0  B14R1.123  BrCCCCCCCC1=CC=CC=C1 008937 [1,0,0,0,0,0|2,0,1]=4
1  B14R1.123  CCCCCCCCC1=CC=NC=C1 319891 [1,0,0,0,0,0|2,0,1]=4
2  B14R1.123  CCCCNCCCC1=CC=CC=C1 180604 [1,0,0,0,0,0|2,0,1]=4
3  B14R1.123  OCCOCCOCC1=CC=CC=C1 339975 [1,0,0,0,0,0|2,0,1]=4
4  B16R1.7596  CC\C=C/CCOC(=O)C1=CC=CC=C1O 106718 [0,1,0,0,0,0|0,0,2]=3
5  B16R2.88  O=C(NC1CCCCC1)C2=CC=CC=C2 180762 [0,0,0,1,0,0|1,0,0]=2
6  B16R2.88  O=C(NC1CCNCC1)C2=CC=CC=C2 025060 [0,0,0,1,0,0|2,0,0]=3
7  B16R2.88  O=S(NC1CCCCC1)C2=CC=CC=C2 187656 [0,0,0,1,0,0|2,0,0]=3
8  B16R2.3896  O=C1CCCCC1C(=O)C2=CC=CC=C2 243213 [0,0,0,1,0,0|2,0,1]=4
9  B16R1.693  CCCCCCCC(=S)NC1=CC=CC=C1 190110 [0,0,0,0,0,1|1,1,0]=3
10  B16R1.693  CCCCCCNC(=O)NC1=CC=CC=C1 094181 [0,0,0,0,0,1|1,0,0]=2
11  B16R1.693  CCCCCCNC(=S)NC1=CC=CC=C1 018708 [0,0,0,0,0,1|1,1,0]=3
12  B13R1.24  CCCCCC(=O)C1=CC=CC=C1 103414 [2,0,0,0,0,0|0,0,0]=2
13  B13R1.24  CCCCNC(=O)C1=CC=CC=C1 104645 [2,0,0,0,0,0|1,0,0]=3
14  B13R1.24  CCCCOC(=O)C1=CC=NC=C1 180449 [2,0,0,0,0,0|1,0,0]=3
15  B13R1.28  BrCCCCCCC1=CC=CC=C1 008934 [2,0,0,0,0,0|1,0,1]=4
16  B13R1.28  CCCCCSCC1=CC=CC=C1 094644 [2,0,0,0,0,0|0,1,1]=4
17  B13R1.28  OCCCCCCC1=CC=CC=C1 003386 [2,0,0,0,0,0|1,0,1]=4
18  B13R1.28  OCCCCOCC1=CC=CC=C1 224435 [2,0,0,0,0,0|1,0,1]=4
19  B15R1.12  CCCCCCCOC1=CC=C(N)C=C1 003538 [1,1,0,0,0,0|2,0,0]=4
20  B15R1.35  BrCCCCCCCCC1=CC=CC=C1 008938 [1,1,0,0,0,0|1,0,1]=4
21  B17R1.1292  CCCCCCCNC(=S)NC1=CC=CC=C1 018705 [0,1,0,0,0,1|1,1,0]=4
22  B15R2.2226  O=C(C1=CC=CC=C1)C2CCCCC2 204152 [1,0,0,1,0,0|0,0,0]=2
23  B15R2.2226  O=C(C1=CC=CC=C1)N2CCNCC2 021272 [1,0,0,1,0,0|2,0,0]=4
24  B15R2.2226  O=C(C1=CC=CC=C1)N2CCOCC2 180590 [1,0,0,1,0,0|2,0,0]=4
25  B17R2.143  S=C(NC1=CC=CC=C1)NC2CCCCC2 018478 [0,0,0,1,0,1|1,1,0]=4
26  B17R2.192  O=C(NC1CCCCC1)C2=CC=C(Br)C=C2 235998 [0,1,0,1,0,0|1,0,0]=3
27  B17R2.5273  O=C(NC1CCCCC1)C2=CC=CC(Br)=C2 235997 [0,1,0,1,0,0|1,0,0]=3
28  B17R1.1287  O=C(NCCCCCO)OCC1=CC=CC=C1 244729 [0,0,0,0,0,2|2,0,0]=4
29  B17R1.1287  [NH3+]CCCCCNC(=O)OCC1=CC=CC=C1 330588 [0,0,0,0,0,2|2,0,0]=4