0  B13R1.24  CCCCOC(=O)C1=CC=CN=C1      AK102497 [1,0,0,0,0,0|1,0,0]=2
1  B15R1.8019  O=C(OCCC(C)C)C1=CC=CC=C1O      AK-93449 [0,1,0,0,0,0|0,0,0]=1
2  B15R2.358  O=C(C1=CC=CC=C1F)C2CCCC2      AK184189 [0,0,0,1,0,0|2,0,0]=3
3  B12R1.8  BrCCCOCC1=CC=CC=C1      AK-47534 [2,0,0,0,0,0|1,0,1]=4
4  B12R1.8  NCCCOCC1=CC=CC=C1      AK-33608 [2,0,0,0,0,0|1,0,1]=4
5  B12R1.8  OCCCOCC1=CC=CC=C1      AK-99881 [2,0,0,0,0,0|1,0,1]=4
6  B12R1.30  CNCCC(C1=CC=CC=C1)=O      AK400477 [2,0,0,0,0,0|1,0,0]=3
7  B12R1.30  O=C(OCCC)C1=CC=CC=C1      AK-93452 [2,0,0,0,0,0|0,0,0]=2
8  B12R1.308  C(C)OC(C1=CN=CC=C1Cl)=O      AK-29976 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.308  C1=CC=CC(=C1C(OCC)=O)F      AK-46540 [2,0,0,0,0,0|1,0,0]=3
10  B12R1.308  C1=CC=NC(=C1C(OCC)=O)Cl      AK-39200 [2,0,0,0,0,0|2,0,0]=4
11  B12R1.308  CCOC(=O)C1=CC=CN=C1Br      AK-35509 [2,0,0,0,0,0|2,0,0]=4
12  B12R1.308  CCOC(=O)C1=CC=CN=C1C      AK-25491 [2,0,0,0,0,0|2,0,0]=4
13  B12R1.308  NC1=C(C(=O)OCC)C=CC=N1      AK-23890 [2,0,0,0,0,0|2,0,0]=4
14  B12R1.308  NC1=C(C=CN=C1)C(=O)OCC      AK-21982 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.308  O=C(OCC)C1=CC=CC=C1Cl      AK117233 [2,0,0,0,0,0|1,0,0]=3
16  B12R1.308  O=C(OCC)C1=CC=CC=C1I      AK-94262 [2,0,0,0,0,0|1,0,0]=3
17  B12R1.308  O=C(OCC)C1=CC=CC=C1O      AK114211 [2,0,0,0,0,0|0,0,0]=2
18  B12R1.308  O=C(OCC)C1=CC=NC=C1Cl      AK167712 [2,0,0,0,0,0|2,0,0]=4
19  B12R1.308  O=C(OCC)C1=NC=CC=C1Br      AK128513 [2,0,0,0,0,0|2,0,0]=4
20  B12R1.308  O=C(OCC)C1=NC=CC=C1N      AK-76176 [2,0,0,0,0,0|2,0,0]=4
21  B12R1.308  O=C(OCC)C1=NC=CC=C1O      AK126269 [2,0,0,0,0,0|1,0,0]=3
22  B14R1.19  CCCCOC(=O)C1=CC=C(N)C=C1      AK-41115 [1,1,0,0,0,0|0,0,0]=2
23  B14R1.19  O=C(OCCCC)C1=CC=C(O)C=C1      AK113821 [1,1,0,0,0,0|0,0,0]=2
24  B14R1.420  O=C(OCCN(C)C)C1=CC=CC=C1      AK139900 [1,1,0,0,0,0|1,0,0]=3
25  B14R1.774  CCCCCCC1=C(O)C=C(O)C=C1      AK-25396 [1,1,0,0,0,0|1,0,1]=4
26  B14R1.160  O=C(OCC(C)=O)C1=CC=CC=C1N      AK152077 [1,1,0,0,0,0|1,0,1]=4
27  B14R2.114  O=C(C1=CC=CC=C1)C2CNCC2      AK199238 [1,0,0,1,0,0|2,0,0]=4
28  B16R2.2441  CCCCOC1=CC=C2C=CC=CC2=C1      AK122146 [0,0,0,1,0,1|2,0,0]=4