0 B7R0.5 CCOC(=O)C(C)=O T8030 [1,0,0,0,0,0|1,0,1]=3 1 B7R0.10 CCC(O)C(=O)CC T20376 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,1,0,0,0,0|1,0,1]=3 4 B9R0.23 CC(C)OC(=O)[C@@H](N)CS T31157 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,0,0,1,0,0|1,0,2]=4 7 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|1,0,0]=3 8 B6R0.6 CC/C=C\CCO T22295 [2,0,0,0,0,0|2,0,0]=4 9 B6R0.6 CCC/C=C/CO TN5162 [2,0,0,0,0,0|2,0,0]=4 10 B6R0.3 C/C=C(/C)C(O)=O T3328 [2,0,0,0,0,0|0,0,2]=4 11 B6R0.3 C/C=C(\C)C(O)=O T5542 [2,0,0,0,0,0|0,0,2]=4 12 B6R0.3 CC(CN)C(O)=O T4887 [2,0,0,0,0,0|1,0,0]=3 13 B6R0.3 CC(CO)C(O)=O T19619 [2,0,0,0,0,0|1,0,0]=3 14 B6R0.3 CC(CO)C([O-])=O T29401 [2,0,0,0,0,0|1,0,1]=4 15 B6R0.3 CCC(=O)C(O)=O T5060 [2,0,0,0,0,0|1,0,1]=4 16 B6R0.3 CCC(N)C(O)=O TN6936 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.3 CCC(O)C([O-])=O T4738 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.3 CC[C@@H](N)C(O)=O T19302 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.3 CC[C@H](N)C(O)=O T5306 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.3 C[C@@H](CN)C(O)=O T7357 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.3 C[C@@H](CN)C(O)=O T7401 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.3 NC(CO)C(O)=O T8363 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.3 NC(CS)C(=O)O T8141 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.3 NCC(N)C(O)=O T4755 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 NC[C@H](N)C(O)=O T5978 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.3 NC[C@H](N)C(O)=O T7335 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.3 N[C@@H](CS)C(O)=O T1547L [2,0,0,0,0,0|2,0,0]=4 31 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 N[C@H](CO)C(O)=O T8394 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.3 N[C@H](CS)C(O)=O T10933 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.3 O=C(O)[C@H](C)CO T19617 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 OCC(O)C(O)=O T19289 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.5 CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|0,0,1]=3 40 B8R0.5 CCOC(=O)CC(C)O T19314 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.5 CCOC(=O)CC(O)=O T4773 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.5 CCOC(=O)CC([O-])=O T22328 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.30 CCCS(=O)(=O)CCC T31522 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.30 CCOP(O)(=O)OCC T7192 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC T31710 [0,1,0,0,0,1|0,0,0]=2 46 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711 [0,2,0,0,0,0|1,0,0]=3 47 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711L [0,2,0,0,0,0|1,0,0]=3 48 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|0,0,2]=4 49 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.149 CCC(C)N1CCCC1=O T3114 [0,0,0,1,0,1|1,0,0]=3 51 B10R1.34 O=C1[C@H](O)[C@H](O)[C@@H](CO)O1 T10941 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O T7933 [0,1,0,1,0,0|1,0,1]=4