0 B10R0.4 CCCCCCCCC(=O)O M19549 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.4 NCCCCCCCC(=O)O M21406 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CC(=O)NCCCCCN M19992 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.2 CCCCCCCC(=O)O M19558 [1,0,0,0,0,0|0,0,0]=1 4 B9R0.2 CCCCCNCC(N)=O M28420 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.2 CCCCC\C=C\C(=O)O M20010 [1,0,0,0,0,0|0,0,2]=3 6 B11R0.30 CC(=O)NCCCCCC(=O)O M15077 [0,1,0,0,0,0|1,0,1]=3 7 B11R0.30 O=C(O)CCCCCCC(=O)O M19610 [0,1,0,0,0,0|1,0,1]=3 8 B11R0.148 CCCCCCCCCC(=O)O M18432 [0,1,0,0,0,0|0,0,0]=1 9 B11R0.148 CCCCCCCCCC(=O)[O-] M27380 [0,1,0,0,0,0|0,0,1]=2 10 B11R0.148 CCCCCCCCCC(C)=O M21330 [0,1,0,0,0,0|1,0,0]=2 11 B11R0.148 CCCCCCCCCC(C)O M27522 [0,1,0,0,0,0|1,0,1]=3 12 B11R0.148 CCCCCCCCOC(C)=O M20318 [0,1,0,0,0,0|1,0,0]=2 13 B11R0.148 CCCCCCC\C=C/C(=O)O M29617 [0,1,0,0,0,0|0,0,1]=2 14 B11R0.148 CCCCCCC\C=C\C(=O)O M20740 [0,1,0,0,0,0|0,0,1]=2 15 B11R0.176 O=C(O)CCCCC(S)CCS M27379 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.27 CCCCCC1CCC(=O)O1 M23254 [0,0,0,1,0,0|0,0,0]=1 17 B11R1.91 N=C(N)NCC1CCCCC1 M28423 [0,0,0,1,0,0|3,0,0]=4 18 B8R0.4 NCCCCCCCN M21554 [2,0,0,0,0,0|2,0,0]=4 19 B8R0.7 CCCCCCC(=O)O M19552 [2,0,0,0,0,0|0,0,0]=2 20 B8R0.7 NCCCCCC(=O)O M15254 [2,0,0,0,0,0|1,0,0]=3 21 B10R0.6 CCCCCC(O)CC(=O)O M28858 [1,1,0,0,0,0|0,0,0]=2 22 B10R0.74 CCCCCCCC(=O)OC M29391 [1,1,0,0,0,0|0,0,0]=2 23 B10R0.75 CCCCCCC(N)C(=O)O M28713 [1,1,0,0,0,0|0,0,0]=2 24 B10R0.75 CCCCCCC(O)C(=O)O M20871 [1,1,0,0,0,0|0,0,0]=2 25 B10R0.75 N[C@@H](CSCCCO)C(=O)O M11291 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.78 CCCCC(C)CCC(=O)O M21362 [1,1,0,0,0,0|0,0,0]=2 27 B10R0.97 O=C(O)CCCCCC(=O)O M19546 [1,1,0,0,0,0|1,0,1]=4 28 B10R0.71 CCCCCCCCCC=O M21351 [1,1,0,0,0,0|0,0,0]=2 29 B10R0.91 CCCCCC(O)\C=C\C=O M22673 [1,1,0,0,0,0|0,0,2]=4 30 B12R0.4 CCCCCCCC(O)CC(=O)O M20794 [0,2,0,0,0,0|0,0,0]=2 31 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O M21405 [0,2,0,0,0,0|1,0,1]=4 32 B12R0.251 CCCCCCCC[C@H](O)C(=O)O M27943 [0,2,0,0,0,0|0,0,0]=2 33 B12R0.277 CCOC(=O)CCCCCC(=O)O M26986 [0,2,0,0,0,0|0,0,1]=3 34 B12R0.234 C=CCCCCCCCCC(=O)O M10437 [0,2,0,0,0,0|0,0,0]=2 35 B12R0.234 C=CCCCCCCCCC(=O)O M15023 [0,2,0,0,0,0|0,0,0]=2 36 B12R0.234 CC(=O)NCCCCNCCCN M27096 [0,2,0,0,0,0|2,0,0]=4 37 B12R0.234 CCCCCCCCCCC(=O)O M20011 [0,2,0,0,0,0|0,0,0]=2 38 B12R0.234 CCCCCCCC\C=C\C(=O)O M27109 [0,2,0,0,0,0|0,0,0]=2 39 B12R0.234 O=C(O)CCCCCCCCCO M18111 [0,2,0,0,0,0|0,0,0]=2 40 B12R0.234 O=C(O)\C=C\CCCCCCCO M18005 [0,2,0,0,0,0|0,0,1]=3 41 B12R0.268 O=C(O)CCCCCCCC(=O)O M10969 [0,2,0,0,0,0|0,0,1]=3 42 B10R1.61 O=C(O)C1CCCCN1O M23336 [1,0,0,1,0,0|2,0,0]=4 43 B12R1.7 CCCCCCC1CCC(=O)O1 M21350 [0,1,0,1,0,0|0,0,0]=2 44 B12R1.28 CCCCCC1CCCC(=O)O1 M28334 [0,1,0,1,0,0|0,0,0]=2 45 B12R1.255 NC(=O)CCCCC1CCSS1 M14045 [0,1,0,1,0,0|2,0,0]=4 46 B12R1.255 O=C(O)CCCCC1CCSS1 M10312 [0,1,0,1,0,0|1,0,0]=3 47 B12R1.255 O=C(O)CCCCC1CCSS1 M18917 [0,1,0,1,0,0|1,0,0]=3 48 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 M10720 [0,1,0,1,0,0|1,0,0]=3