,0,0|2,1,0]=4
9  B10R1.61  CC1CCCCC1C(=O)O BB58-4370 [0,0,0,1,0,0|2,0,0]=3
10  B10R1.61  CN(C)[C@@H]1CCCC[C@H]1O BB55-6313 [0,0,0,1,0,0|2,0,0]=3
11  B10R1.348  O=C(O)C1CCCCCC1 BB58-4365 [0,0,0,1,0,0|2,0,0]=3
12  B10R1.477  NCC1(C(=O)O)CCCC1 BB57-0992 [0,0,0,1,0,0|2,0,0]=3
13  B7R0.3  CC(CO)CCCO BB58-5344 [2,0,0,0,0,0|1,0,0]=3
14  B7R0.3  CCCNC(C)CC BB57-3735 [2,0,0,0,0,0|1,0,1]=4
15  B7R0.3  CSCCC(N)CO BB01-7854 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.4  C=C(C)CCCCC BB58-4377 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.4  CC(=O)CCCCCl BB57-6752 [2,0,0,0,0,0|1,0,0]=3
18  B7R0.4  CC(=O)NCCCBr BB58-5163 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.4  CC(=O)NCCCCl BB58-5165 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.4  CCOCCC(=O)O BB57-3742 [2,0,0,0,0,0|2,0,0]=4
21  B7R0.4  CNCCCC(=O)O BB58-0143 [2,0,0,0,0,0|2,0,0]=4
22  B7R0.5  CCNC(C)C(N)=O BB58-3590 [2,0,0,0,0,0|2,0,0]=4
23  B9R0.8  CCCCN(C)C(=O)CCl BB01-1058 [1,1,0,0,0,0|1,0,0]=3
24  B9R0.15  CCCC(CCC)C(=O)Cl BB20-1580 [1,1,0,0,0,0|2,0,0]=4
25  B11R0.160  CSCCC(NC(C)=O)C(=O)O BB57-4874 [0,1,0,0,0,1|1,0,1]=4
26  B9R1.5  NC1CCCCNC1=O BB57-3738 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.5  O=C1NCCCCC1Br BB58-3108 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.6  NC(=O)C1CCCNC1 BB58-0148 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.6  NC(=O)C1CCNCC1 BB57-6677 [1,0,0,1,0,0|2,0,0]=4
30  B9R1.6  O=C(O)C1CCCCC1 BB01-5902 [1,0,0,1,0,0|1,0,0]=3
31  B9R1.6  O=C(O)C1CCOCC1 BB01-8327 [1,0,0,1,0,0|2,0,0]=4
32  B9R1.15  CN1CCCCC1CO BB57-3381 [1,0,0,1,0,0|1,0,0]=3
33  B9R1.204  NCC1(CO)CCCC1 BB58-3586 [1,0,0,1,0,0|1,0,1]=4
34  B9R1.41  CN(C)[C@@H]1CCC[C@H]1O BB55-6308 [1,0,0,1,0,0|2,0,0]=4
35  B11R1.22  CC1CCN(C(=O)CCl)CC1 BB01-5129 [0,1,0,1,0,0|2,0,0]=4
36  B11R1.22  COC(=O)C1CCN(C)CC1 BB58-0811 [0,1,0,1,0,0|2,0,0]=4
37  B11R1.44  CCC1NC(C(=O)OC)CS1 BB57-4294 [0,1,0,1,0,0|1,1,0]=4
38  B11R1.852  O=C(CCl)N1CCCCCC1 BB01-5148 [0,1,0,1,0,0|2,0,0]=4
39  B11R1.3  NCC1CCC(C(=O)O)CC1 BB57-0219 [0,1,0,1,0,0|2,0,0]=4
40  B11R1.1239  COCC1(C(N)=O)CCCC1 BB57-1039 [0,1,0,1,0,0|1,0,0]=3
41  B11R2.845  CC(=O)C1CC2CCC1C2 BB55-2251 [0,0,0,2,0,0|1,0,0]=3
42  B9R0.4  CCCCC(N)CC(=O)O BB57-0288 [1,0,0,0,0,1|2,0,0]=4