0 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,0,1,0,0,0|2,0,0]=3 17 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,0,1,0,0,0|1,0,1]=3 19 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,0,1,0,0,0|2,0,0]=3 22 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,1,0,0,0|1,0,0]=2 25 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,0,1,0,0,0|1,0,1]=3 28 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,0,1,0,0,0|1,0,1]=3 30 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,1,0,0,0|2,0,0]=3 32 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,0,1,0,0,0|3,0,0]=4 33 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,0,1,0,0,0|3,0,0]=4 35 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,0,1,0,0,0|3,0,0]=4 40 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,0,1,0,0,0|2,0,0]=3 42 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,0,1,0,0,0|1,0,1]=3 45 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,0,1,0,0,0|1,0,1]=3 49 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,0,1,0,0,0|1,0,1]=3 52 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,0,1,0,0,0|0,0,2]=3 53 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,0,1,0,0,0|0,0,0]=1 54 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,0,1,0,0,0|2,0,0]=3 56 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,0,1,0,0,0|0,0,0]=1 59 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,0,1,0,0,0|1,0,1]=3 60 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,0,1,0,0,0|2,0,0]=3 63 B10R2.174 C=C1CCC2C1C(=O)N2 CNP0193176.0 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,0,1,0|2,0,0]=3 65 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,1,0|3,0,0]=4 66 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,0,1,0|3,0,0]=4 67 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,1,0|2,0,1]=4 68 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,0,1,0|2,0,1]=4 69 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,0,1,0|1,0,1]=3 70 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,0,1,0|2,0,1]=4 71 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,0,1,0|1,0,1]=3 72 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,0,1,0|1,0,1]=3 73 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,0,1,0|2,0,1]=4 74 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,0,1,0|1,0,2]=4 75 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,0,1,0|0,0,0]=1 76 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,0,1,0|2,0,0]=3 77 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,0,1,0|2,0,1]=4 78 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,0,1,0|1,0,1]=3 79 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,0,1,0|2,0,1]=4 80 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,0,1,0|2,0,1]=4 81 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,0,0,1,0|0,0,2]=3 82 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,0,1,0|0,0,0]=1 83 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,0,1,0|0,0,2]=3 84 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,0,0,0,1,0|2,0,0]=3 85 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,0,0,1|1,0,0]=2 87 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,1,0,0,0|2,0,0]=4 88 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,1,0,0,0|1,0,1]=4 90 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,1,0,0,0|1,0,1]=4 91 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,1,0,0,0|1,0,0]=3 92 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,1,0,0,0|1,0,1]=4 93 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,1,0,0,0|0,0,1]=3 94 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,1,0,0,0|1,0,1]=4 95 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,1,0,0,0|1,0,0]=3 96 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,1,0,0,0|1,0,0]=3 97 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,1,0,0,0|1,0,1]=4 98 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,1,0,0,0|1,0,0]=3 99 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,1,0,0,0|1,0,1]=4 100 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,1,0,0,0|0,0,1]=3 101 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,1,0,0,0|1,0,1]=4 102 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,1,0,0,0|1,0,1]=4 103 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,1,0,0,0|0,0,1]=3 104 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,1,0,0,0|2,0,0]=4 106 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,1,0,0,0|1,0,1]=4 110 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,1,0,0,0|0,0,1]=3 111 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,1,0,0,0|0,1,1]=4 112 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,1,0,0,0|1,0,1]=4 113 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,1,0,0,0|1,0,1]=4 114 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,1,0,0,0|2,0,0]=4 118 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,1,0,0,0|2,0,0]=4 119 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,0,1,0,0,0|1,0,1]=4 121 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,1,0,0,0|1,0,1]=4 122 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,1,0,0,0|0,0,1]=3 127 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,1,0,0,0|1,0,1]=4 131 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,1,0,0,0|1,0,1]=4 133 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,1,0,0,0|1,0,0]=3 134 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,1,0,0,0|0,0,1]=3 138 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,1,0,0,0|0,1,1]=4 139 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,1,0,0,0|0,0,1]=3 140 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,1,0,0,0|0,0,1]=3 141 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,1,0,0,0|1,0,0]=3 142 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,1,0,0,0|1,0,1]=4 143 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,1,0,0,0|2,0,0]=4 147 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,1,0,0,0|1,0,0]=3 148 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,1,0,0,0|0,0,1]=3 150 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,1,0,0,0|0,0,0]=2 152 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [2,0,0,0,0,0|1,0,1]=4 153 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,1,1,0,0,0|2,0,0]=4 154 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,1,1,0,0,0|2,0,0]=4 155 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,1,1,0,0,0|2,0,0]=4 156 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,1,0,0,0|1,0,0]=3 157 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,1,0,0,0|1,0,1]=4 158 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,1,0,0,0|1,0,1]=4 159 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,1,0,0,0|1,0,0]=3 163 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,1,0,0,0|2,0,0]=4 164 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,1,0,0,0|1,0,1]=4 166 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,1,0,0,0|1,0,1]=4 167 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,1,0,0,0|1,0,0]=3 168 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,1,0,0,0|1,0,0]=3 169 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,1,1,0,0,0|1,0,1]=4 170 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,1,0,0,0|1,0,1]=4 171 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,1,0,0,0|1,0,1]=4 172 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,1,0,0,0|1,0,1]=4 173 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,1,0,0,0|1,0,1]=4 174 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,1,0,0,0|2,0,0]=4 175 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [0,1,1,0,0,0|1,0,1]=4 176 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [0,1,1,0,0,0|1,0,1]=4 177 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,1,1,0,0,0|1,0,1]=4 178 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [0,1,1,0,0,0|1,0,1]=4 179 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,1,1,0,0,0|1,0,1]=4 180 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,1,0,0,0|1,0,1]=4 181 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,1,0,0,0|2,0,0]=4 182 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,1,0,0,0|1,0,1]=4 183 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,1,0,0,0|2,0,0]=4 184 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,1,1,0,0,0|1,0,1]=4 185 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,1,0,0,0|1,0,1]=4 186 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.2 NN=CNCCCC(=O)O CNP0018496.0 [0,1,1,0,0,0|2,0,0]=4 188 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,1,1,0,0,0|0,1,1]=4 189 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,1,0,0,0|2,0,0]=4 190 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,1,0,0,0|1,0,1]=4 191 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,1,1,0,0,0|2,0,0]=4 192 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,1,1,0,0,0|2,0,0]=4 193 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,1,0,0,0|1,0,1]=4 194 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,1,0,0,0|1,0,1]=4 195 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,1,0,0,0|1,0,1]=4 196 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,1,0,0,0|1,0,1]=4 197 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,1,0,0,0|1,0,1]=4 198 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,1,1,0,0,0|2,0,0]=4 199 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,1,1,0,0,0|2,0,0]=4 200 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,1,1,0,0,0|2,0,0]=4 201 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,1,1,0,0,0|0,0,0]=2 205 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,1,1,0,0,0|0,0,2]=4 206 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,1,1,0,0,0|0,0,2]=4 208 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,1,1,0,0,0|1,0,1]=4 209 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,1,1,0,0,0|0,0,0]=2 210 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,1,1,0,0,0|1,0,0]=3 212 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,1,1,0,0,0|1,0,1]=4 213 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.55 N=C(N)NCCCC(=O)O CNP0565409.0 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.55 NC(=NCCCC(=O)O)N CNP0333230.0 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,1,1,0,0,0|1,0,0]=3 218 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,1,1,0,0,0|1,0,0]=3 219 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,1,1,0,0,0|1,0,0]=3 220 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,1,1,0,0,0|0,0,2]=4 221 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,1,1,0,0,0|0,0,2]=4 222 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,1,1,0,0,0|0,0,0]=2 223 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,1,1,0,0,0|1,0,0]=3 224 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,1,1,0,0,0|1,0,1]=4 225 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,1,0,0,0,0|0,0,1]=3 227 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,0,1,0|1,0,1]=4 229 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,0,1,0|2,0,0]=4 230 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,0,1,0|1,0,0]=3 231 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,1,0|2,0,0]=4 232 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,0,1,0|1,0,1]=4 233 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,0,1,0|1,0,1]=4 234 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,1,0|1,0,1]=4 235 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,1,0,0,1,0|2,0,0]=4 236 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,1,0,0,1,0|2,0,0]=4 237 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,0,1,0|1,0,1]=4 238 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,0,1,0|1,0,1]=4 239 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,0,1,0|1,0,1]=4 240 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,0,1,0|1,0,1]=4 241 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,0,1,0|1,0,1]=4 242 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,0,1,0|1,0,1]=4 243 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,0,1,0|0,0,2]=4 244 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,0,1,0|0,0,2]=4 245 B9R1.15 N#CC1=C(CCCC1)N CNP0339241.0 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.558 O=C1OCCCOC(=O)C1=O CNP0345641.0 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,0,0,1|1,0,1]=4 248 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,0,0,1|1,0,1]=4 249 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [0,0,1,1,0,0|1,0,1]=4 250 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,1,1,0,0|2,0,0]=4 251 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,0,1,1,0,0|2,0,0]=4 252 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,1,1,0,0|2,0,0]=4 253 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,0,1,1,0,0|2,0,0]=4 254 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [0,0,1,1,0,0|2,0,0]=4 255 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,0,1,1,0,0|2,0,0]=4 256 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,1,1,0,0|1,0,1]=4 257 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,0,1,1,0,0|1,0,1]=4 258 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,0,1,1,0,0|1,0,0]=3 259 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,1,1,0,0|1,0,1]=4 260 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,1,1,0,0|2,0,0]=4 261 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,0,1,1,0,0|2,0,0]=4 262 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,0,1,1,0,0|1,0,1]=4 263 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,1,1,0,0|1,0,1]=4 264 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,1,1,0,0|2,0,0]=4 265 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,0,1,1,0,0|2,0,0]=4 266 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,1,1,0,0|1,0,1]=4 267 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,1,1,0,0|1,0,1]=4 268 B9R1.37 CC1=C(C(=O)OC1=O)C CNP0306912.0 [0,0,1,1,0,0|0,0,2]=4 269 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,0,1,1,0,0|2,0,0]=4 270 B9R1.37 C[C@@H]1C(=O)NC(=O)N1C CNP0319297.1 [0,0,1,1,0,0|2,0,0]=4 271 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [1,0,0,1,0,0|2,0,0]=4 272 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [1,0,0,1,0,0|1,0,1]=4 273 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,1,1,0|1,0,1]=4 274 B11R2.66 O=C1CN2C(=O)CCC2N1 CNP0577679.0 [0,0,0,1,0,1|2,0,0]=4 275 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,1,0,1,0|2,0,0]=4 276 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,0,1,0,1,0|1,0,0]=3 277 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,1,0,1,0|0,0,0]=2 278 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,0,1,0,1,0|1,0,0]=3 279 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,0,1,0,1,0|1,0,0]=3 280 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,0,1,0,1,0|1,0,1]=4 281 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,0,1,0,1,0|0,0,2]=4 282 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,0,1,0,1,0|0,0,2]=4 283 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,0,1,0,1,0|1,0,1]=4 284 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,0,1,0,1,0|0,0,2]=4 285 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,1,0,1,0|1,0,0]=3 286 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,0,1,0,1,0|2,0,0]=4 287 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,0,1,0,1,0|1,0,1]=4 288 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,0,1,0,1,0|0,0,0]=2 289 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,0,1,0,1,0|1,0,1]=4 290 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,0,1,0,1,0|1,0,1]=4 291 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,0,1,0,1,0|2,0,0]=4 292 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,0,1,0,1,0|2,0,0]=4 293 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,0,1,0|1,0,1]=4 294 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,0,1,0|1,0,0]=3 295 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,0,1,0|1,0,1]=4 296 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,0,1,0|0,0,1]=3 297 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,0,1,0|1,0,1]=4 298 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,0,1,0|1,0,1]=4 299 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,0,1,0|0,0,1]=3 300 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,0,1,0|1,0,0]=3 301 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,0,1,0|0,0,1]=3 302 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,0,1,0|1,0,0]=3 303 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,0,1,0|0,0,0]=2 304 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,0,1,0|1,0,1]=4 305 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,0,1,0|2,0,0]=4 306 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,0,1,0|0,0,1]=3 307 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,0,1,0|1,0,1]=4 308 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,0,1,0|1,1,0]=4 309 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,2,0|2,0,0]=4 310 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,2,0|1,0,1]=4 311 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,0,2,0|1,0,1]=4 312 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,0,2,0|1,0,1]=4 313 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,0,2,0|0,0,2]=4 314 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,0,2,0|1,0,1]=4 315 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,0,2,0|1,0,0]=3 316 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,0,2,0|1,0,0]=3 317 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,0,2,0|0,0,0]=2 318 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,0,2,0|2,0,0]=4 319 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,0,2,0|2,0,0]=4 320 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,0,2,0|2,0,0]=4 321 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,2,0|2,0,0]=4 322 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,2,0|1,0,1]=4 323 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,0,2,0|2,0,0]=4 324 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,0,2,0|1,0,1]=4 325 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,0,2,0|1,0,1]=4 326 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,2,0|0,0,2]=4 327 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,2,0|0,0,2]=4 328 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,0,2,0|0,0,0]=2 329 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,0,1,0,0,1|1,0,0]=3 330 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,0,1,0,0,1|1,0,1]=4