0 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,0]=3 1 B4R0.1 CC(O)CO DB01839 [1,0,0,0,0,0|1,0,2]=4 2 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,0]=2 3 B4R0.1 NC(=O)NO DB01005 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 NCC(=O)[O-] DB11189 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 NCC(=O)[O-] DB11200 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 NCC(=O)[O-] DB11210 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CNC(=S)NCO DB13838 [0,1,0,0,0,0|2,1,0]=4 10 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.4 NCCCC(=O)O DB02530 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.4 O=C([O-])CCCO DB01440 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.4 O=C([O-])CCCO DB09072 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.5 C[N+](C)(C)CCO DB00122 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.5 C[N+](C)([11CH3])CCO DB09277 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.5 C[N+](C)([11CH3])CCO DB09563 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.5 NCCS(=O)(=O)O DB01956 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.5 O=S(=O)(O)CCS DB09110 [0,1,0,0,0,0|3,0,0]=4 22 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 23 B3R0.1 NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4 24 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|1,0,0]=3 25 B3R0.2 CC(=O)[O-] DB00258 [2,0,0,0,0,0|1,0,0]=3 26 B3R0.2 CC(=O)[O-] DB09395 [2,0,0,0,0,0|1,0,0]=3 27 B3R0.2 CC(=O)[O-] DB09409 [2,0,0,0,0,0|1,0,0]=3 28 B3R0.2 CC(=O)[O-] DB13996 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|0,0,2]=4 30 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.2 NC(N)=O DB03904 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 N[14C](N)=O DB09513 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.2 O=C([O-])O DB01390 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.2 O=C([O-])O DB11098 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.2 O=C([O-])[O-] DB06724 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.2 O=C([O-])[O-] DB06792 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.2 O=C([O-])[O-] DB09460 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.2 O=C([O-])[O-] DB09481 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 O=C([O-])[O-] DB13977 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.5 CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.5 CC(O)C(=O)O DB04398 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.5 CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.5 CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 O=C(O)C(Cl)Cl DB08809 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB06756 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|0,0,1]=3 51 B7R0.6 O=C(O)CCC(=O)O DB00139 [0,2,0,0,0,0|1,0,1]=4 52 B5R1.2 O=C1CCO1 DB09348 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.4 N[C@@H]1CONC1=O DB00260 [0,1,0,1,0,0|2,0,0]=4