0 B11R0.148 CCCCCCCCCC(=O)O C01571 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.148 CCCCCCCCCC(C)=O C01875 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.148 O=CCCCCCCCC(=O)O C16322 [0,0,0,0,0,0|1,0,1]=2 3 B11R0.148 [*]NCCNCCNCC(=O)O C18370 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.4 CCCCCCCCC(=O)O C01601 [1,0,0,0,0,0|0,0,0]=1 5 B10R0.71 CCCCCCCCCC=O C12307 [1,0,0,0,0,0|0,0,0]=1 6 B10R0.71 CCCCCCCCCCO C01633 [1,0,0,0,0,0|0,0,1]=2 7 B10R0.71 CSCCCCCC\C=N\O C17249 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.4 CCCCCCCC(=O)CC(=O)O C20714 [0,1,0,0,0,0|0,0,1]=2 9 B12R0.234 C=CCCCCCCCCC(=O)O C13910 [0,1,0,0,0,0|0,0,1]=2 10 B12R0.234 CC(=O)NCCCCNCCCN C01029 [0,1,0,0,0,0|3,0,0]=4 11 B12R0.234 CC(=O)NCCCNCCCCN C00612 [0,1,0,0,0,0|3,0,0]=4 12 B12R0.234 CCCCCCCCCCC(=O)O C17715 [0,1,0,0,0,0|0,0,0]=1 13 B12R0.234 O=C(O)CCCCCCCCCO C02774 [0,1,0,0,0,0|0,0,0]=1 14 B12R0.234 O=CCCCCCCCCC(=O)O C02217 [0,1,0,0,0,0|0,0,1]=2 15 B12R0.248 CCCCCCCCCC(=O)NO C12889 [0,1,0,0,0,0|0,0,0]=1 16 B12R0.248 [*]SC(=O)CCCCCCCCC C05755 [0,1,0,0,0,0|0,1,0]=2 17 B12R0.248 [*]SC(=O)C\C=C/CCCCCC C04180 [0,1,0,0,0,0|0,1,2]=4 18 B12R0.248 [*]SC(=O)\C=C\CCCCCCC C05754 [0,1,0,0,0,0|0,1,2]=4 19 B12R0.251 CCCCCCCCC(=O)C(=O)O C13945 [0,1,0,0,0,0|0,0,1]=2 20 B12R0.251 CSCCCCCCC(=O)C(=O)O C17224 [0,1,0,0,0,0|1,0,1]=3 21 B12R0.251 CSCCCCCC[C@H](N)C(=O)O C17225 [0,1,0,0,0,0|1,0,0]=2 22 B12R0.251 NCCCCNCCC(N)C(=O)O C18172 [0,1,0,0,0,0|2,0,0]=3 23 B12R0.268 O=C(O)CCCCCCCC(=O)O C08261 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.255 NC(=O)CCCCC1CCSS1 C00248 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.255 O=C(O)CCCCC1CCSS1 C00725 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 C16241 [0,0,0,1,0,0|2,0,0]=3 27 B9R0.2 CCCCCCCC(=O)O C06423 [2,0,0,0,0,0|0,0,0]=2 28 B9R0.2 O=C(O)CCCCCCS C16593 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.2 O=CCCCCCC(=O)O C16590 [2,0,0,0,0,0|1,0,1]=4 30 B9R0.45 CCCCCCCCCO C14696 [2,0,0,0,0,0|0,0,0]=2 31 B9R0.45 OCCCCCCCCO C14218 [2,0,0,0,0,0|1,0,0]=3 32 B11R0.30 CC(C)\C=C\CCCCC(=O)O C18202 [1,1,0,0,0,0|0,0,2]=4 33 B11R0.30 O=C(O)CCCCCCC(=O)O C08278 [1,1,0,0,0,0|1,0,1]=4 34 B11R0.42 CSCCCCCC(=O)C(=O)O C17220 [1,1,0,0,0,0|1,0,1]=4 35 B11R0.42 CSCCCCC[C@H](N)C(=O)O C17221 [1,1,0,0,0,0|1,0,0]=3 36 B11R0.42 NCCCNCCC(N)C(=O)O C18174 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.176 NC(=O)CCCCC(S)CCS C00579 [1,1,0,0,0,0|2,0,0]=4 38 B11R0.176 O=C(O)CCCCC(S)CCS C02147 [1,1,0,0,0,0|1,0,0]=3 39 B11R0.3 CCCCCCCCCCCC C08374 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.3 CCCCCCCCSCCO C18863 [1,1,0,0,0,0|0,0,1]=3 41 B11R0.3 CSCCCCCCC\C=N\O C17251 [1,1,0,0,0,0|1,0,0]=3 42 B13R0.274 [*]SC(=O)CC(=O)CCCCCCC C05753 [0,2,0,0,0,0|0,1,1]=4 43 B13R0.274 [*]SC(=O)C[C@H](O)CCCCCCC C04619 [0,2,0,0,0,0|0,1,0]=3 44 B13R0.201 COC(=O)CCCCCCC(=O)OC C17803 [0,2,0,0,0,0|1,0,1]=4 45 B13R0.54 CCCCCCCCCCCC(=O)O C02679 [0,2,0,0,0,0|0,0,0]=2 46 B13R0.54 CCCCCCCCCCCC(N)=O C13831 [0,2,0,0,0,0|1,0,0]=3 47 B13R0.54 CCCCCCCCC\C=C/C(=O)O C21202 [0,2,0,0,0,0|0,0,0]=2 48 B13R0.54 NCCCCCCCCCCC(=O)O C19325 [0,2,0,0,0,0|0,0,0]=2 49 B13R0.150 CSCCCCCCCC(=O)C(=O)O C17228 [0,2,0,0,0,0|0,0,1]=3 50 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O C17229 [0,2,0,0,0,0|0,0,0]=2 51 B13R0.179 O=C(O)CCCCCCCCC(=O)O C08277 [0,2,0,0,0,0|0,0,1]=3 52 B13R0.2 CCCCCCCCCC(=O)CC=O C16947 [0,2,0,0,0,0|0,0,1]=3 53 B11R1.27 CCCCC[C@H]1CCC(=O)O1 C08501 [1,0,0,1,0,0|0,0,0]=2 54 B11R1.86 CC(=O)CC1CCCCN1C C06184 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.180 CCCCCC1CCN=C1C C21571 [1,0,0,1,0,0|2,0,0]=4 56 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 C08571 [0,1,0,1,0,0|0,0,0]=2 57 B13R1.279 O=C1CCCCCCCCCCO1 C13823 [0,1,0,1,0,0|0,0,0]=2 58 B13R1.589 O=C(O)C[C@@H]1CCCC[C@@H]1C(=O)O C14112 [0,1,0,1,0,0|1,0,1]=4