0 B7R0.16 CC(C(O)=O)C(O)=O T4817 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C)C(=O)C(O)=O T5232 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)C(O)C(O)=O T5273 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.16 NC(C(C)C)C(O)=O T9294 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.16 NC(C(O)=O)C(O)=O T5244 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.2 CC(=O)CC([O-])=O T13528 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.2 CC(=O)CC([O-])=O T4854 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.2 CC(C)=CC(O)=O T5305 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.2 CC(C)CC(N)=O T0361 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.2 CC(C)CC(O)=O T5609 [1,0,0,0,0,0|0,0,0]=1 17 B6R0.2 CC(C)OC([S-])=S T20111 [1,0,0,0,0,0|1,2,0]=4 18 B6R0.2 CC(C)SC(N)=N T23300 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.2 CC(CC(O)=O)N TN6756 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.2 CC(O)CC(O)=O T4947 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 CN(C)CC(O)=O T4120 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.2 C[C@@H](O)CC(O)=O T5248 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.2 C[C@H](O)CC(O)=O T13979 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.2 OC(=O)CC(O)=O T5291 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 C/C=C(/C)C(O)=O T3328 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.3 C/C=C(\C)C(O)=O T5542 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.3 CC(CN)C(O)=O T4887 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CC(CO)C(O)=O T19619 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 CC(CO)C([O-])=O T29401 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.3 CCC(N)C(O)=O TN6936 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.3 CCC(O)C([O-])=O T4738 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,0,0,0,0,0|0,0,0]=1 34 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,0,0,0,0,0|0,0,0]=1 35 B6R0.3 C[C@@H](CN)C(O)=O T7357 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 C[C@@H](CN)C(O)=O T7401 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.3 NC(CO)C(O)=O T8363 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.3 NC(CS)C(=O)O T8141 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 NCC(N)C(O)=O T4755 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 NC[C@H](N)C(O)=O T5978 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 NC[C@H](N)C(O)=O T7335 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.3 N[C@@H](CS)C(O)=O T1547L [1,0,0,0,0,0|1,0,0]=2 46 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 N[C@H](CO)C(O)=O T8394 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.3 N[C@H](CS)C(O)=O T10933 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.3 O=C(O)[C@H](C)CO T19617 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.3 OC(=O)C(=O)CBr T5882 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 OCC(=O)C(O)=O T19365 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 OCC(O)C(O)=O T19289 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.2 OCC(O)C(O)C([O-])=O T5216 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.27 CC(C)(O)C(O)C(O)=O T50050 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.27 CC(C)(S)C(N)C(O)=O T0983L [0,1,0,0,0,0|0,0,0]=1 63 B8R0.27 CC(C)(S)[C@@H](N)C(O)=O T0983 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.27 CC(C)(S)[C@H](N)C(O)=O T20118 [0,1,0,0,0,0|0,0,0]=1 65 B8R0.27 C[C@@H](C([O-])=O)[N+](C)(C)C T34947 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 CC(C)C(N)CC(O)=O T5569 [0,0,0,0,0,1|0,0,0]=1 67 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [0,0,0,0,0,1|1,0,1]=3 68 B8R0.23 CC(C)CC(N)C(O)=O T4772 [0,0,0,0,0,1|0,0,0]=1 69 B8R0.23 CC(C)C[C@@H](O)C(O)=O T19539 [0,0,0,0,0,1|1,0,0]=2 70 B8R0.23 CC(C)C[C@H](C(O)=O)N T9299 [0,0,0,0,0,1|0,0,0]=1 71 B8R0.23 CC(C)C[C@H](N)C(O)=O T3O2749 [0,0,0,0,0,1|0,0,0]=1 72 B8R0.23 CC(C)C[C@H](N)[13C](O)=O T32811 [0,0,0,0,0,1|0,0,0]=1 73 B8R0.23 CC(C)C[C@H](O)C(O)=O T5294 [0,0,0,0,0,1|1,0,0]=2 74 B8R0.23 CN(C)CC(N)C(O)=O T25128 [0,0,0,0,0,1|1,0,0]=2 75 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,0,0,0,0,1|2,0,0]=3 76 B8R0.23 C[C@H](NC(C)=O)C(O)=O T4839 [0,0,0,0,0,1|2,0,1]=4 77 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,0,0,0,0,1|2,0,1]=4 78 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O T30135 [0,0,0,0,0,1|2,0,0]=3 79 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,0,0,0,0,1|2,0,1]=4 80 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,0,0,0,0,1|2,0,1]=4 81 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T19399 [0,0,0,0,0,1|2,0,1]=4 82 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T2O2731 [0,0,0,0,0,1|2,0,1]=4 83 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O T19554 [0,0,0,0,0,1|2,0,1]=4 84 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T11803 [0,0,0,0,0,1|3,0,0]=4 85 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T41301 [0,0,0,0,0,1|3,0,0]=4 86 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,0,0,0,0,1|2,0,1]=4 87 B8R0.23 N[C@H](CC(O)=O)C(O)=O T4885 [0,0,0,0,0,1|2,0,1]=4 88 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|0,0,2]=4 89 B5R0.1 CC(C)C=NO T4930 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|0,0,1]=3 91 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 CN(C)CC=O T19099 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.1 CN(C)CC=O T19100 [2,0,0,0,0,0|1,0,0]=3 94 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.1 C[C@@H](CCO)O T9257 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.1 C[C@@H](O)CCO T19538 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 NCCP(O)=O TN2749 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 NCCS(O)=O T5225 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 NOCC(O)=O T29033 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 NOCC(O)=O T5880 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.3 CCC(O)C=C TN6958 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.3 OCC(O)C=O T4918 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.5 CC(=O)C(O)=O T4804 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.5 CC(O)C(C)O T19094 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.5 CC(O)C(O)=O TN6945 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.5 CC(O)C([O-])=O T20574 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.5 CC(O)C([O-])=O T32809 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.5 CC(O)C([O-])=O T5220 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.5 C[C@@H](N)C(O)=O T4811 [2,0,0,0,0,0|0,0,0]=2 112 B5R0.5 C[C@@H](O)C(O)=O T10943 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.5 C[C@H](N)C(O)=O TJO2729 [2,0,0,0,0,0|0,0,0]=2 115 B5R0.5 C[C@H](N)C(O)=O TN1003 [2,0,0,0,0,0|0,0,0]=2 116 B5R0.5 C[C@H](O)C(O)=O T4845 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.5 C[C@H](O)C([O-])=O T4103 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.5 O=C(O)[C@H](C)N T34103 [2,0,0,0,0,0|0,0,0]=2 119 B5R0.5 OC(=O)C(Cl)Br T9288 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.2 CC(C)C[C@H](N)C=O T25675 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.2 CCC(C)CC(O)=O T19122 [1,1,0,0,0,0|0,0,0]=2 123 B7R0.2 CCC(O)CC(O)=O T19121 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.2 NCC(O)CC(O)=O T0028 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.2 NC[C@@H](F)CP(O)=O T15737 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.2 NC[C@@H](O)CC(O)=O T21409 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.2 OC[C@@H](O)CC(O)=O T13978 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.9 CC(=O)CC(C)(C)N TMA2536 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.9 CC(C)(O)CC(O)=O T0613 [1,1,0,0,0,0|0,0,0]=2 131 B7R0.9 CC(O)CC(C)(C)O T0763 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.9 C[N+](C)(C)CC(O)=O T0019 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.9 C[N+](C)(C)CC([O-])=O T3243 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.5 C#CCC(C(=O)O)N T20129 [1,1,0,0,0,0|0,0,1]=3 135 B7R0.5 CC(CC=C)C(O)=O T8058 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.5 CCCC(=O)C(O)=O T13484 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.5 CCCC(C)C(O)=O T5685 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.5 CCCC(N)C(O)=O T11054 [1,1,0,0,0,0|0,0,0]=2 140 B7R0.5 CCC[C@H](N)C(O)=O T4788 [1,1,0,0,0,0|0,0,0]=2 141 B7R0.5 CNCC(N)C([O-])=O T33346 [1,1,0,0,0,0|0,0,1]=3 142 B7R0.5 CSC[C@H](N)C(O)=O T8072 [1,1,0,0,0,0|0,0,0]=2 143 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [1,1,0,0,0,0|0,0,0]=2 144 B7R0.5 NC(CC=C)C(O)=O T25052 [1,1,0,0,0,0|0,0,1]=3 145 B7R0.5 NC(CCS)C(O)=O T4863 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.5 NCC[C@H](N)C(O)=O T7595 [1,1,0,0,0,0|0,0,0]=2 147 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [1,1,0,0,0,0|0,0,1]=3 148 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [1,1,0,0,0,0|0,0,0]=2 150 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [1,1,0,0,0,0|0,0,0]=2 151 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.10 NNC(=O)[C@@H](N)CS T31156 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.10 OC[C@@H](O)[C@@H](O)C=O T19828 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.10 OC[C@H](O)[C@H](O)C=O T20229 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.13 CCC(C)(O)C(O)=O T5550 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.13 CC[C@@](C)(N)C(O)=O T20589 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.13 OC(=O)C(Cl)(Cl)CCl T30898 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.13 [2H][C@@](N)(CF)C(O)=O T31813 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.15 CCC(CC)C(O)=O T8027 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.23 COC(=O)C(O)CC(C)C T9509 [0,1,0,0,0,1|1,0,0]=3 164 B9R0.57 CC(C)(C)C[C@H](N)C(O)=O T31907 [0,1,0,0,0,1|0,0,0]=2 165 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O T7448 [0,1,0,0,0,1|1,0,0]=3 166 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O TN6405 [0,1,0,0,0,1|1,0,0]=3 167 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(O)=O T2P2919 [0,1,0,0,0,1|1,0,0]=3 168 B9R0.27 OCC([C@H]([C@@H](CO)O)O)=O T35211 [0,2,0,0,0,0|2,0,0]=4 169 B9R0.27 OC[C@H](O)[C@H](O)C(=O)CO T34324 [0,2,0,0,0,0|2,0,0]=4 170 B9R0.27 OC[C@H]([C@@H](C(CO)=O)O)O TQ0190 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.29 CCC(C)C(CC)C(N)=O T17215 [0,2,0,0,0,0|2,0,0]=4 172 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|0,1,0]=3 174 B7R1.4 N[C@@H]1CONC1=O T1589 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|0,1,0]=3 176 B7R1.4 [C@H]1(N)CONC1=O T0710 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.18 OC(=O)C1CCN1 T8100 [1,0,0,1,0,0|0,0,0]=2 178 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [1,0,0,1,0,0|0,0,0]=2 179 B7R1.19 NC1(CC1)C(O)=O T4752 [1,0,0,1,0,0|0,0,0]=2 180 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O T37512 [0,0,0,1,0,1|1,0,0]=3 181 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O T2A2476 [0,0,0,1,0,1|1,0,0]=3 182 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O T4712 [0,0,0,1,0,1|1,0,0]=3 183 B9R1.38 CC1(C)OC(=O)NC1=O T1234 [0,0,0,1,0,1|1,0,1]=4 184 B9R1.152 N[C@@]1(C[C@H](F)C1)C(O)=O T31812 [0,0,0,1,0,1|1,0,0]=3 185 B9R1.41 CN1CCC[C@H]1C(O)=O T40569 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.41 NC1CCCC1C(O)=O T27023 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.106 C[C@@]1(O)[C@H](O)COC1=O TN2750 [0,1,0,1,0,0|2,0,0]=4 190 B7R0.6 CC(=O)CCC(O)=O T5551 [1,0,0,0,0,1|1,0,1]=4 191 B7R0.6 CC(=O)NCC(O)=O T4822 [1,0,0,0,0,1|1,0,1]=4 192 B7R0.6 CC(C)CCC(O)=O T19138 [1,0,0,0,0,1|0,0,0]=2 193 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,0,0,0,0,2|1,0,1]=4 194 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,0,0,0,0,2|1,0,1]=4 195 B9R0.7 CS(=O)CCC(N)C(O)=O T19418 [0,0,0,0,0,2|2,0,0]=4 196 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O T19265 [0,0,0,0,0,2|2,0,0]=4 197 B9R0.7 CS(=O)CC[C@H](N)C(O)=O T19397 [0,0,0,0,0,2|2,0,0]=4 198 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,0,0,0,0,2|1,0,0]=3 199 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,0,0,0,0,2|1,0,0]=3 200 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,0,0,0,0,2|2,0,0]=4