0 B7R0.4 CCCCCC(C)N D07371 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.4 [*]C(=O)OCCOC D02748 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 NCCCC(=O)O D00058 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.4 O=C([O-])CCCO D05866 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 O=CCCCC=O D01120 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.5 CC(=O)OC(C)C[197Hg]O D04938 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.5 CC(=O)OC(C)C[203Hg]O D04939 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.6 [*]CCOCC(=O)O[*] D05552 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.7 NCCCCCC(=O)O D00160 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.8 CSCCC(N)C(=O)O D04983 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.8 CSCC[C@H](N)C(=O)O D00019 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.8 CSCC[C@H](N)[11C](=O)O D04984 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.8 C[75Se]CC[C@H](N)C(=O)O D05816 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.8 NCCC[C@H](N)C(=O)O D08302 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.8 NCCC[C@H](N)C(=O)O D08303 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.9 C=CC(N)CCC(=O)O D00535 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.9 NCC(=O)CCC(=O)O D02908 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.9 NCC(=O)CCC(=O)O D07567 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(C)CCCC(C)N D05228 [0,1,0,0,0,0|1,0,1]=3 19 B8R1.7 O=C(O)C1CSCN1 D08601 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.7 O=C(O)[C@@H]1CCCN1 D00035 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.22 O=C1CCCCCO1 D05540 [0,0,0,1,0,0|1,0,0]=2 22 B5R0.1 CCCC(=O)[O-] D08998 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.1 CCOC(C)=O D02319 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 NCCC(=O)O D07561 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.2 NCC(O)CC(=O)O D00174 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.6 CC(=O)CCC(=O)[O-] D03298 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.1 CN[C@H](C)CCC=C(C)C D10922 [0,2,0,0,0,0|1,0,1]=4 28 B9R0.24 COC(=O)CCC(=O)CN D04988 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.24 COC(=O)CCC(=O)CN D08204 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.46 [*]CCCCCC(=O)N[*] D05536 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.47 NCCCCC(N)C(=O)O D06469 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.47 NCCCC[C@H](N)C(=O)O D02278 [0,2,0,0,0,0|1,0,0]=3 33 B9R0.47 NCCCC[C@H](N)C(=O)O D02279 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.47 NCCCC[C@H](N)C(=O)O D02304 [0,2,0,0,0,0|1,0,0]=3 35 B9R0.2 CCCCCCCC(=O)O D05220 [0,2,0,0,0,0|1,0,0]=3 36 B9R0.2 CCCCCCCC(=O)[O-] D08999 [0,2,0,0,0,0|1,0,0]=3 37 B9R0.2 CCCCCNCC(N)=O D05033 [0,2,0,0,0,0|1,0,0]=3 38 B9R0.55 O=C(O)CCCCC(=O)O D02145 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.55 O=C(O)CCCCC(=O)O D08839 [0,2,0,0,0,0|1,0,1]=4 40 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O D00177 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.56 CC(=O)OCC[N+](C)(C)C D00999 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.56 CC(N)CCCC(C)(C)O D07158 [0,2,0,0,0,0|0,0,2]=4 43 B9R0.56 CC(N)CCCC(C)(C)O D08038 [0,2,0,0,0,0|0,0,2]=4 44 B7R1.2 CC1COC(=O)O1 D05633 [1,0,0,1,0,0|2,0,0]=4