0  B9R0.17  C#CCN(CCC)CCC SBB058306 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.17  CCCN(CCO)CCO SBB061588 [0,0,0,0,0,0|1,0,0]=1
2  B9R0.17  SCCN(CCS)CCS SBB057092 [0,0,0,0,0,0|0,3,0]=3
3  B8R0.22  CCN(CCO)CCO SBB058753 [1,0,0,0,0,0|0,0,0]=1
4  B10R0.79  O=C(O)CN(CCO)CCO SBB057746 [0,1,0,0,0,0|0,0,1]=2
5  B10R0.90  CCCCN(CCO)CCO SBB008846 [0,1,0,0,0,0|1,0,0]=2
6  B10R0.90  NCCCN(CCO)CCO SBB010437 [0,1,0,0,0,0|1,0,0]=2
7  B10R1.10  CC1CCCN(CCN)C1 SBB007291 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.85  ClCCN1CCCCCC1 SBB054974 [0,0,0,1,0,0|3,0,0]=4
9  B10R1.85  NCCN1CCCCCC1 SBB046553 [0,0,0,1,0,0|3,0,0]=4
10  B10R1.85  OCCN1CCCCCC1 SBB005844 [0,0,0,1,0,0|2,0,0]=3
11  B10R1.85  OCCN1CCCNCC1 SBB056234 [0,0,0,1,0,0|2,0,0]=3
12  B7R0.7  CCCN(C)CCC SBB061592 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.12  CCCC(CO)CO SBB059211 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.12  CCN(CC)CCN SBB060903 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.12  CCN(CC)CCO SBB058521 [2,0,0,0,0,0|0,0,0]=2
16  B9R0.40  CCCC(CC)NCCO SBB059831 [1,1,0,0,0,0|2,0,0]=4
17  B11R0.35  CCCN(CC(C)O)CC(C)O SBB060806 [0,2,0,0,0,0|1,0,0]=3
18  B11R0.80  CCCCCN(CCO)CCO SBB061587 [0,2,0,0,0,0|1,0,0]=3
19  B11R0.158  CCCCN(CCO)CCCC SBB060001 [0,2,0,0,0,0|2,0,0]=4
20  B9R1.2  CCN1CCCC(N)C1 SBB010256 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.8  BrCCN1CCNCC1 SBB071600 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.8  CCCN1CCCCC1 SBB061042 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.8  CCCN1CCNCC1 SBB056132 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.8  CCCN1CCOCC1 SBB061033 [1,0,0,1,0,0|1,0,0]=3
25  B9R1.8  ClCCN1CCCCC1 SBB056102 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.8  ClCCN1CCOCC1 SBB004079 [1,0,0,1,0,0|1,0,0]=3
27  B9R1.8  N#CCN1CCOCC1 SBB047441 [1,0,0,1,0,0|1,0,1]=4
28  B9R1.8  N1CCN(CCC)CC1 SBB005871 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.8  NCCN1CCCCC1 SBB058602 [1,0,0,1,0,0|2,0,0]=4
30  B9R1.8  NCCN1CCNCC1 SBB004229 [1,0,0,1,0,0|2,0,0]=4
31  B9R1.8  NCCN1CCOCC1 SBB028239 [1,0,0,1,0,0|1,0,0]=3
32  B9R1.8  OCCC1CCNCC1 SBB027320 [1,0,0,1,0,0|2,0,0]=4
33  B9R1.8  OCCN1CCCCC1 SBB040888 [1,0,0,1,0,0|1,0,0]=3
34  B9R1.8  OCCN1CCNCC1 SBB004225 [1,0,0,1,0,0|1,0,0]=3
35  B9R1.8  OCCN1CCOCC1 SBB004221 [1,0,0,1,0,0|0,0,0]=2
36  B9R1.14  CCN1CCCC1CN SBB048031 [1,0,0,1,0,0|2,0,0]=4
37  B9R1.14  CCN1CCCC1CO SBB108758 [1,0,0,1,0,0|1,0,0]=3
38  B9R1.33  O=C1OCCN1CCO SBB007726 [1,0,0,1,0,0|0,0,2]=4
39  B9R1.89  CCN1CCCCCC1 SBB056278 [1,0,0,1,0,0|2,0,0]=4
40  B9R1.89  CCN1CCCNCC1 SBB056277 [1,0,0,1,0,0|2,0,0]=4
41  B11R1.34  CC1CN(CCO)CC(C)O1 SBB079185 [0,1,0,1,0,0|1,0,0]=3
42  B11R1.742  CC(O)CN1CCCCCC1 SBB056515 [0,1,0,1,0,0|2,0,0]=4
43  B11R1.18  NCCCN1CCCC1CO SBB010404 [0,1,0,1,0,0|2,0,0]=4
44  B11R1.24  NCCCN1CCCC(O)C1 SBB017949 [0,1,0,1,0,0|2,0,0]=4
45  B11R1.189  NCC1CCCN(CCO)C1 SBB010405 [0,1,0,1,0,0|2,0,0]=4