0  B14R1.420  CN(C)CCOC(=O)C1=CC=CC=C1 SY043362 [0,0,0,0,0,0|1,0,0]=1
1  B14R1.420  O=C(O)CCCC(=O)C1=CC=CC=C1 SY023883 [0,0,0,0,0,0|3,0,1]=4
2  B14R1.420  O=C(OCC[N+](=O)[O-])C1=CC=CC=C1 SY122745 [0,0,0,0,0,0|3,0,0]=3
3  B13R1.24  CNCCCC(=O)C1=CC=CN=C1 SY283926 [1,0,0,0,0,0|3,0,0]=4
4  B15R1.959  COC(=O)CCCC(=O)C1=CC=CC=C1 SY022040 [0,1,0,0,0,0|2,0,1]=4
5  B15R1.959  COC(=O)CCNC(=O)C1=CC=CC=C1 SY011674 [0,1,0,0,0,0|2,0,1]=4
6  B15R2.586  CC1(C)CNN=C(C2=CC=CC=C2)C1 SY273262 [0,0,0,1,0,0|3,0,0]=4
7  B15R2.14628  CC(C)N1CCC(=O)C2=C1C=CC=C2 SY250090 [0,0,0,1,0,0|2,0,0]=3
8  B13R1.45  CC(C)=NOC(=O)C1=CC=CC=C1 SY102616 [0,0,0,0,1,0|1,0,1]=3
9  B13R1.45  CC(C)NNC(=O)C1=CC=NC=C1 SY025980 [0,0,0,0,1,0|3,0,0]=4
10  B13R1.45  CC(O)CNC(=O)C1=CC=CC=C1 SY016204 [0,0,0,0,1,0|2,0,0]=3
11  B13R1.45  O=C(O)CCC(=O)C1=CC=CC=C1 SY011505 [0,0,0,0,1,0|2,0,1]=4
12  B12R1.8  BrCCCOCC1=CC=CC=C1 SY013896 [2,0,0,0,0,0|1,0,1]=4
13  B12R1.8  OCCCOCC1=CC=CC=C1 SY015683 [2,0,0,0,0,0|1,0,1]=4
14  B12R1.30  CCCCC(=O)C1=CC=CC=C1 SY013718 [2,0,0,0,0,0|0,0,0]=2
15  B12R1.30  CCCOC(=O)C1=CN=CC=C1 SY273653 [2,0,0,0,0,0|1,0,0]=3
16  B12R1.30  O=C(OCCCl)C1=CC=CC=C1 SY042617 [2,0,0,0,0,0|1,0,0]=3
17  B14R1.19  CCCCOC(=O)C1=CC=C(N)C=C1 SY051932 [1,1,0,0,0,0|0,0,0]=2
18  B14R1.678  CC1=CC=C(C(=O)CCN(C)C)C=C1 SY004002 [0,1,0,0,1,0|1,0,0]=3
19  B14R1.678  CN(C)CCC(=O)C1=CC=C(Cl)C=C1 SY003981 [0,1,0,0,1,0|1,0,0]=3
20  B14R1.678  CN(C)CCC(=O)C1=CC=C(O)C=C1 SY288308 [0,1,0,0,1,0|1,0,0]=3
21  B14R2.8  OC[C@@H]1COC(C2=CC=CC=C2)=N1 SY131063 [1,0,0,1,0,0|2,0,0]=4
22  B14R2.114  O=C(C1=CC=CC=C1)C2CCCC2 SY015104 [1,0,0,1,0,0|1,0,0]=3
23  B14R2.436  OC1CC(OCC2=CC=CC=C2)C1 SY048107 [1,0,0,1,0,0|1,0,1]=4
24  B14R2.3018  C1=CC=C(COCCC2CO2)C=C1 SY028858 [1,0,0,1,0,0|1,0,1]=4
25  B14R2.3018  C1=CC=C(COCC[C@@H]2CO2)C=C1 SY263579 [1,0,0,1,0,0|1,0,1]=4
26  B14R2.29285  CC1(C)CCC(=O)C2=C1C=CC=C2 SY042790 [0,0,0,1,1,0|0,0,0]=2
27  B16R2.2829  CN1CCC(OC(=O)C2=CC=CC=C2)C1 SY029348 [0,0,0,1,0,1|1,0,0]=3
28  B16R2.2309  CC(C)(C)[C@H]1COC(C2=NC=CC=C2)=N1 SY055867 [0,1,0,1,0,0|2,0,0]=4
29  B12R1.252  CC(O)COCC1=CC=CC=C1 SY115719 [1,0,0,0,1,0|1,0,1]=4
30  B12R1.252  C[C@@H](O)COCC1=CC=CC=C1 SY226247 [1,0,0,0,1,0|1,0,1]=4
31  B12R1.252  C[C@H](O)COCC1=CC=CC=C1 SY059957 [1,0,0,0,1,0|1,0,1]=4
32  B12R1.54  CN(C)CCC(=O)C1=CC=CS1 SY004008 [0,0,0,0,2,0|2,0,0]=4
33  B12R1.107  CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,0,0,0,2,0|1,0,1]=4