0  B12R1.252  O=C(O)CCCC1=CC=CC=C1      AK-96640 [1,0,0,0,0,0|2,1,0]=4
1  B12R1.252  O=C([O-])CCCC1=CC=CC=C1      AK-93011 [1,0,0,0,0,0|2,1,0]=4
2  B14R1.520  O=C(OCC)NCCC1=CC=CC=C1      AK-47113 [0,1,0,0,0,0|2,1,0]=4
3  B14R2.19  NC1=NNC(CC2=CC=CC=C2)=C1      AK146249 [0,0,0,1,0,0|2,0,1]=4
4  B14R2.19  O=C1OC[C@H](CC2=CC=CC=C2)N1      AK-73049 [0,0,0,1,0,0|2,1,0]=4
5  B14R2.19  [C@H]1(CC2=CC=CC=C2)NC(OC1)=O      AK-47452 [0,0,0,1,0,0|2,1,0]=4
6  B14R2.68  O=C1CN[C@@H](C2=CC=CC=C2)CO1      AK143261 [0,0,0,1,0,0|2,1,0]=4
7  B12R1.27  C1=C(CCC(OC)=O)C=CC=C1      AK-41212 [0,0,0,0,1,0|2,1,0]=4
8  B12R1.27  NNC(OCC1=CC=CC=C1)=O      AK-77420 [0,0,0,0,1,0|1,1,1]=4
9  B12R1.27  O=C(CCC1=CC=CC=C1)CBr      AK-40603 [0,0,0,0,1,0|2,1,0]=4
10  B12R1.27  O=C(OCC1=CC=CC=C1)CN      AK-41495 [0,0,0,0,1,0|2,1,0]=4
11  B12R1.27  O=C(OCC1=CC=CC=C1)CN      AK-45583 [0,0,0,0,1,0|2,1,0]=4
12  B13R1.513  CC(NCCC1=CC=C(O)C=C1)=O      AK106967 [1,1,0,0,0,0|1,1,0]=4
13  B15R1.9084  N=C(NCCC1=CC=CC=C1)NC(N)=N      AK307682 [0,2,0,0,0,0|1,0,1]=4
14  B13R2.3  C1=C(C2NCCNC2)C=CC=C1      AK-16309 [1,0,0,1,0,0|1,0,1]=4
15  B13R2.1613  O\N=C\1CCCC2=C1C=CC=C2      AK-46867 [1,0,0,1,0,0|2,0,0]=4
16  B13R2.10  C1=C(C2CC(=O)NC2)C=CC=C1      AK-23788 [1,0,0,1,0,0|1,1,0]=4
17  B13R2.10  O=C1OC[C@@H](C2=CC=CC=C2)N1      AK-68242 [1,0,0,1,0,0|1,1,0]=4
18  B13R2.10  [C@H]1(NC(OC1)=O)C2=CC=CC=C2      AK-47582 [1,0,0,1,0,0|1,1,0]=4
19  B13R2.72  CC(N1CCC2=C1C=CC=C2)=O      AK-47012 [1,0,0,1,0,0|1,1,0]=4
20  B13R2.163  C1=CC=CC2=C1NC(=O)CCC2      AK-25978 [1,0,0,1,0,0|1,1,0]=4
21  B13R2.163  O=C1NCCC2=CC=CC=C2N1      AK551054 [1,0,0,1,0,0|0,1,0]=3
22  B11R1.91  N=C(N)SCC1=CC=CC=C1      AK307386 [1,0,0,0,1,0|2,0,0]=4
23  B11R1.91  NC(OCC1=CC=CC=C1)=O      AK-77001 [1,0,0,0,1,0|1,1,0]=4
24  B11R1.91  O=C(Cl)CCC1=CC=CC=C1      AK109324 [1,0,0,0,1,0|1,1,0]=4
25  B11R1.91  O=C(N)CCC1=CC=CC=C1      AK392491 [1,0,0,0,1,0|0,1,0]=3
26  B11R1.91  O=C(O)CCC1=CC=CC=C1      AK-94756 [1,0,0,0,1,0|1,1,0]=4
27  B11R1.40  NNC(=O)CC1=CC=CC=C1      AK-77117 [0,0,0,0,2,0|0,1,1]=4