0 B8R0.28 CC(=O)CCC=C(C)C M29386 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)NCCC(=O)O M13947 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(C)CCCC(C)N M14951 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(C)CCCC(C)N M27569 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCCCCC(=O)O M19562 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCCCCC(C)N M10956 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CCCCCC(C)O M28052 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 NCCCCC(=O)O M19658 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.7 CC(=O)OC[C@H](N)C(=O)O M19656 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 CC(=O)OC[C@H](N)C(=O)O M21376 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.7 C[S+](C)CCC(N)C(=O)O M21253 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.56 CC(=O)OCC[N+](C)(C)C M15250 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.56 CC(=O)OCC[N+](C)(C)C M18267 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.56 CC(=O)OCC[N+](C)(C)C M27252 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.56 CC(N)CCCC(C)(C)O M14947 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.56 C[N+](C)(C)CCCC(=O)O M19648 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.56 C[N+](C)(C)CCOC(N)=O M14811 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.66 CC1(O)CCOC(=O)C1 M15570 [0,0,0,1,0,0|1,0,0]=2 18 B7R0.6 CC(=O)CCC(=O)O M20243 [0,0,0,0,1,0|2,0,1]=4 19 B7R0.6 CC(C)CCC(=O)O M27056 [0,0,0,0,1,0|1,0,0]=2 20 B6R0.4 CCCCC(=O)O M19748 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.4 CCCCC(C)=O M20883 [2,0,0,0,0,0|0,0,0]=2 22 B6R0.4 CCOCC(=O)O M28131 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CSCCC(=O)O M20021 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 NCCCC(=O)O M15043 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.6 CCC\C=C\C=O M21392 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.7 CC(=O)NCCCCN M20805 [1,1,0,0,0,0|1,0,0]=3 27 B8R0.7 CCCCCCC(=O)O M19552 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.7 NCCCCCC(=O)O M15254 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.8 CCCCC(C)C(=O)O M21371 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.8 CCCCC(O)C(=O)O M20063 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.8 CCCC[C@H](N)C(=O)O M19595 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.23 CC(C)C(N)CC(=O)O M20275 [0,1,0,0,1,0|1,0,0]=3 33 B8R0.23 CC(C)CC(=O)C(=O)O M19851 [0,1,0,0,1,0|1,0,1]=4 34 B8R0.23 CC(C)CC(N)C(=O)O M18908 [0,1,0,0,1,0|1,0,0]=3 35 B8R0.23 CC(C)CC(N)C(=O)O M19596 [0,1,0,0,1,0|1,0,0]=3 36 B8R0.23 CC(C)C[C@@H](N)C(=O)O M24264 [0,1,0,0,1,0|1,0,0]=3 37 B8R0.23 CC(C)C[C@H](O)C(=O)O M19996 [0,1,0,0,1,0|1,0,0]=3 38 B10R0.3 CC(C)=CCCC(C)CC=O M21327 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.3 CC(C)=CCCC(C)CCO M17791 [0,2,0,0,0,0|2,0,0]=4 40 B10R0.3 CC(C)=CCC[C@@H](C)CCO M21414 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.3 CC(C)=CCC[C@H](C)CC=O M21298 [0,2,0,0,0,0|2,0,0]=4 42 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C M15366 [0,2,0,0,0,0|1,0,0]=3 43 B10R0.31 CC(C[N+](C)(C)C)OC(N)=O M15188 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O M23638 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.70 CC(C)C[C@H](CN)CC(=O)O M12048 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.1 CCC1CCC(=O)O1 M21388 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.4 CC1CCNC(=N)C1 M27452 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.22 O=C1CCCCCN1 M27265 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 M21502 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.329 CC1=CC(=O)CC(C)(C)C1 M20356 [0,1,0,1,0,0|1,0,1]=4 51 B6R0.2 CC(=O)CC(C)C M20232 [0,0,0,0,2,0|0,0,0]=2 52 B6R0.2 CC(C)CC(=O)O M20269 [0,0,0,0,2,0|1,0,0]=3 53 B6R0.2 CC(C)CC(N)=O M14938 [0,0,0,0,2,0|1,0,0]=3 54 B6R0.2 CC(N)CC(=O)O M24529 [0,0,0,0,2,0|2,0,0]=4 55 B6R0.2 CC(O)CC(=O)O M19752 [0,0,0,0,2,0|2,0,0]=4 56 B6R0.2 CN(C)CC(=O)O M17822 [0,0,0,0,2,0|2,0,0]=4 57 B6R0.2 C[C@@H](O)CC(=O)O M20064 [0,0,0,0,2,0|2,0,0]=4 58 B6R0.2 C[C@H](O)CC(=O)O M26587 [0,0,0,0,2,0|2,0,0]=4