0 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 CCCCCCCCNC(=S)N PI-14651 [0,0,0,0,0,0|2,1,0]=3 3 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.4 NCCCCCCCC(=O)O PI-24013 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.71 BrCCCCCCCCC=C PI-39247 [1,0,0,0,0,0|1,0,1]=3 12 B10R0.71 C(CCCCBr)CCCCBr PI-39736 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.71 C(CCCCO)CCCCO PI-44645 [1,0,0,0,0,0|1,0,2]=4 14 B10R0.71 CCCCCC=CCCC=O PI-20940 [1,0,0,0,0,0|0,0,2]=3 15 B10R0.71 CCCCCCCCCCF PI-23565 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.71 CCCCCCCCCCN PI-40487 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.71 CCCCCCCCN=C=O PI-11406 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.71 CCCCCCCCN=C=S PI-14645 [1,0,0,0,0,0|1,1,1]=4 19 B10R0.71 CCCCCCNCCC#N PI-20710 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.71 CCCCCCNCCCN PI-39642 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.71 OCCCCCCCCCBr PI-38637 [1,0,0,0,0,0|1,0,2]=4 22 B12R0.4 CCCCCCCC(=O)CC(C)C PI-42689 [0,1,0,0,0,0|1,0,2]=4 23 B12R0.4 CCCCCCCC(C)OC(=O)C PI-26149 [0,1,0,0,0,0|1,0,0]=2 24 B12R0.4 CCCCCCCC(CC(C)C)O PI-42720 [0,1,0,0,0,0|1,0,1]=3 25 B12R0.119 O=S(OCCCCCCCC)([O-])=O PI-39390 [0,1,0,0,0,0|3,0,0]=4 26 B12R0.184 CC(=O)OCCCCCC(=O)OC PI-26044 [0,1,0,0,0,0|2,0,1]=4 27 B12R0.184 O=C(OC)CCCCCCC(O)=O PI-37232 [0,1,0,0,0,0|2,0,1]=4 28 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,1,0,0,0,0|1,0,1]=3 29 B12R0.234 C(CCCC=CC(=O)O)CCCO PI-39050 [0,1,0,0,0,0|1,0,2]=4 30 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,1,0,0,0,0|1,0,0]=2 31 B12R0.234 NCCNCCNCCNC(C)=O PI-37071 [0,1,0,0,0,0|3,0,0]=4 32 B12R0.248 CCCCCCCCNC(=S)NN PI-14650 [0,1,0,0,0,0|2,1,0]=4 33 B12R0.248 CCCCCCCCOC(=O)CN PI-15959 [0,1,0,0,0,0|1,0,0]=2 34 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,1,0,0,0,0|1,0,0]=2 35 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,0,0,1,0,0|1,0,0]=2 37 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,0,0,1,0,0|1,0,0]=2 38 B12R1.75 CC(=O)C[C@@H]1[C@H](CCCN1)OC PI-48669 [0,0,0,1,0,0|2,0,0]=3 39 B12R1.252 C1CCC(CC1)CCCC(=O)O PI-27597 [0,0,0,1,0,0|1,0,0]=2 40 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,0,0,1,0,0|1,0,0]=2 41 B12R1.252 C1CNCCC1CCCC(=O)O PI-26940 [0,0,0,1,0,0|2,0,0]=3 42 B12R1.255 C1CSSC1CCCCC(=O)N PI-38396 [0,0,0,1,0,0|3,0,0]=4 43 B12R1.255 C1CSSC1CCCCC(=O)O PI-14327 [0,0,0,1,0,0|3,0,0]=4 44 B12R1.255 OC(=O)CCCC[C@H]1SSCC1 PI-16001 [0,0,0,1,0,0|3,0,0]=4 45 B9R0.2 BrCCCCCCC(=O)O PI-36573 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.2 CC(=O)OCCCCCCl PI-44263 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.2 NCCCCCCC(=O)O PI-11340 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.2 O=C(O)CCCCCCO PI-37225 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.45 C(CCCCCl)CCCCl PI-10977 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.45 C(CCCCI)CCCI PI-46866 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.45 C(CCCCN)CCCN PI-44644 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.45 C(CCCCO)CCCO PI-16494 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.45 C=CCCCCCCCBr PI-37398 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.45 CCCCCCCCC#C PI-12874 [2,0,0,0,0,0|0,0,2]=4 56 B9R0.45 CCCCNCCCCO PI-47099 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.45 OCCCCCCCCBr PI-41510 [2,0,0,0,0,0|1,0,1]=4 58 B11R0.2 CCCCCCC(CC(=O)O)O PI-29567 [1,1,0,0,0,0|1,0,0]=3 59 B11R0.30 CC(C)CCCCCCC(=O)O PI-29732 [1,1,0,0,0,0|1,0,0]=3 60 B11R0.42 CCCCCCCC(C(=O)O)N PI-29685 [1,1,0,0,0,0|1,0,0]=3 61 B11R0.42 CCCCCCCC(C(=O)O)O PI-29857 [1,1,0,0,0,0|1,0,0]=3 62 B11R0.46 CCCCCC(C)CCC(=O)O PI-29603 [1,1,0,0,0,0|1,0,0]=3 63 B11R0.46 CCCCCN(C)CCC(=O)O PI-21908 [1,1,0,0,0,0|2,0,0]=4 64 B11R0.159 CCCCCCCCP(=O)(O)O PI-40610 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.159 CCCCCCCCS(=O)(=O)[O-] PI-12117 [1,1,0,0,0,0|2,0,0]=4 66 B11R0.159 CCCCCCCC[Si](C)(C)Cl PI-45168 [1,1,0,0,0,0|1,1,0]=4 67 B11R0.3 C(CCCCCCl)CCCCCl PI-44642 [1,1,0,0,0,0|1,0,1]=4 68 B11R0.3 C(CCCCCO)CCCCO PI-44637 [1,1,0,0,0,0|0,0,2]=4 69 B11R0.3 C=CCCCCCCCCC=O PI-47214 [1,1,0,0,0,0|0,0,1]=3 70 B11R0.3 C=CCCCCCCCCCBr PI-47212 [1,1,0,0,0,0|0,0,1]=3 71 B11R0.3 C=CCCCCCCCCCCl PI-47213 [1,1,0,0,0,0|0,0,1]=3 72 B11R0.3 C=CCCCCCCCCCN PI-47211 [1,1,0,0,0,0|0,0,1]=3 73 B11R0.3 C=CCCCCCCCCCO PI-40501 [1,1,0,0,0,0|0,0,1]=3 74 B11R0.3 CCCCCCCCCCCO PI-40504 [1,1,0,0,0,0|0,0,1]=3 75 B11R0.3 CCNCCCCCCNCC PI-44391 [1,1,0,0,0,0|1,0,1]=4 76 B11R0.140 CCCCCC(CCCCC)O PI-47218 [1,1,0,0,0,0|0,0,1]=3 77 B13R0.88 CCOC(=O)CCCCCCC(=O)O PI-19126 [0,2,0,0,0,0|1,0,1]=4 78 B13R0.201 COC(=O)CCCCCCC(=O)OC PI-44640 [0,2,0,0,0,0|1,0,1]=4 79 B13R0.54 C(CCCCCO)CCCCC(=O)O PI-20902 [0,2,0,0,0,0|1,0,0]=3 80 B13R0.54 C(CCCCCS)CCCCC(=O)O PI-46874 [0,2,0,0,0,0|1,0,0]=3 81 B13R0.54 NCCCCCCCCCCC(O)=O PI-42137 [0,2,0,0,0,0|1,0,0]=3 82 B13R0.54 O=C(O)CCCCCCCCCCBr PI-42134 [0,2,0,0,0,0|1,0,0]=3 83 B13R0.147 CCCCCCCCCCC(=O)OC PI-43372 [0,2,0,0,0,0|0,0,0]=2 84 B13R0.147 CCCCCCCCCOC(=O)C=C PI-40438 [0,2,0,0,0,0|0,0,1]=3 85 B13R0.147 COC(=O)CCCCCCCCC=C PI-47198 [0,2,0,0,0,0|0,0,1]=3 86 B13R0.147 COC(=O)CCCCCCCCC=O PI-46870 [0,2,0,0,0,0|0,0,1]=3 87 B13R0.150 CCCCCCCCCC(=O)N(C)C PI-31785 [0,2,0,0,0,0|0,0,0]=2 88 B13R0.2 BrCCCCCCCCC(=O)OCC PI-29431 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [1,0,0,1,0,0|1,0,0]=3 90 B11R1.17 O=C1C(CCC#N)CCCC1 PI-37255 [1,0,0,1,0,0|1,0,1]=4 91 B11R1.28 OCCCCC1CCCCC1 PI-17588 [1,0,0,1,0,0|0,0,2]=4 92 B13R1.337 OC(=O)CCCCC1CCCCC1 PI-30754 [0,1,0,1,0,0|1,0,0]=3 93 B13R1.351 O=C(O)[C@@H](N)CCC1CCCCC1 PI-42141 [0,1,0,1,0,0|1,0,0]=3 94 B13R1.351 O=C(O)[C@H](N)CCC1CCCCC1 PI-42139 [0,1,0,1,0,0|1,0,0]=3 95 B13R2.1287 CC(=O)OC1CN2CCC1CC2 PI-26794 [0,0,0,2,0,0|2,0,0]=4 96 B13R2.435 OC(=O)C1CC2C(N1)CCCC2 PI-12878 [0,0,0,2,0,0|2,0,0]=4 97 B13R2.435 OC(=O)[C@@H]1C[C@@H]2[C@@H](N1)CCCC2 PI-33514 [0,0,0,2,0,0|2,0,0]=4 98 B13R2.435 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2 PI-12879 [0,0,0,2,0,0|2,0,0]=4