0  B8R1.4  CC1CCCC(C)[NH2+]1 031072 [0,0,0,0,0,0|2,0,1]=3
1  B7R1.3  C[C@@H]1CCCCN1 044539 [1,0,0,0,0,0|1,0,1]=3
2  B9R1.2  O=C1CCCC(CO)C1 067772 [0,1,0,0,0,0|0,0,0]=1
3  B9R1.66  CC1(C)C=COC(=O)C1 099599 [0,1,0,0,0,0|1,0,2]=4
4  B9R1.66  CC1CCCC(F)(F)C1 069980 [0,1,0,0,0,0|1,0,1]=3
5  B7R0.2  CNC(=O)CC(C)C 103448 [0,0,1,0,0,0|1,0,0]=2
6  B7R0.4  CC(C)CCN=C=O 044448 [0,0,1,0,0,0|1,0,1]=3
7  B7R0.4  CCCCN[N+](=O)[O-] 180041 [0,0,1,0,0,0|3,0,0]=4
8  B7R0.4  CCCCOC(C)=O 101599 [0,0,1,0,0,0|1,0,0]=2
9  B7R0.4  COCCCC(=O)O 234024 [0,0,1,0,0,0|2,0,0]=3
10  B7R0.7  CCCC(C)N=C=O 097755 [0,0,1,0,0,0|1,0,1]=3
11  B9R2.39  O=C1NC2CCC1C2 388777 [0,0,0,1,0,0|1,0,0]=2
12  B7R1.2  CC1COC(=O)O1 102084 [0,0,0,0,1,0|2,0,0]=3
13  B7R1.4  CN1CCCC1=O 105571 [0,0,0,0,1,0|1,0,0]=2
14  B6R0.1  CNC(=O)CCCl 310786 [1,0,1,0,0,0|2,0,0]=4
15  B6R0.4  CCCCS(=O)[O-] 044582 [1,0,1,0,0,0|2,0,0]=4
16  B6R0.4  NCCCC(N)=O 373559 [1,0,1,0,0,0|2,0,0]=4
17  B6R0.6  C=CCCCNC 104140 [1,0,1,0,0,0|1,0,1]=4
18  B6R0.6  CCOCCNC 104271 [1,0,1,0,0,0|2,0,0]=4
19  B6R1.1  C1=NCCCC1 403930 [2,0,0,0,0,0|1,0,0]=3
20  B8R0.19  CCC(C)CC(N)CC 214313 [0,1,1,0,0,0|1,0,1]=4
21  B8R0.23  CC(=O)C(C)CC(=O)O 103634 [0,1,1,0,0,0|1,0,1]=4
22  B8R0.7  CC(C)CCNCCN 104881 [0,1,1,0,0,0|1,0,1]=4
23  B8R0.21  CCCCCS(N)(=O)=O 034682 [0,1,1,0,0,0|2,0,0]=4
24  B8R0.1  CCNC(=O)CCOC 091207 [0,1,1,0,0,0|1,0,0]=3
25  B8R1.2  O=CC1=CCCOC1 036040 [1,1,0,0,0,0|1,0,1]=4
26  B8R1.3  CC1CCN(C)CC1 032558 [1,1,0,0,0,0|1,0,1]=4
27  B8R1.3  C[C@H]1CO[C@@H](C)CN1 227316 [1,1,0,0,0,0|2,0,0]=4
28  B8R1.5  N[C@@H]1CCCC[C@@H]1O 093768 [1,1,0,0,0,0|0,0,2]=4
29  B8R1.72  CC1(C)CCCNC1 044592 [1,1,0,0,0,0|1,0,0]=3
30  B8R1.11  O=C1CCCC1CO 364082 [0,1,0,0,1,0|0,0,0]=2
31  B10R1.113  O=C1CCCC(C(=O)O)C1 022944 [0,2,0,0,0,0|0,0,1]=3
32  B10R1.63  CC1CN(C)CCC1(F)F 094058 [0,2,0,0,0,0|2,0,0]=4
33  B8R1.7  O=C(Cl)N1CCCC1 099986 [0,0,1,1,0,0|2,0,0]=4
34  B8R1.8  CNCC1CCCC1 104275 [0,0,1,1,0,0|2,0,0]=4
35  B8R1.37  CCOC(=O)[C@H]1CO1 104123 [0,0,1,1,0,0|2,0,0]=4
36  B6R0.3  COC(=O)[C@@H](C)Br 097700 [0,0,1,0,1,0|2,0,0]=4
37  B6R1.2  BrC1CCOC1 079615 [1,0,0,0,1,0|2,0,0]=4
38  B6R1.2  CC1CCCO1 105578 [1,0,0,0,1,0|1,0,0]=3
39  B6R1.2  C[C@H]1CCNC1 034511 [1,0,0,0,1,0|1,0,0]=3
40  B6R1.2  O=C1OCCO1 075946 [1,0,0,0,1,0|2,0,0]=4