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1  B9R0.45  C(CCCCO)CCCO CHEBI:44630 [0,0,0,0,0,0|4,0,0]=4
2  B9R0.45  C(CCNCCCN)CN CHEBI:16610 [0,0,0,0,0,0|3,0,0]=3
3  B9R0.45  C(CN)CNC\C=C/CN CHEBI:48012 [0,0,0,0,0,0|3,0,1]=4
4  B9R0.45  C(CN)CNC\C=C\CN CHEBI:48008 [0,0,0,0,0,0|3,0,1]=4
5  B9R0.45  C(CN)CNC\C=C\CN CHEBI:48013 [0,0,0,0,0,0|3,0,1]=4
6  B9R0.45  C(CNCCNCCN)N CHEBI:39501 [0,0,0,0,0,0|0,0,0]=0
7  B9R0.45  C(COCCOCCO)O CHEBI:44926 [0,0,0,0,0,0|4,0,0]=4
8  B9R0.45  C(C\C=N\CCCN)CN CHEBI:48007 [0,0,0,0,0,0|3,0,1]=4
9  B9R0.45  CCCCCCCCCC CHEBI:41808 [0,0,0,0,0,0|4,0,0]=4
10  B9R0.45  CCCCCCCCCO CHEBI:35986 [0,0,0,0,0,0|4,0,0]=4
11  B8R0.4  C(CCNCCN)CN CHEBI:44736 [1,0,0,0,0,0|0,0,0]=1
12  B8R0.4  C(CN)CNCCCN CHEBI:16841 [1,0,0,0,0,0|2,0,0]=3
13  B8R0.4  CCCCCCCCC CHEBI:32892 [1,0,0,0,0,0|3,0,0]=4
14  B8R0.4  CCCCCCCCN CHEBI:7728 [1,0,0,0,0,0|2,0,0]=3
15  B8R0.4  CCCCCCCCO CHEBI:16188 [1,0,0,0,0,0|3,0,0]=4
16  B8R0.4  CCOCCOCCO CHEBI:40572 [1,0,0,0,0,0|3,0,0]=4
17  B10R0.71  C(CCN)CCNCCCN CHEBI:64860 [0,1,0,0,0,0|1,0,0]=2
18  B10R0.71  C(CCNCCCCN)CN CHEBI:16554 [0,1,0,0,0,0|2,0,0]=3
19  B10R0.71  C(CNCCN)CNCCN CHEBI:30348 [0,1,0,0,0,0|0,0,0]=1
20  B10R0.71  C(CNCCN)CNCCN CHEBI:30350 [0,1,0,0,0,0|0,0,0]=1
21  B10R0.71  CSCCCCCCCCN CHEBI:91159 [0,1,0,0,0,0|3,0,0]=4
22  B7R0.1  C(CCCN)CCN CHEBI:39618 [2,0,0,0,0,0|0,0,0]=2
23  B7R0.1  C(CCCO)CCO CHEBI:43078 [2,0,0,0,0,0|2,0,0]=4
24  B7R0.1  C(CCN)CCNO CHEBI:50440 [2,0,0,0,0,0|2,0,0]=4
25  B7R0.1  C(CN)CNCCS CHEBI:72583 [2,0,0,0,0,0|1,0,0]=3
26  B7R0.1  C(CSSCCN)N CHEBI:78757 [2,0,0,0,0,0|2,0,0]=4
27  B7R0.1  CCCCCCCC CHEBI:17590 [2,0,0,0,0,0|2,0,0]=4
28  B7R0.1  CCCCOCCO CHEBI:63921 [2,0,0,0,0,0|2,0,0]=4
29  B7R0.1  CCNCCNCC CHEBI:182290 [2,0,0,0,0,0|0,0,0]=2
30  B11R0.3  C(CN)CNCCNCCCN CHEBI:39476 [0,2,0,0,0,0|0,0,0]=2
31  B11R0.152  C(CCN)CC(CCCN)CN CHEBI:53653 [0,2,0,0,0,0|2,0,0]=4
32  B9R1.8  C1CCN(CC1)CCO CHEBI:61238 [1,0,0,1,0,0|2,0,0]=4
33  B9R1.8  C1COCCN1CCO CHEBI:67144 [1,0,0,1,0,0|2,0,0]=4
34  B9R1.8  CCC[C@H]1CCCCN1 CHEBI:28322 [1,0,0,1,0,0|2,0,0]=4
35  B9R1.103  C1CNCCNCCN1 CHEBI:37405 [1,0,0,1,0,0|0,0,0]=2