0 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,0,0,0,0,0|0,1,0]=1 2 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,0,0,0,0,0|0,1,0]=1 4 B5R0.3 OCC(O)CO DB09462 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.3 OCC(S)CS DB06782 [1,0,0,0,0,0|1,1,1]=4 6 B5R0.5 CC(=O)C(=O)O DB00119 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.5 CC(O)C(=O)O DB04398 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.5 CC(O)C(=O)[O-] DB06768 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.5 CC(O)C(=O)[O-] DB13231 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.5 C[C@H](N)C(=O)O DB00160 [1,0,0,0,0,0|0,0,0]=1 11 B5R0.5 O=C(O)C(Cl)Cl DB08809 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,1,0,0,0,0|0,0,0]=1 14 B7R1.4 N[C@@H]1CONC1=O DB00260 [0,0,0,1,0,0|1,0,0]=2 15 B4R0.1 CC(=O)NO DB00551 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.1 CC(O)CO DB01839 [2,0,0,0,0,0|1,0,0]=3 17 B4R0.1 CCC(=O)O DB03766 [2,0,0,0,0,0|0,0,0]=2 18 B4R0.1 NC(=O)NO DB01005 [2,0,0,0,0,0|1,0,1]=4 19 B4R0.1 NCC(=O)O DB00145 [2,0,0,0,0,0|0,0,0]=2 20 B4R0.1 NCC(=O)[O-] DB11189 [2,0,0,0,0,0|0,0,1]=3 21 B4R0.1 NCC(=O)[O-] DB11200 [2,0,0,0,0,0|0,0,1]=3 22 B4R0.1 NCC(=O)[O-] DB11210 [2,0,0,0,0,0|0,0,1]=3 23 B4R0.1 O=C(O)CO DB03085 [2,0,0,0,0,0|0,0,0]=2 24 B6R0.4 NCCCC(=O)O DB02530 [1,1,0,0,0,0|1,0,0]=3 25 B6R0.4 O=C([O-])CCCO DB01440 [1,1,0,0,0,0|0,0,1]=3 26 B6R0.4 O=C([O-])CCCO DB09072 [1,1,0,0,0,0|0,0,1]=3 27 B6R0.5 NCCS(=O)(=O)O DB01956 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.5 O=S(=O)(O)CCS DB09110 [1,1,0,0,0,0|1,1,0]=4 29 B6R0.7 O=C(O)P(=O)(O)O DB00529 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O DB00167 [0,1,0,0,0,1|2,0,0]=4 31 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO DB11168 [0,1,0,0,0,1|1,0,1]=4 32 B8R0.23 NC(=O)C[C@H](N)C(=O)O DB00174 [0,1,0,0,0,1|1,0,1]=4 33 B8R0.23 N[C@@H](CC(=O)O)C(=O)O DB00128 [0,1,0,0,0,1|0,0,1]=3 34 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,2,0,0,0,0|0,1,0]=3 35 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,2,0,0,0,0|0,1,0]=3 36 B8R0.8 CSCC[C@H](N)C(=O)O DB00134 [0,2,0,0,0,0|0,1,0]=3 37 B8R0.8 C[Se]CC[C@H](N)C(=O)O DB11142 [0,2,0,0,0,0|0,1,0]=3 38 B8R0.8 NCCC[C@H](N)C(=O)O DB00129 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S DB00859 [0,2,0,0,0,0|0,1,0]=3 40 B8R1.7 O=C(O)[C@@H]1CCCN1 DB00172 [0,1,0,1,0,0|1,0,0]=3 41 B8R0.9 C=CC(N)CCC(=O)O DB01080 [0,0,0,0,0,2|1,0,1]=4