0 B11R0.148 B(C=CCCCCCCC)(O)O PI-25692 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.148 CCCCCCCCNC(=S)N PI-14651 [0,0,0,0,0,0|2,1,1]=4 4 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.4 B(C=CCCCCCC)(O)O PI-18545 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [1,0,0,0,0,0|1,0,2]=4 8 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [1,0,0,0,0,0|0,0,2]=3 12 B10R0.4 NCCCCCCCC(=O)O PI-24013 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.71 CCCCCC=CC=CC=O PI-48529 [1,0,0,0,0,0|0,0,2]=3 14 B10R0.71 CCCCCCCCN=C=O PI-11406 [1,0,0,0,0,0|1,0,2]=4 15 B12R0.4 CCCCCCCC(C)OC(=O)C PI-26149 [0,1,0,0,0,0|2,0,1]=4 16 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,1,0,0,0,0|0,0,3]=4 17 B12R0.234 C(CCCC=CC(=O)O)CCCO PI-39050 [0,1,0,0,0,0|0,0,0]=1 18 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,1,0,0,0,0|1,0,2]=4 19 B12R0.248 CCCCCCCCOC(=O)CN PI-15959 [0,1,0,0,0,0|2,0,1]=4 20 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,1,0,0,0,0|1,0,2]=4 21 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,1,0,0,0,0|0,0,2]=3 22 B12R1.7 CCCCCCC1=CC=C(S1)Br PI-45452 [0,0,0,1,0,0|1,1,1]=4 23 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,0,0,1,0,0|0,0,2]=3 24 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,0,0,1,0,0|0,0,2]=3 25 B12R1.252 C1CCC(CC1)CCCC(=O)O PI-27597 [0,0,0,1,0,0|0,0,2]=3 26 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,0,0,1,0,0|0,0,3]=4 27 B12R1.252 C1CNCCC1CCCC(=O)O PI-26940 [0,0,0,1,0,0|1,0,2]=4 28 B9R0.2 B(C=CCCCCC)(O)O PI-25691 [2,0,0,0,0,0|1,0,1]=4 29 B9R0.2 BrCCCCCCC(=O)O PI-36573 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.2 NCCCCCCC(=O)O PI-11340 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.2 O=C(O)CCCCCCO PI-37225 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.45 C=CCCCCCCCBr PI-37398 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.45 CCCCCCC=CCO PI-46869 [2,0,0,0,0,0|0,0,1]=3 36 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [2,0,0,0,0,0|0,0,2]=4 37 B11R0.2 CCCCCCC(CC(=O)O)O PI-29567 [1,1,0,0,0,0|0,0,1]=3 38 B11R0.30 CC(C)CCCCCCC(=O)O PI-29732 [1,1,0,0,0,0|0,0,1]=3 39 B11R0.42 CCCCCCCC(C(=O)O)N PI-29685 [1,1,0,0,0,0|0,0,1]=3 40 B11R0.42 CCCCCCCC(C(=O)O)O PI-29857 [1,1,0,0,0,0|0,0,1]=3 41 B11R0.46 CCCCCC(C)CCC(=O)O PI-29603 [1,1,0,0,0,0|0,0,1]=3 42 B11R0.46 CCCCCN(C)CCC(=O)O PI-21908 [1,1,0,0,0,0|1,0,1]=4 43 B11R0.159 CCCCCCCCP(=O)(O)O PI-40610 [1,1,0,0,0,0|1,0,1]=4 44 B13R0.54 C(CCCCCO)CCCCC(=O)O PI-20902 [0,2,0,0,0,0|0,0,2]=4 45 B13R0.54 C(CCCCCS)CCCCC(=O)O PI-46874 [0,2,0,0,0,0|0,0,2]=4 46 B13R0.54 NCCCCCCCCCCC(O)=O PI-42137 [0,2,0,0,0,0|0,0,2]=4 47 B13R0.54 O=C(O)CCCCCCCCCCBr PI-42134 [0,2,0,0,0,0|0,0,2]=4 48 B13R0.147 CCCCCCCCCCC(=O)OC PI-43372 [0,2,0,0,0,0|0,0,2]=4 49 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [1,0,0,1,0,0|0,0,1]=3 50 B11R1.4 CCCCCCc1cccs1 PI-36455 [1,0,0,1,0,0|0,1,1]=4 51 B13R1.27 CCCCCCCC1=NNC(=S)O1 PI-32325 [0,1,0,1,0,0|1,1,0]=4 52 B13R1.337 OC(=O)CCCCC1CCCCC1 PI-30754 [0,1,0,1,0,0|0,0,2]=4 53 B13R1.351 O=C(O)[C@@H](N)CCC1CCCCC1 PI-42141 [0,1,0,1,0,0|0,0,2]=4 54 B13R1.351 O=C(O)[C@H](N)CCC1CCCCC1 PI-42139 [0,1,0,1,0,0|0,0,2]=4 55 B13R2.435 OC(=O)C1CC2C(N1)CCCC2 PI-12878 [0,0,0,2,0,0|1,0,1]=4 56 B13R2.435 OC(=O)[C@@H]1C[C@@H]2[C@@H](N1)CCCC2 PI-33514 [0,0,0,2,0,0|1,0,1]=4 57 B13R2.435 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2 PI-12879 [0,0,0,2,0,0|1,0,1]=4