0 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.97 N=C(N)NCCCCC(=O)O CNP0295087.0 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.97 NC(=O)NCCCCC(=O)O CNP0243666.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.97 O=C(Cl)CCCCCC(=O)Cl CNP0111059.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.97 O=C(O)CCSCCC(=O)O CNP0302382.0 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,0,0,0,0|1,1,1]=4 13 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,0,0,0,0|1,1,1]=4 14 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [0,1,0,0,0,0|1,0,0]=2 15 B11R0.6 N[C@@H](CCCC(=O)O)CC(=O)O CNP0360279.1 [0,1,0,0,0,0|1,0,0]=2 16 B11R0.29 CC(=CCSCC(N)C(=O)O)C CNP0119163.0 [0,1,0,0,0,0|2,0,1]=4 17 B11R0.29 CC(=O)NCCC[C@@H](O)C(=O)O CNP0256684.1 [0,1,0,0,0,0|3,0,0]=4 18 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [0,1,0,0,0,0|3,0,0]=4 19 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CNP0267918.2 [0,1,0,0,0,0|2,0,0]=3 20 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.29 N=C(N)CCCC[C@H](N)C(=O)O CNP0377487.1 [0,1,0,0,0,0|3,0,0]=4 22 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O CNP0209633.2 [0,1,0,0,0,0|3,0,0]=4 23 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CNP0209633.1 [0,1,0,0,0,0|3,0,0]=4 24 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CNP0196777.1 [0,1,0,0,0,0|1,0,0]=2 25 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O CNP0131972.1 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.29 N[C@H](/C=C/CCC(=O)O)C(=O)O CNP0206731.1 [0,1,0,0,0,0|1,0,1]=3 27 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O CNP0196777.2 [0,1,0,0,0,0|1,0,0]=2 28 B11R0.29 O=C(O)CCCCC(=O)C(=O)O CNP0201111.0 [0,1,0,0,0,0|1,0,1]=3 29 B11R0.29 O=C(O)CCCC[C@H](O)C(=O)O CNP0228172.1 [0,1,0,0,0,0|1,0,0]=2 30 B11R0.85 CC(=O)CCC(=O)CCC(=O)C CNP0611971.0 [0,1,0,0,0,0|3,0,0]=4 31 B11R0.85 CC(=O)CCC(=O)CCC(=O)O CNP0599150.0 [0,1,0,0,0,0|2,0,0]=3 32 B11R0.85 CC(CCC(=O)O)CCC(=O)O CNP0505818.0 [0,1,0,0,0,0|1,0,0]=2 33 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [0,1,0,0,0,0|2,0,1]=4 34 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.75 O=C(O)CCC1=CC(=O)CC1 CNP0183676.0 [0,0,0,1,0,0|2,0,0]=3 37 B11R1.75 O=C(O)CCC1=CC(=O)OC1 CNP0583583.0 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,0,0,1,0,0|1,0,2]=4 39 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 CNP0399000.1 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 CNP0399000.2 [0,0,0,1,0,0|2,0,0]=3 41 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,0,0,1,0,0|2,0,1]=4 42 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,0,0,1,0,0|2,0,0]=3 43 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CNP0339539.1 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CNP0339539.2 [0,0,0,1,0,0|3,0,0]=4 45 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O CNP0173969.1 [0,0,0,1,0,0|2,0,0]=3 46 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O CNP0381625.2 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O CNP0381625.1 [0,0,0,1,0,0|3,0,0]=4 48 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O CNP0438136.1 [0,0,0,1,0,0|1,0,0]=2 49 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,0,0,0,1,0|1,0,0]=2 50 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,0,0,0,1,0|3,0,0]=4 51 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,0,0,0,1,0|2,0,0]=3 52 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,0,0,1,0|2,0,1]=4 53 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,0,0,0,1,0|3,0,0]=4 54 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,0,0,0,1,0|3,0,0]=4 55 B9R0.55 N=C(N)NCCCC(=O)O CNP0565409.0 [0,0,0,0,1,0|3,0,0]=4 56 B9R0.55 NC(=NCCCC(=O)O)N CNP0333230.0 [0,0,0,0,1,0|3,0,0]=4 57 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,0,0,0,1,0|2,0,0]=3 58 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,0,0,0,1,0|2,0,0]=3 59 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,0,0,0,1,0|2,0,0]=3 60 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,0,0,0,1,0|0,0,2]=3 61 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,0,0,0,1,0|0,0,2]=3 62 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,0,0,0,1,0|0,0,0]=1 63 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,0,0,0,1,0|1,0,0]=2 64 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,0,0,0,0,1|2,0,0]=3 65 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,0,0,0,0,1|2,0,1]=4 66 B11R0.30 N=C(N)NCCCCCC(=O)O CNP0526044.0 [0,0,0,0,0,1|3,0,0]=4 67 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [0,0,0,0,0,1|3,0,0]=4 68 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,0,0,0,0,1|2,0,0]=3 69 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [0,0,0,0,0,1|3,0,0]=4 70 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [0,0,0,0,0,1|1,0,1]=3 71 B11R0.30 O=C(O)CC=CCCCC(=O)O CNP0001595.0 [0,0,0,0,0,1|1,0,1]=3 72 B11R0.30 O=C(O)CCC=CCCC(=O)O CNP0261310.0 [0,0,0,0,0,1|1,0,0]=2 73 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,0,0,0,0,1|1,0,0]=2 74 B11R0.30 O=C(O)CCCCCO[N+](=O)[O-] CNP0534499.0 [0,0,0,0,0,1|2,0,1]=4 75 B11R0.30 O=C(O)CCCNCCC(=O)O CNP0349160.0 [0,0,0,0,0,1|1,0,0]=2 76 B11R0.30 O=C(O)CCSSCCC(=O)O CNP0212217.0 [0,0,0,0,0,1|0,0,0]=1 77 B11R0.30 O=C(O)CNCCNCC(=O)O CNP0081965.0 [0,0,0,0,0,1|2,0,0]=3 78 B11R0.30 O=C(O)CSCCSCC(=O)O CNP0440644.0 [0,0,0,0,0,1|2,0,0]=3 79 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,0,0,0,0,1|1,0,0]=2 80 B8R0.4 C=CCCCCCC=O CNP0184185.0 [2,0,0,0,0,0|2,0,0]=4 81 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [2,0,0,0,0,0|2,0,0]=4 82 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [2,0,0,0,0,0|2,0,0]=4 83 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|1,0,1]=4 85 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [2,0,0,0,0,0|1,0,1]=4 86 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [2,0,0,0,0,0|0,0,1]=3 87 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [2,0,0,0,0,0|0,0,0]=2 88 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,1,0,0,0,0|2,0,0]=4 89 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,1,0,0,0,0|2,0,0]=4 90 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [1,1,0,0,0,0|2,0,0]=4 92 B10R0.75 C=CCSSC[C@H](N)C(=O)O CNP0148945.1 [1,1,0,0,0,0|2,0,0]=4 93 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [1,1,0,0,0,0|2,0,0]=4 95 B10R0.75 N[C@@H](CSSCCO)C(=O)O CNP0533136.1 [1,1,0,0,0,0|1,0,1]=4 96 B10R0.15 CC(=O)CSCCS(=O)(=O)O CNP0496782.0 [0,1,0,0,1,0|2,0,0]=4 97 B10R0.96 CC(=O)CC(=O)CCC(=O)O CNP0178580.0 [0,1,0,0,1,0|1,0,1]=4 98 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O CNP0259340.1 [0,1,0,0,1,0|0,0,0]=2 99 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CNP0259340.2 [0,1,0,0,1,0|0,0,0]=2 100 B10R0.96 NC(=O)CCC(N)CC(=O)O CNP0415823.0 [0,1,0,0,1,0|1,0,0]=3 101 B10R0.96 O=C(O)CCC(=O)CC(=O)O CNP0303700.0 [0,1,0,0,1,0|0,0,1]=3 102 B10R0.96 O=C(O)CCC(O)CC(=O)O CNP0084473.0 [0,1,0,0,1,0|0,0,0]=2 103 B10R0.98 CC(=O)CSC[C@H](N)C(=O)O CNP0525755.1 [0,1,0,0,1,0|1,0,0]=3 104 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,1,0,0,1,0|2,0,0]=4 105 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,1,0,0,1,0|2,0,0]=4 106 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,1,0,0,1,0|2,0,0]=4 107 B10R0.98 C[C@@H](NCCC(=O)O)C(=O)O CNP0294276.2 [0,1,0,0,1,0|1,0,0]=3 108 B10R0.98 C[C@H](NCCC(=O)O)C(=O)O CNP0294276.1 [0,1,0,0,1,0|1,0,0]=3 109 B10R0.98 NC(=O)CCCC(N)C(=O)O CNP0609522.0 [0,1,0,0,1,0|1,0,0]=3 110 B10R0.98 NC(=O)CSC[C@H](N)C(=O)O CNP0535403.1 [0,1,0,0,1,0|1,0,0]=3 111 B10R0.98 NC(CC#CC(=O)O)C(=O)O CNP0341360.0 [0,1,0,0,1,0|0,0,2]=4 112 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CNP0180807.1 [0,1,0,0,1,0|0,0,0]=2 113 B10R0.98 N[C@@H](CCNC(=O)O)C(=O)O CNP0080256.1 [0,1,0,0,1,0|1,0,0]=3 114 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CNP0238143.1 [0,1,0,0,1,0|0,0,0]=2 115 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CNP0180807.2 [0,1,0,0,1,0|0,0,0]=2 116 B10R0.98 O=C(O)CCCC(=O)C(=O)O CNP0300956.0 [0,1,0,0,1,0|0,0,1]=3 117 B10R0.98 O=C(O)CCC[C@@H](O)C(=O)O CNP0094826.1 [0,1,0,0,1,0|0,0,0]=2 118 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O CNP0161259.2 [0,1,0,0,0,1|2,0,0]=4 119 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O CNP0161259.1 [0,1,0,0,0,1|2,0,0]=4 120 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O CNP0047127.1 [0,1,0,0,0,1|2,0,0]=4 121 B12R0.42 N[C@@H](CCCCNC(=O)O)C(=O)O CNP0541226.1 [0,1,0,0,0,1|1,0,0]=3 122 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O CNP0359734.0 [0,1,0,0,0,1|1,0,0]=3 123 B12R0.44 O=C(O)CCCC(=O)NCC(=O)O CNP0041639.0 [0,1,0,0,0,1|1,0,1]=4 124 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,1,0,0,0,1|1,0,0]=3 125 B12R0.184 NCC(=O)CCCCCCC(=O)O CNP0327835.0 [0,1,0,0,0,1|2,0,0]=4 126 B12R0.270 CC(=O)NCCC[C@H](N)CC(=O)O CNP0542324.1 [0,1,0,0,0,1|2,0,0]=4 127 B12R0.270 C[C@H](CCCCC(=O)O)CC(=O)O CNP0190102.1 [0,1,0,0,0,1|1,0,0]=3 128 B12R0.270 O=C(O)CCCCC(O)CC(=O)O CNP0421145.0 [0,1,0,0,0,1|1,0,0]=3 129 B12R0.258 C=C(CCC(=O)O)C(=C)CC(=O)O CNP0084075.0 [0,2,0,0,0,0|1,0,1]=4 130 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O CNP0601769.1 [0,2,0,0,0,0|2,0,0]=4 131 B12R0.687 CC(CC(=O)O)SCC(N)C(=O)O CNP0260031.0 [0,2,0,0,0,0|0,0,0]=2 132 B12R0.687 C[C@@H](CC(=O)O)SC[C@H](N)C(=O)O CNP0260031.1 [0,2,0,0,0,0|0,0,0]=2 133 B12R0.687 N[C@@H](CC[C@H](O)CC(=O)O)C(=O)O CNP0137086.1 [0,2,0,0,0,0|1,0,0]=3 134 B12R0.139 CC(CCC(=O)O)CC(C)C(=O)O CNP0229169.0 [0,2,0,0,0,0|1,0,0]=3 135 B12R0.139 C[C@H](CCC(=O)O)C[C@H](N)C(=O)O CNP0168577.1 [0,2,0,0,0,0|1,0,0]=3 136 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O CNP0165602.2 [0,2,0,0,0,0|2,0,0]=4 137 B12R0.139 N[C@@H](CC(=O)OCC(=O)O)C(=O)O CNP0532334.1 [0,2,0,0,0,0|2,0,0]=4 138 B12R0.139 N[C@@H](C[C@H](O)CCC(=O)O)C(=O)O CNP0266049.1 [0,2,0,0,0,0|1,0,0]=3 139 B12R0.139 N[C@H](CC(=O)NCC(=O)O)C(=O)O CNP0165602.1 [0,2,0,0,0,0|2,0,0]=4 140 B12R0.139 O=C(O)CC[C@@H](O)CC(=O)C(=O)O CNP0379701.1 [0,2,0,0,0,0|1,0,1]=4 141 B12R0.186 COC(=O)CCCC[C@H](N)C(=O)O CNP0276480.1 [0,2,0,0,0,0|1,0,0]=3 142 B12R0.264 N[C@@H](CCCCP(=O)(O)O)C(=O)O CNP0109166.2 [0,2,0,0,0,0|2,0,0]=4 143 B12R0.264 N[C@@H](CSCCS(=O)(=O)N)C(=O)O CNP0603638.1 [0,2,0,0,0,0|1,0,1]=4 144 B12R0.264 N[C@@H](CSCCS(=O)(=O)O)C(=O)O CNP0423951.1 [0,2,0,0,0,0|1,0,0]=3 145 B12R0.264 N[C@@H](CSCC[B-](O)(O)O)C(=O)O CNP0601547.1 [0,2,0,0,0,0|1,0,1]=4 146 B12R0.264 N[C@H](CCCCP(=O)(O)O)C(=O)O CNP0109166.1 [0,2,0,0,0,0|2,0,0]=4 147 B12R0.627 C=C(CCC[C@H](N)C(=O)O)C(=O)O CNP0524899.1 [0,2,0,0,0,0|1,0,1]=4 148 B12R0.627 C[C@@H](CSC[C@H](N)C(=O)O)C(=O)O CNP0180387.1 [0,2,0,0,0,0|0,0,0]=2 149 B12R0.627 C[C@H](CSC[C@H](N)C(=O)O)C(=O)O CNP0180387.2 [0,2,0,0,0,0|0,0,0]=2 150 B12R0.627 NC(CCCC(=O)C(=O)O)C(=O)O CNP0469358.0 [0,2,0,0,0,0|1,0,1]=4 151 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O CNP0300688.1 [0,2,0,0,0,0|1,0,0]=3 152 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O CNP0310110.1 [0,2,0,0,0,0|0,0,0]=2 153 B12R0.627 N[C@H](CCC[C@@H](N)C(=O)O)C(=O)O CNP0300688.3 [0,2,0,0,0,0|1,0,0]=3 154 B12R0.627 N[C@H](CCC[C@H](N)C(=O)O)C(=O)O CNP0300688.2 [0,2,0,0,0,0|1,0,0]=3 155 B12R0.627 N[C@H](CSC[C@H](N)C(=O)O)C(=O)O CNP0310110.2 [0,2,0,0,0,0|0,0,0]=2 156 B12R0.627 N[C@H](C[Se]C[C@H](N)C(=O)O)C(=O)O CNP0423767.1 [0,2,0,0,0,0|0,1,0]=3 157 B12R0.388 CC(C)(CCC(=O)O)CCC(=O)O CNP0265717.0 [0,2,0,0,0,0|1,0,0]=3 158 B12R0.183 COC(=O)CCCCCC(=O)OC CNP0193203.0 [0,2,0,0,0,0|1,0,0]=3 159 B10R1.39 O=NN1CSCC1C(=O)O CNP0192082.0 [1,0,0,1,0,0|2,0,0]=4 160 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [1,0,0,1,0,0|2,0,0]=4 161 B10R1.64 O=C(O)CN1CCCC1=O CNP0509935.0 [1,0,0,1,0,0|2,0,0]=4 162 B10R1.54 O=C(O)CC1=CCC(=O)O1 CNP0288626.0 [0,0,0,1,1,0|0,0,2]=4 163 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,0,0,1,1,0|0,0,0]=2 164 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 CNP0273929.2 [0,0,0,1,1,0|0,0,2]=4 165 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 CNP0273929.1 [0,0,0,1,1,0|0,0,2]=4 166 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,0,0,1,1,0|2,0,0]=4 167 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,1,1,0|2,0,0]=4 168 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,1,1,0|1,0,0]=3 169 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,0,0,1,1,0|1,0,0]=3 170 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,0,0,1,1,0|2,0,0]=4 171 B12R1.143 O=C(O)CCCCCC1=CC1=O CNP0320876.0 [0,0,0,1,0,1|2,0,0]=4 172 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)O CNP0518339.1 [0,0,0,1,0,1|2,0,0]=4 173 B12R1.261 O=C(O)C1=C(CCCC1)C(=O)O CNP0154422.0 [0,0,0,1,0,1|1,0,1]=4 174 B12R1.389 O=C(O)C[C@@H]1CC[C@H](N1)C(=O)O CNP0561527.1 [0,1,0,1,0,0|1,0,0]=3 175 B12R1.498 CC(=O)[C@H]1CC[C@H]([C@@H]1C(=O)O)C CNP0266486.1 [0,1,0,1,0,0|2,0,0]=4 176 B12R1.104 N[C@@H](CN1CCC(=O)O1)C(=O)O CNP0498993.1 [0,1,0,1,0,0|1,0,0]=3 177 B12R1.104 N[C@@H](C[C@@H]1CCC(=O)O1)C(=O)O CNP0123551.1 [0,1,0,1,0,0|1,0,0]=3 178 B12R1.258 O=C(O)C1=NC(CSC1)C(=O)O CNP0288509.0 [0,1,0,1,0,0|0,0,1]=3 179 B12R1.258 O=C(O)C1=N[C@@H](CCC1)C(=O)O CNP0085022.1 [0,1,0,1,0,0|1,0,1]=4 180 B12R1.258 O=C(O)C1CCCC(S1)C(=O)O CNP0164234.0 [0,1,0,1,0,0|1,0,0]=3 181 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O CNP0111400.2 [0,1,0,1,0,0|1,0,0]=3 182 B12R1.258 O=C(O)[C@H]1CCC[C@@H](N1)C(=O)O CNP0111400.1 [0,1,0,1,0,0|1,0,0]=3 183 B12R1.258 O=C(O)[C@H]1CCC[C@@H]([Se]1)C(=O)O CNP0326554.1 [0,1,0,1,0,0|1,0,0]=3 184 B12R1.1391 N[C@H](C(=O)O)[C@H]1C[C@@H]1CC(=O)O CNP0168172.1 [0,1,0,1,0,0|1,0,0]=3 185 B12R1.213 O=C(O)C[C@@H]1C(=O)O[C@H]1C(=O)O CNP0131695.1 [0,1,0,1,0,0|2,0,0]=4 186 B12R1.850 O=C1C[C@@H]([C@@H](O1)C(=O)O)C(=O)O CNP0469411.3 [0,1,0,1,0,0|2,0,0]=4 187 B12R1.850 O=C1C[C@@H]([C@H](O1)C(=O)O)C(=O)O CNP0469411.4 [0,1,0,1,0,0|2,0,0]=4 188 B12R1.850 O=C1C[C@H]([C@@H](O1)C(=O)O)C(=O)O CNP0469411.1 [0,1,0,1,0,0|2,0,0]=4 189 B12R1.850 O=C1C[C@H]([C@H](O1)C(=O)O)C(=O)O CNP0469411.2 [0,1,0,1,0,0|2,0,0]=4 190 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)C CNP0233643.1 [0,1,0,1,0,0|2,0,0]=4 191 B12R2.2456 O=C(O)[C@@H]1CC[C@H]2N1C(=O)C2 CNP0131984.2 [0,0,0,2,0,0|2,0,0]=4 192 B12R2.2456 O=C(O)[C@H]1CCC2N1C(=O)C2 CNP0131984.3 [0,0,0,2,0,0|2,0,0]=4 193 B12R2.2456 O=C(O)[C@H]1CC[C@H]2N1C(=O)C2 CNP0131984.1 [0,0,0,2,0,0|2,0,0]=4 194 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,2,0|2,0,0]=4 195 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,2,0|1,0,0]=3 196 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,2,0|2,0,0]=4 197 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,2,0|1,0,1]=4 198 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,0,0,0,2,0|2,0,0]=4 199 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,0,0,0,2,0|2,0,0]=4 200 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,0,0,0,2,0|0,0,2]=4 201 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,0,0,2,0|0,0,0]=2 202 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,0,0,2,0|1,0,0]=3 203 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,2,0|0,1,0]=3 204 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,0,0,2,0|0,0,0]=2 205 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [0,0,0,0,0,2|2,0,0]=4 206 B12R0.268 O=C(O)C=CCCCCCC(=O)O CNP0140769.0 [0,0,0,0,0,2|1,0,0]=3 207 B12R0.268 O=C(O)CCCCCCCC(=O)O CNP0225848.0 [0,0,0,0,0,2|1,0,0]=3