0 B8R0.6 C=CC(=O)OCCCC C10921 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 C=CC(O)CCCCC C14272 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 CCCCCC(=O)CC C17145 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 CCCCCC(=O)NC C02722 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.6 CCCCCC(O)CC C17144 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 CSCCC\C(S)=N\O C17243 [0,0,0,0,0,0|3,1,0]=4 6 B8R0.6 [*]SC(=O)CCCCC C05749 [0,0,0,0,0,0|1,1,0]=2 7 B8R0.6 [*]SC(=O)\C=C\CCC C05748 [0,0,0,0,0,0|1,1,2]=4 8 B7R0.1 CCCCCCC=O C14390 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CCCCCCCC C01387 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.1 CSCCC\C=N\O C17241 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.1 CSCCC\C=N\O C21535 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.3 [*]SC(=O)CCCN C18007 [1,0,0,0,0,0|2,1,0]=4 13 B7R0.4 CC(=O)NCCC=O C18170 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCCCC(=O)O C01585 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.4 CCCCCC(C)=O C08380 [1,0,0,0,0,0|0,0,0]=1 16 B7R0.4 CCCCOC(C)=O C12304 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 CNCCCC(=O)O C15987 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.4 NCCCCC(=O)O C00431 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.4 NCCCCC(N)=O C00990 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 O=C(O)CCCCO C02804 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 O=CCCCC(=O)O C03273 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 [*]CCCCC(=O)[O-] C03129 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.34 [*]SC(=O)CC(=O)CCC C05746 [0,1,0,0,0,0|1,1,1]=4 24 B9R0.34 [*]SC(=O)C[C@H](O)CCC C05747 [0,1,0,0,0,0|1,1,0]=3 25 B9R0.46 [*]CCCCCC(=O)N[*] C19492 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.47 CSCCCC(=O)C(=O)O C17211 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.47 NCCCCC(=O)C(=O)O C03239 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.5 CC1CCCCOC1=O C10976 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.5 N[C@@H]1CCCCNC1=O C05328 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.5 N[C@H]1CCCCNC1=O C02837 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.5 O=C1OCCCCC1O C12314 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.11 [*]SC(=O)[C@@H]1CCCN1 C12470 [0,0,0,1,0,0|2,1,0]=4 33 B6R0.6 CCCCCCN C08306 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 CCCCOC=O C21713 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.6 CCC\C=C\C=O C08497 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.6 CC\C=C/CC=O C16310 [2,0,0,0,0,0|0,0,2]=4 37 B6R0.6 CNCCCC=O C10974 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.6 CNCCCCN C02723 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.6 NCCCCC=O C12455 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.6 O=CCCCC=O C12518 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.1 COCC(=O)OC C14601 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.1 [*]SC(=O)CCC C05745 [2,0,0,0,0,0|1,1,0]=4 43 B6R0.4 CC(=O)SCCN C03537 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CCCCC(=O)O C00803 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.4 CCCCC(N)=O C01842 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 CCCOC(N)=O C19514 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 CCNCC(=O)O C11735 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 CSCCC(=O)O C08276 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 NCCCC(=O)O C00334 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 O=C(O)CCCO C00989 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.4 O=C(O)CCCO C01991 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.4 O=C(O)CCCS C21736 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.4 O=CCCC(=O)O C00232 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.4 [*]CCNC(C)=O C15535 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.4 CCCCCCCCN C01740 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.4 CCCCCCCCO C00756 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.4 CCCCC\C=C\C=O C21138 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.4 CSCCCC\C=N\O C17245 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.8 CCCCC(=O)C(=O)O C00902 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.5 CCCC(=O)CC(=O)O C02122 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.5 CCOC(=O)CC(C)=O C03500 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.28 CC(=O)CCC=C(C)C C07287 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.28 CC(=O)CCCC(=O)O C02129 [1,1,0,0,0,0|0,0,1]=3 64 B8R0.28 CC(=O)NCCC(=O)O C01073 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.28 CC(=O)OCCC(C)C C12296 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.28 CC(C)=CCCC(C)O C07288 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.28 O=C(O)CCCC(=O)O C00489 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O C05016 [0,2,0,0,0,0|1,0,1]=4 69 B10R0.59 [*]SC(=O)CCCC(=O)OC C20375 [0,2,0,0,0,0|1,0,1]=4 70 B10R0.2 CCCC(=O)CC(=O)CCC C02445 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.2 CCCC(=O)CC(=O)OCC C02975 [0,2,0,0,0,0|0,0,1]=3 72 B10R0.2 CCC[C@@H](O)CC(=O)OCC C03864 [0,2,0,0,0,0|0,0,0]=2 73 B10R0.2 CCC[C@H](O)CC(=O)OCC C03865 [0,2,0,0,0,0|0,0,0]=2 74 B10R0.74 [*]NC(=O)CCCCCCC C16236 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.74 [*]SC(=O)CCCCCCC C05752 [0,2,0,0,0,0|1,1,0]=4 76 B10R0.74 [*]SC(=O)\C=C\CCCCC C05751 [0,2,0,0,0,0|1,1,0]=4 77 B10R0.75 CSCCCCC(=O)C(=O)O C17216 [0,2,0,0,0,0|2,0,0]=4 78 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [1,0,0,1,0,0|0,0,2]=4 79 B8R1.4 O=C1CCCC(=O)C1 C01066 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.4 O=C1CCCC(O)C1 C03228 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 O=C(O)C1=NCCC1 C03564 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.7 O=C(O)C1CCC=N1 C04322 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.7 O=C(O)C1CCCN1 C16435 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.7 O=C(O)C1CCCS1 C11074 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.7 O=C(O)C1CSSC1 C01892 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.72 C[N+]1(C)CCCCC1 C18475 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.15 COC(=O)C1=CCCNC1 C16821 [0,1,0,1,0,0|0,0,2]=4