0 B6R0.4 NCCCC(=O)O D00058 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 O=C([O-])CCCO D05866 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CC(O)CCO D10695 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 CCCC(=O)[O-] D08998 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 CCOC(C)=O D02319 [1,0,0,0,0,0|0,1,0]=2 5 B5R0.1 CN(C)CCO D07777 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CN(C)CCS D03376 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 NCCC(=O)O D07561 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 NCC(O)CC(=O)O D00174 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.4 CCCCCC(C)N D07371 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.4 [*]C(=O)OCCOC D02748 [0,1,0,0,0,0|1,1,0]=3 11 B7R0.6 CC(=O)CCC(=O)[O-] D03298 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.2 CC1COC(=O)O1 D05633 [0,0,0,1,0,0|1,1,0]=3 13 B4R0.1 CC(=O)NO D00220 [2,0,0,0,0,0|2,0,0]=4 14 B4R0.1 CC(=O)OO D03467 [2,0,0,0,0,0|1,1,0]=4 15 B4R0.1 CCC(=O)O D02310 [2,0,0,0,0,0|1,0,0]=3 16 B4R0.1 CCC(=O)[O-] D05872 [2,0,0,0,0,0|1,0,0]=3 17 B4R0.1 CCC(=O)[O-] D08440 [2,0,0,0,0,0|1,0,0]=3 18 B4R0.1 NCC(=O)O D00011 [2,0,0,0,0,0|2,0,0]=4 19 B4R0.1 NCC(=O)[O-] D08016 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.1 O=C(O)CCl D07677 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.2 CCCCO D03200 [2,0,0,0,0,0|0,0,2]=4 22 B4R0.2 CCOCC D01772 [2,0,0,0,0,0|0,1,1]=4 23 B4R0.2 COCCO D05554 [2,0,0,0,0,0|1,1,0]=4 24 B6R0.2 CC(=O)CC(C)C D04989 [1,1,0,0,0,0|0,0,0]=2 25 B6R0.2 CC(C)CC(N)=O D04637 [1,1,0,0,0,0|1,0,0]=3 26 B6R0.3 N[C@@H](CO)C(=O)O D00016 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.3 N[C@@H](CS)C(=O)O D00026 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.3 N[C@@H](CS)C(=O)O D02326 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.6 O=CCCCC=O D01120 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O D00065 [0,2,0,0,0,0|2,0,0]=4 31 B8R0.5 CC(=O)OC(C)C[197Hg]O D04938 [0,2,0,0,0,0|1,1,0]=4 32 B8R0.5 CC(=O)OC(C)C[203Hg]O D04939 [0,2,0,0,0,0|1,1,0]=4 33 B8R0.23 CC(C)C[C@H](N)C(=O)O D00030 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.8 CSCCC(N)C(=O)O D04983 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.8 CSCC[C@H](N)C(=O)O D00019 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.8 CSCC[C@H](N)[11C](=O)O D04984 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.8 C[75Se]CC[C@H](N)C(=O)O D05816 [0,2,0,0,0,0|2,0,0]=4 38 B8R0.8 NCCC[C@H](N)C(=O)O D08302 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.8 NCCC[C@H](N)C(=O)O D08303 [0,2,0,0,0,0|2,0,0]=4 40 B8R0.7 NCCCCCC(=O)O D00160 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.22 O=C1CCCCCO1 D05540 [0,1,0,1,0,0|0,1,0]=3 42 B8R1.7 O=C(O)[C@@H]1CCCN1 D00035 [0,1,0,1,0,0|2,0,0]=4