0 B7R0.5 C#CCC(C(=O)O)N T20129 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 CC(CC=C)C(O)=O T8058 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.5 CC/C=C(\C)C(O)=O T8052 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.5 CCCC(=O)C(O)=O T13484 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.5 CCCC(C)C(O)=O T5685 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.5 CCCC(N)C(O)=O T11054 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.5 CCC[C@H](N)C(O)=O T4788 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 CCOC(=O)C(C)=O T8030 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 CNCC(N)C([O-])=O T33346 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.5 CSC[C@H](N)C(O)=O T8072 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 NC(CC=C)C(O)=O T25052 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.5 NC(CCS)C(O)=O T4863 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 NCC[C@H](N)C(O)=O T7595 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 C/C=C(/C)C(O)=O T3328 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.3 C/C=C(\C)C(O)=O T5542 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.3 CC(CN)C(O)=O T4887 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.3 CC(CO)C(O)=O T19619 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.3 CC(CO)C([O-])=O T29401 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.3 CCC(N)C(O)=O TN6936 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 CCC(O)C([O-])=O T4738 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.3 C[C@@H](CN)C(O)=O T7357 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 C[C@@H](CN)C(O)=O T7401 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 NC(CO)C(O)=O T8363 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 NC(CS)C(=O)O T8141 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 NCC(N)C(O)=O T4755 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 NC[C@H](N)C(O)=O T5978 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 NC[C@H](N)C(O)=O T7335 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.3 N[C@@H](CS)C(O)=O T1547L [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 N[C@H](CO)C(O)=O T8394 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 N[C@H](CS)C(O)=O T10933 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.3 O=C(O)[C@H](C)CO T19617 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 OC(=O)C(=O)CBr T5882 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 OCC(=O)C(O)=O T19365 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 OCC(O)C(O)=O T19289 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 CCOCC(O)=O T37501 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.4 COCCC(O)=O T20899 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.4 CSCCC(O)=O T5285 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.4 NC/C=C/C(O)=O T23414 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 NCCCC(O)=O T0508 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.4 OC(=O)CCC#C T0580 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.4 OC(=O)CCC=C T8032 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.4 OC(=O)CNC=O T4741 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 [O-]C(=O)CCC#C T13893 [1,0,0,0,0,0|0,0,3]=4 60 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.2 OCC(O)C(O)C([O-])=O T5216 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.8 CCCCC(C)C(O)=O T8080 [0,1,0,0,0,0|0,0,0]=1 68 B8R0.8 CCCCC(O)C(O)=O T5224 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.8 COCCC(N)C(O)=O T33328 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.8 CSCCC(=O)C([O-])=O T33519 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.8 CSCCC(N)C(O)=O TJO2742 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.8 CSCCC(O)C(O)=O T20705 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.8 CSCCC(O)C([O-])=O T5082 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.8 NOCC[C@H](N)C(O)=O T11802 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.8 N[C@@H](CCC#C)C(O)=O T15694 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.23 CC(C)CC(N)C(O)=O T4772 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.23 CC(C)C[C@@H](O)C(O)=O T19539 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.23 CC(C)C[C@H](C(O)=O)N T9299 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.23 CC(C)C[C@H](N)C(O)=O T3O2749 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.23 CC(C)C[C@H](N)[13C](O)=O T32811 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.23 CC(C)C[C@H](O)C(O)=O T5294 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.23 CC(CC(O)=O)C(O)=O T5231 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.23 CN(C)CC(N)C(O)=O T25128 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.23 C[C@H](NC(C)=O)C(O)=O T4839 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O T30135 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T19399 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T2O2731 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T11803 [0,1,0,0,0,0|3,0,0]=4 102 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T41301 [0,1,0,0,0,0|3,0,0]=4 103 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.23 N[C@H](CC(O)=O)C(O)=O T4885 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.23 OC(CC(O)=O)C(O)=O T20113 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.23 OC(CC(O)=O)C(O)=O T2S0850 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.23 O[C@@H](CC(O)=O)C(O)=O T4838 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.5 NC1CCCNC1=O T13495 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.5 O[C@@H]1CCCC[C@H]1O T4763 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.5 O[C@H]1CCCC[C@H]1O TN6922 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.7 OC(=O)C1CSCN1 T0221 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.7 OC(=O)C1CSSC1 T10388 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.7 SC(=S)N1CCCC1 T3147 [0,0,0,1,0,0|1,2,0]=4 120 B8R1.18 CC1OC(C)=CC1=O T22309 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.78 NC1(CCC1)C(O)=O T22542 [0,0,0,1,0,0|1,0,0]=2 122 B8R0.5 CCCC(C)OC(N)=O T32052 [0,0,0,0,0,1|1,0,0]=2 123 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,0,0,0,0,1|2,0,1]=4 124 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|0,0,2]=4 125 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|0,0,1]=3 126 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 C[C@@H](CCO)O T9257 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 C[C@@H](O)CCO T19538 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 NCCP(O)=O TN2749 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 NCCS(O)=O T5225 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 NOCC(O)=O T29033 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 NOCC(O)=O T5880 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|0,0,0]=2 136 B5R0.3 CCC(O)C=C TN6958 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.3 OCC(O)C=O T4918 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.5 CC(=O)C(O)=O T4804 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.5 CC(O)C(O)=O TN6945 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.5 CC(O)C([O-])=O T20574 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.5 CC(O)C([O-])=O T32809 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(O)C([O-])=O T5220 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.5 CN(C)C(C)=O T19439 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.5 C[C@@H](N)C(O)=O T4811 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.5 C[C@@H](O)C(O)=O T10943 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.5 C[C@H](N)C(O)=O TJO2729 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.5 C[C@H](N)C(O)=O TN1003 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.5 C[C@H](O)C(O)=O T4845 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.5 C[C@H](O)C([O-])=O T4103 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.5 O=C(O)[C@H](C)N T34103 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.5 OC(=O)C(Cl)Br T9288 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.2 CC(C)C[C@H](N)C=O T25675 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.10 OC[C@@H](O)[C@@H](O)C=O T19828 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.10 OC[C@H](O)[C@H](O)C=O T20229 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.13 CCC(C)(O)C(O)=O T5550 [1,1,0,0,0,0|0,0,0]=2 157 B7R0.13 CC[C@@](C)(N)C(O)=O T20589 [1,1,0,0,0,0|0,0,0]=2 158 B7R0.13 OC(=O)C(Cl)(Cl)CCl T30898 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.13 [2H][C@@](N)(CF)C(O)=O T31813 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.15 CCC(CC)C(O)=O T8027 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.16 CC(C(O)=O)C(O)=O T4817 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.16 CC(C)C(=O)C(O)=O T5232 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.16 CC(C)C(O)C(O)=O T5273 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.16 NC(C(C)C)C(O)=O T9294 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.4 NCCCCC(O)=O T5089 [1,1,0,0,0,0|0,0,0]=2 173 B7R0.4 OC(=O)COCCBr T14786 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.6 CC(=O)CCC(O)=O T5551 [1,1,0,0,0,0|0,0,1]=3 175 B7R0.6 CC(=O)NCC(O)=O T4822 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.6 CC(C)CCC(O)=O T19138 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.6 OC(=O)CCC(O)=O T2719 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.6 OC(=O)CC[N+]([O-])=O T3009 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.8 CP(O)(=O)CCCN T23368 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.8 NCCCP(O)(O)=O T38205 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.8 NCCCS(O)(=O)=O T0883 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.4 NCCC[C@@H](N)CC(O)=O T29260 [0,1,0,0,0,1|1,0,0]=3 183 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,1,0,0,0,1|1,0,1]=4 184 B9R0.58 CC(O)(CCO)CC(O)=O T19427 [0,1,0,0,0,1|1,0,0]=3 185 B9R0.58 C[C@](O)(CCO)CC(O)=O T32825 [0,1,0,0,0,1|1,0,0]=3 186 B9R0.58 O=C(O)CC(C)(O)CCO T19426 [0,1,0,0,0,1|1,0,0]=3 187 B9R0.27 OCC([C@H]([C@@H](CO)O)O)=O T35211 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.27 OC[C@H](O)[C@H](O)C(=O)CO T34324 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.27 OC[C@H]([C@@H](C(CO)=O)O)O TQ0190 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.29 CCC(C)C(CC)C(N)=O T17215 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O T7448 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O TN6405 [0,2,0,0,0,0|1,0,0]=3 193 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(O)=O T2P2919 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.7 C(=O)([C@@H](N)CCC(=O)N)O T0326L [0,2,0,0,0,0|1,0,1]=4 195 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,2,0,0,0,0|1,0,1]=4 197 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,2,0,0,0,0|0,0,1]=3 198 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,2,0,0,0,0|0,0,1]=3 199 B9R0.7 CS(=O)CCC(N)C(O)=O T19418 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O T19265 [0,2,0,0,0,0|1,0,0]=3 201 B9R0.7 CS(=O)CC[C@H](N)C(O)=O T19397 [0,2,0,0,0,0|1,0,0]=3 202 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,2,0,0,0,0|1,0,0]=3 203 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.7 NC(CCC(N)=O)C(O)=O T0326 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.7 NC(CC[C@H](N)C(O)=O)=O T34105 [0,2,0,0,0,0|1,0,1]=4 206 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T24594 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T2A2497 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T31266 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T34937 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.7 N[C@@H](CC[14C](O)=O)C(O)=O T32734 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.7 N[C@H](CCC(N)=O)C(O)=O T6468 [0,2,0,0,0,0|1,0,1]=4 212 B9R0.7 N[C@H](CCC(O)=O)C(O)=O T10935 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.7 O[C@@H](CCC(O)=O)C(O)=O T13749 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.42 O=C(O)C(C)OC(CO)=O T19521 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.47 C/C=C/SC[C@H](N)C(O)=O T12789 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.47 CCCCCC(C)C(O)=O T8008 [0,2,0,0,0,0|0,0,0]=2 218 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [0,2,0,0,0,0|1,0,0]=3 219 B9R0.47 NCCCCC(N)C(O)=O T19290 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [0,2,0,0,0,0|1,0,0]=3 222 B9R0.47 NCCCC[C@H](N)C(N)=O T32814 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [0,2,0,0,0,0|1,0,0]=3 224 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [0,2,0,0,0,0|1,0,0]=3 225 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [0,2,0,0,0,0|1,0,0]=3 227 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [0,2,0,0,0,0|1,0,0]=3 228 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.47 NCCCC[C@H]([NH3+])C(O)=O T2A2498L [0,2,0,0,0,0|1,0,0]=3 241 B9R0.47 NCCOC[C@H](N)C(O)=O T11795 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.47 NCC[Se]C[C@H](N)C(O)=O T26183 [0,2,0,0,0,0|1,0,0]=3 243 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [0,2,0,0,0,0|1,0,0]=3 244 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [0,2,0,0,0,0|1,0,0]=3 245 B9R0.47 N[C@@H](CCN=[N+]=[N-])C(O)=O T15693 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.47 N[C@@H](CCSC=C)C(O)=O T35061 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.47 N[C@@H](CCSN=O)C(O)=O T26199 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.47 N[C@@H](CSCC#C)C(O)=O T19728 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.47 N[C@@H](CSCCN)C(O)=O T34844 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.47 OC(=O)[C@@H](N)CSCC=C T2772 [0,2,0,0,0,0|1,0,1]=4 251 B9R0.11 CC(C)(CC(O)=O)C(O)=O T19092 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.15 CCCC(CCC)C(N)=O T0355 [0,2,0,0,0,0|1,0,0]=3 253 B9R0.15 CCCC(CCC)C(O)=O T6474 [0,2,0,0,0,0|0,0,0]=2 254 B9R0.15 CCCC(CCC)C(O)=O T7064 [0,2,0,0,0,0|0,0,0]=2 255 B9R0.15 CCCC(CCC)C([O-])=O T1602 [0,2,0,0,0,0|0,0,1]=3 256 B9R0.15 CCCC(CCC)C([O-])=O T33064 [0,2,0,0,0,0|0,0,1]=3 257 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T0875 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T33570 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.39 CC(=O)N[C@H](CS)C(O)=O T38155 [0,2,0,0,0,0|1,0,1]=4 260 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,2,0,0,0,0|1,0,1]=4 261 B9R0.57 CC(C)(C)C[C@H](N)C(O)=O T31907 [0,2,0,0,0,0|1,0,0]=3 262 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.18 OC(=O)C1CCN1 T8100 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.19 NC1(CC1)C(O)=O T4752 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.41 CN1CCC[C@H]1C(O)=O T40569 [0,0,0,1,0,1|1,0,0]=3 270 B9R1.41 NC1CCCC1C(O)=O T27023 [0,0,0,1,0,1|1,0,0]=3 271 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.11 ONC(=O)C1=CCCC1 T25175 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.6 OC(=O)C1=CCCNC1 T7557 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.6 OC(=O)C1=CCCNC1 TN1717 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.6 OC(=O)C1=CCNCC1 T11684 [0,1,0,1,0,0|0,0,2]=4 277 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,1,0,1,0,0|0,0,0]=2 278 B9R1.6 OC(=O)C1CCCCN1 T4819 [0,1,0,1,0,0|0,0,0]=2 279 B9R1.6 OC(=O)C1CCNCC1 T22348 [0,1,0,1,0,0|0,0,0]=2 280 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [0,1,0,1,0,0|0,0,0]=2 281 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [0,1,0,1,0,0|0,0,0]=2 282 B9R1.6 OC(=O)[C@H]1CCCNC1 T20114 [0,1,0,1,0,0|0,0,0]=2 283 B9R1.6 OC([C@@H]1CCCNC1)=O T22482 [0,1,0,1,0,0|0,0,0]=2 284 B9R1.6 [O-][N+](=O)C1CCCCC1 T20405 [0,1,0,1,0,0|1,0,1]=4 285 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O T37512 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O T2A2476 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O T4712 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.163 NC1(CCCC1)C(O)=O T9626 [0,1,0,1,0,0|0,0,0]=2 294 B9R1.152 N[C@@]1(C[C@H](F)C1)C(O)=O T31812 [0,1,0,1,0,0|1,0,0]=3 295 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,0]=3