0  B14R1.540  CC(C)C\C=C(\C=O)C1=CC=CC=C1 HR122652 [0,0,0,0,0,0|0,0,0]=0
1  B13R1.45  CC(C)COC(=O)C1=CC=CC=C1 HR115410 [1,0,0,0,0,0|1,0,0]=2
2  B13R1.45  CC(O)CCC(=O)C1=CC=CC=C1 HR136596 [1,0,0,0,0,0|1,0,1]=3
3  B13R1.45  CN(C)CCC(=O)C1=CC=CC=C1 HR135069 [1,0,0,0,0,0|1,0,1]=3
4  B13R1.45  CN(C)CCC(=O)C1=CC=CC=C1 HR142562 [1,0,0,0,0,0|1,0,1]=3
5  B13R1.45  CN(C)\C=C\C(=O)C1=CC=CN=C1 HR126711 [1,0,0,0,0,0|2,0,1]=4
6  B13R1.45  CN(C)\C=C\C(=O)C1=CC=NC=C1 HR150969 [1,0,0,0,0,0|2,0,1]=4
7  B13R1.45  O=C(CCC(Cl)Cl)C1=CC=CC=C1 HR116696 [1,0,0,0,0,0|2,0,1]=4
8  B15R2.39201  CC(=O)N1C=C(C=O)C2=CC=CC=C21 HR136194 [0,0,0,1,0,0|2,0,1]=4
9  B12R1.30  CCCCC(=O)C1=CC=CC=C1 HR134818 [2,0,0,0,0,0|0,0,1]=3
10  B12R1.30  CCCOC(=O)C1=CC=CC=C1 HR120887 [2,0,0,0,0,0|1,0,0]=3
11  B12R1.30  O=C(CCCO)C1=CC=CC=C1 HR129432 [2,0,0,0,0,0|1,0,1]=4
12  B12R1.30  O=C(NCCCl)C1=CC=CC=C1 HR143643 [2,0,0,0,0,0|2,0,0]=4
13  B12R1.30  O=C(OCCBr)C1=CC=CC=C1 HR106956 [2,0,0,0,0,0|2,0,0]=4
14  B12R1.30  O=C(OCCCl)C1=CC=CC=C1 HR118335 [2,0,0,0,0,0|2,0,0]=4
15  B14R1.178  CCCCN(C(C)=O)C1=CC=CC=C1 HR123946 [1,1,0,0,0,0|1,0,1]=4
16  B14R1.160  CC(C)COC(=O)C1=C(N)C=CC=C1 HR127044 [1,1,0,0,0,0|1,0,0]=3
17  B14R1.160  CC(C)COC(=O)C1=CC=CC=C1O HR124358 [1,1,0,0,0,0|1,0,0]=3
18  B14R1.163  O=C(OCC(O)CO)C1=CC=CC=C1 APSA07214 [1,1,0,0,0,0|2,0,0]=4
19  B14R1.417  CC(Cl)CC(Cl)C(=O)c1ccccc1 HR136013 [1,1,0,0,0,0|1,0,1]=4
20  B14R1.678  CC(C)COC(=O)C1=CC=C(O)C=C1 HR127747 [1,1,0,0,0,0|1,0,0]=3
21  B14R2.2974  O=CC1(C2=CC=CC=C2)CCCC1 HR112348 [1,0,0,1,0,0|0,0,2]=4
22  B14R2.29285  CC1(C)CCC(=O)C2=CC=CC=C21 HR139823 [1,0,0,1,0,0|0,0,1]=3
23  B14R2.2  CN(C)CC1=CNC2=CC=CC=C12 HR124439 [0,0,0,1,1,0|2,0,0]=4
24  B16R2.477  CC(C)COC1=CC2=CC=CC=C2C=C1 HR121097 [0,0,0,1,0,1|2,0,0]=4
25  B16R2.85  CC(C)C1=CC=C(C2=CC=CC=C2)C=C1 HR144318 [0,0,0,1,0,1|1,0,1]=4
26  B12R1.107  CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [1,0,0,0,1,0|1,0,1]=4
27  B12R1.107  CC(C)CC(=O)C1=CC=CC=C1 HR101162 [1,0,0,0,1,0|0,0,0]=2
28  B12R1.107  CC(C)CC(N)C1=CC=CC=C1 HR147366 [1,0,0,0,1,0|1,0,1]=4
29  B14R1.420  CC(C)CCOC(=O)C1=CC=CC=C1 HR133921 [1,0,0,0,0,1|0,0,1]=3
30  B14R1.420  CN(C)CCOC(=O)C1=CC=CC=C1 HR136932 [1,0,0,0,0,1|1,0,1]=4
31  B14R1.423  CC(C)COC(=O)CC1=CC=CC=C1 HR132867 [1,0,0,0,0,1|1,0,0]=3