0 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.28 CC(=CCC=C(C)C)C CNP0564316.0 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,0|0,0,2]=2 20 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,0|0,0,0]=0 21 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,0|0,1,2]=3 24 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,0,0,0,0,0|0,1,0]=1 25 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,0,0,0,0,0|3,1,0]=4 40 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [1,0,0,0,0,0|1,1,1]=4 49 B7R0.4 CC(C)CCNC=O CNP0473179.0 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,0,0,0,0,0|0,0,0]=1 51 B7R0.4 CC(C)CCON=O CNP0341686.0 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|1,1,1]=4 65 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|1,1,1]=4 68 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,0,0,0,0,0|2,1,0]=4 69 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|0,0,0]=1 70 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,0,0,0,0,0|1,1,1]=4 72 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,0,0,0,0,0|0,0,3]=4 78 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|0,0,1]=2 81 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|3,0,0]=4 86 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|3,0,0]=4 87 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,0,0,0,0,0|1,0,2]=4 90 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [0,1,0,0,0,0|0,0,2]=3 102 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,0,0,0,0|1,0,1]=3 103 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,0,0,0,0|1,0,1]=3 105 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.1 CC=C(C)CCC=C(C)C CNP0355870.0 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,0,0,0,0|1,0,1]=3 109 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|0,0,0]=1 110 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,1,0,0,0,0|3,0,0]=4 125 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,1,0,0,0,0|3,0,0]=4 128 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,0,0|3,0,0]=4 129 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,1,0,0,0,0|3,0,0]=4 130 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,0,0|3,0,0]=4 131 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,1,0,0,0,0|3,0,0]=4 132 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,1,0,0,0,0|3,0,0]=4 133 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,1,0,0,0,0|3,0,0]=4 134 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,1,0,0,0,0|3,0,0]=4 135 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,1,0,0,0,0|3,0,0]=4 137 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,1,0,0,0,0|3,0,0]=4 138 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,1,0,0,0,0|3,0,0]=4 139 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,1,0,0,0,0|3,0,0]=4 140 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,1,0,0,0,0|1,0,0]=2 141 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,0,0,0,0|1,0,1]=3 142 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,1,0,0,0,0|0,0,0]=1 145 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,0,0|1,0,2]=4 146 B9R0.53 CC(C)CC(C)CC(C)C CNP0076048.0 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.53 CC(C)CC(O)CC(C)C CNP0003532.0 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.53 CC(C)OC(C)OC(C)C CNP0324928.0 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.56 CC(=O)C=CNC(C)(C)C CNP0065095.0 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,1,0,0,0,0|1,0,0]=2 154 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,1,0,0,0,0|0,0,0]=1 155 B9R0.56 CC(=O)OCCS(=O)(=O)Cl CNP0150555.0 [0,1,0,0,0,0|3,0,0]=4 156 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [0,1,0,0,0,0|1,0,0]=2 157 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [0,1,0,0,0,0|1,0,0]=2 158 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [0,1,0,0,0,0|1,0,0]=2 159 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [0,1,0,0,0,0|1,0,0]=2 160 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [0,1,0,0,0,0|1,0,0]=2 161 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [0,1,0,0,0,0|1,0,0]=2 162 B9R0.56 CN(C)CCOP(=O)(O)O CNP0082860.0 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.56 C[C@@H](N)CCCC(C)(C)O CNP0355424.2 [0,1,0,0,0,0|2,0,1]=4 164 B9R0.56 C[C@H](N)CCCC(C)(C)O CNP0355424.1 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.56 C[C@H](O)OCC[N+](C)(C)C CNP0065769.1 [0,1,0,0,0,0|1,0,2]=4 166 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [0,1,0,0,0,0|3,0,0]=4 167 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CNP0082937.0 [0,1,0,0,0,0|3,0,0]=4 168 B9R0.56 C[N+](C)(C)CCOC(=N)[O-] CNP0578103.0 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [0,1,0,0,0,0|2,0,0]=3 170 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [0,1,0,0,0,0|2,0,0]=3 171 B9R0.56 C[N+](C)CCOP(=O)([O-])O CNP0546607.0 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,0,0,1,0,0|1,0,2]=4 173 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,1,0,0|0,0,2]=3 174 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,0,0,1,0,0|2,0,1]=4 177 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,0|2,0,0]=3 178 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,0|1,0,0]=2 179 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,0|3,0,0]=4 181 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,0|3,0,0]=4 189 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|2,0,0]=3 190 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,0,0,1,0,0|1,0,2]=4 191 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,0|1,0,0]=2 192 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [0,0,0,1,0,0|2,0,1]=4 193 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,0|1,0,0]=2 194 B9R1.66 C[N+]1(CCOC(C1)O)C CNP0499821.0 [0,0,0,1,0,0|1,0,2]=4 195 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.161 C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] CNP0427665.1 [0,0,0,1,0,0|3,0,0]=4 198 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,1,0|0,0,2]=3 199 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,1,0|1,0,2]=4 200 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,1,0|0,0,2]=3 201 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,1,0|1,0,1]=3 202 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,1,0|2,0,1]=4 203 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,1,0|2,0,1]=4 204 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,1,0|2,0,1]=4 205 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,1,0|0,0,0]=1 206 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,1,0|1,0,1]=3 207 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,1,0|1,0,0]=2 208 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,1,0|1,0,0]=2 209 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,1,0|2,0,1]=4 210 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,1,0|0,0,0]=1 211 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,1,0|2,0,1]=4 212 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,1,0|1,0,2]=4 213 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,1,0|1,0,2]=4 214 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,1,0|1,0,0]=2 215 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,1,0|1,0,0]=2 216 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,1,0|1,0,0]=2 217 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,0,0,0,1,0|1,0,1]=3 218 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,0,0,0,1,0|2,0,1]=4 219 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,0,0,0,1,0|1,0,2]=4 220 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,1,0|2,0,0]=3 221 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,1,0|2,0,0]=3 222 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,1,0|2,0,0]=3 223 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,1,0|2,0,0]=3 224 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,1,0|2,0,0]=3 225 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,1,0|2,0,0]=3 226 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,1,0|2,0,0]=3 227 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,0,0,1,0|3,0,0]=4 228 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,1,0|2,0,0]=3 229 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [0,0,0,0,0,1|2,0,1]=4 230 B9R0.55 CC(=CCCC=C(C)C)C CNP0076355.0 [0,0,0,0,0,1|2,0,1]=4 231 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,0,0,0,0,1|1,0,0]=2 232 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,0,0,0,0,1|1,0,0]=2 233 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,0,0,0,0,1|2,0,1]=4 234 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [0,0,0,0,0,1|2,0,1]=4 235 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [0,0,0,0,0,1|0,0,1]=2 236 B9R0.55 CC(=O)OCCC[N+](=O)[O-] CNP0400993.0 [0,0,0,0,0,1|3,0,0]=4 237 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,0,0,0,0,1|2,0,0]=3 238 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,0,0,0,1|2,0,0]=3 239 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [0,0,0,0,0,1|2,0,1]=4 240 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,0,0,0,0,1|1,0,2]=4 241 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,0,0,0,0,1|3,0,0]=4 242 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,0,0,0,0,1|3,0,0]=4 243 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 245 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|0,0,2]=4 247 B6R0.4 C=CCSC(C)C CNP0309084.0 [2,0,0,0,0,0|1,0,1]=4 248 B6R0.4 CC(=CCC=O)C CNP0094675.0 [2,0,0,0,0,0|0,0,2]=4 249 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.4 CC(C)C=CC=O CNP0003528.0 [2,0,0,0,0,0|0,0,2]=4 257 B6R0.4 CC(C)CCC#N CNP0386277.0 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.4 CC(C)CCC=O CNP0198082.0 [2,0,0,0,0,0|0,0,0]=2 259 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|0,0,2]=4 260 B6R0.4 CC(C)CNC=O CNP0473867.0 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.4 CC(C)COC=O CNP0232692.0 [2,0,0,0,0,0|0,0,0]=2 262 B6R0.4 CC(C)CON=O CNP0224607.0 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 CC=CCC(C)C CNP0081831.0 [2,0,0,0,0,0|0,0,1]=3 264 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,2]=4 266 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 267 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,0]=2 268 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 269 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|0,0,1]=3 271 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,2]=4 273 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,2]=4 274 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|0,0,0]=2 276 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|0,1,0]=3 277 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|0,1,1]=4 284 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.4 CNCCC(C)C CNP0254439.0 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.4 COCC=C(C)C CNP0493784.0 [2,0,0,0,0,0|0,0,2]=4 287 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|0,0,0]=2 288 B6R0.4 COCCN(C)C CNP0429553.0 [2,0,0,0,0,0|1,0,0]=3 289 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [2,0,0,0,0,0|1,1,0]=4 293 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 294 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|0,0,1]=3 302 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|2,0,0]=4 311 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|2,0,0]=4 313 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|0,0,0]=2 315 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|1,1,0]=4 317 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [1,1,0,0,0,0|1,0,0]=3 323 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|0,0,0]=2 332 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|2,0,0]=4 333 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|0,0,2]=4 334 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,1,0,0,0,0|0,0,1]=3 337 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|1,0,0]=3 341 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,0]=3 345 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,0]=3 346 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|0,0,0]=2 348 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,1,0,0,0,0|0,0,2]=4 349 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,1,0,0,0,0|0,0,1]=3 353 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,1,0,0,0,0|1,0,0]=3 357 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|2,0,0]=4 365 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|2,0,0]=4 370 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|0,0,0]=2 372 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,1,0,0,0,0|1,0,0]=3 373 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|1,0,0]=3 375 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,1,0,0,0,0|0,0,0]=2 377 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|0,0,0]=2 378 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,1,0,0,0,0|2,0,0]=4 379 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,1,0,0,0,0|2,0,0]=4 381 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [1,1,0,0,0,0|2,0,0]=4 383 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,0]=3 385 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|2,0,0]=4 386 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [1,1,0,0,0,0|2,0,0]=4 390 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,1,0,0,0,0|2,0,0]=4 393 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [1,1,0,0,0,0|2,0,0]=4 396 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [1,1,0,0,0,0|1,0,0]=3 397 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [1,1,0,0,0,0|1,0,0]=3 398 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,1,0,0,0,0|0,0,2]=4 399 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,1,0,0,0,0|0,0,1]=3 402 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,1,0,0,0,0|1,0,0]=3 404 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,1,0,0,0,0|1,0,1]=4 405 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,1,0,0,0,0|0,0,0]=2 407 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,1,0,0,0,0|2,0,0]=4 408 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,1,0,0,0,0|2,0,0]=4 409 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,1,0,0,0,0|0,0,0]=2 410 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|2,0,0]=4 411 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|2,0,0]=4 412 B8R0.21 CC(C)(S)CCOC=O CNP0002927.0 [1,1,0,0,0,0|0,0,0]=2 413 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [1,1,0,0,0,0|1,0,0]=3 415 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [1,1,0,0,0,0|1,0,0]=3 416 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,1,0|1,0,1]=4 418 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,1,0|0,0,1]=3 419 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,1,0|0,0,0]=2 420 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,1,0|0,0,2]=4 421 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,1,0|0,0,1]=3 422 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,0,0,1,0|1,0,1]=4 423 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,1,0|0,0,0]=2 424 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,1,0|1,0,1]=4 425 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,1,0|1,0,1]=4 426 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,1,0|1,0,1]=4 427 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,0,0,1,0|1,0,0]=3 428 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,1,0|1,0,0]=3 429 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,1,0|1,0,0]=3 430 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,1,0,0,1,0|1,0,1]=4 431 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,0,0,1,0|1,0,0]=3 432 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,1,0|1,0,0]=3 433 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,1,0|1,0,0]=3 434 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,1,0|1,0,0]=3 435 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,1,0|1,0,0]=3 436 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,1,0|2,0,0]=4 437 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,0,0,1,0|2,0,0]=4 438 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,0,0,1,0|2,0,0]=4 439 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,0,0,1,0|2,0,0]=4 440 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,0,0,1,0|2,0,0]=4 441 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,0,0,1,0|2,0,0]=4 442 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,0,0,1,0|2,0,0]=4 443 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,0,0,1,0|0,0,2]=4 444 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,0,0,1,0|2,0,0]=4 445 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [0,1,0,0,1,0|2,0,0]=4 446 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [0,1,0,0,1,0|2,0,0]=4 447 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,1,0,0,0,1|1,0,1]=4 448 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,1|2,0,0]=4 449 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,1,0,0,0,1|1,0,0]=3 450 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,1,0,0,0,1|1,0,1]=4 451 B10R0.96 CC(=O)OCC(C)OC(=O)C CNP0403199.0 [0,1,0,0,0,1|1,0,1]=4 452 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,1,0,0,0,1|0,0,0]=2 453 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,1,0,0,0,1|2,0,0]=4 454 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,1,0,0,0,1|2,0,0]=4 455 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,1,0,0,0,1|1,0,1]=4 456 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,1,0,0,0,1|0,0,2]=4 457 B10R0.3 C=C(C)CCC[C@@H](C)CC=O CNP0306667.1 [0,2,0,0,0,0|2,0,0]=4 458 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,2,0,0,0,0|2,0,0]=4 459 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,2,0,0,0,0|2,0,0]=4 460 B10R0.3 C=C(C)CCC[C@H](C)CC=O CNP0306667.2 [0,2,0,0,0,0|2,0,0]=4 461 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,2,0,0,0,0|2,0,0]=4 462 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,2,0,0,0,0|2,0,0]=4 463 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,2,0,0,0,0|0,0,2]=4 464 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,2,0,0,0,0|2,0,0]=4 465 B10R0.3 C=CCC(C)CCC=C(C)C CNP0086074.0 [0,2,0,0,0,0|2,0,0]=4 466 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [0,2,0,0,0,0|2,0,0]=4 467 B10R0.3 CC(=CCC[C@@H](C)CCO)C CNP0152105.1 [0,2,0,0,0,0|2,0,0]=4 468 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [0,2,0,0,0,0|2,0,0]=4 469 B10R0.3 CC(=CCC[C@H](C)CCO)C CNP0152105.2 [0,2,0,0,0,0|2,0,0]=4 470 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,2,0,0,0,0|1,0,1]=4 471 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|0,0,0]=2 472 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,2,0,0,0,0|1,0,0]=3 473 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|1,0,0]=3 474 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|2,0,0]=4 475 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|1,0,0]=3 476 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,2,0,0,0,0|1,0,0]=3 477 B10R0.57 CC(=CC[C@@H](C)[C@@H](C)CO)C CNP0337818.2 [0,2,0,0,0,0|2,0,0]=4 478 B10R0.57 CC(=CC[C@@H](C)[C@H](C)CO)C CNP0337818.1 [0,2,0,0,0,0|2,0,0]=4 479 B10R0.57 CC(=CC[C@H](C)[C@H](C)CO)C CNP0337818.3 [0,2,0,0,0,0|2,0,0]=4 480 B10R0.59 CCC(C)CCCC(C)C=O CNP0002769.0 [0,2,0,0,0,0|1,0,1]=4 481 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [0,2,0,0,0,0|2,0,0]=4 482 B10R0.60 C=CC(=CCCC(C)(C)O)C CNP0197999.0 [0,2,0,0,0,0|2,0,0]=4 483 B10R0.60 CCC(=O)OCC[N+](C)(C)C CNP0582310.0 [0,2,0,0,0,0|1,0,0]=3 484 B10R0.65 C=C(C)CCCC(C)(O)CC CNP0076879.0 [0,2,0,0,0,0|2,0,0]=4 485 B10R0.65 C=CC(C)(C)CC=CC(=O)C CNP0409777.0 [0,2,0,0,0,0|1,0,1]=4 486 B10R0.65 C=CC(C)(C)CCC=C(C)C CNP0174844.0 [0,2,0,0,0,0|2,0,0]=4 487 B10R0.65 CCC(C)(O)CCC=C(C)C CNP0080062.0 [0,2,0,0,0,0|2,0,0]=4 488 B10R0.12 CC(=O)NC[C@H](O)C(C)(C)O CNP0281722.1 [0,2,0,0,0,0|1,0,0]=3 489 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,2,0,0,0,0|0,0,1]=3 490 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,2,0,0,0,0|1,0,1]=4 491 B10R0.13 CC(C)C[C@@H](N)[C@@H](O)C(=O)O CNP0167620.1 [0,2,0,0,0,0|2,0,0]=4 492 B10R0.13 CC(C)C[C@@H](N)[C@H](O)C(=O)O CNP0167620.2 [0,2,0,0,0,0|2,0,0]=4 493 B10R0.13 CC(C)C[C@H](N)[C@@H](O)C(=O)O CNP0167620.4 [0,2,0,0,0,0|2,0,0]=4 494 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O CNP0167620.3 [0,2,0,0,0,0|2,0,0]=4 495 B10R0.43 CC(C)CC[C@@](C)(N)C(=O)O CNP0574923.1 [0,2,0,0,0,0|2,0,0]=4 496 B10R0.43 CC(C)CC[C@](C)(N)C(=O)O CNP0574923.2 [0,2,0,0,0,0|2,0,0]=4 497 B10R0.84 CC(=O)CCC(C=O)C(C)C CNP0611984.0 [0,2,0,0,0,0|1,0,0]=3 498 B10R0.84 CC[C@H](/C=C/C(=O)C)C(C)C CNP0230177.1 [0,2,0,0,0,0|1,0,1]=4 499 B10R0.31 CC(=O)C=C(C)CC(C)(C)O CNP0396167.0 [0,2,0,0,0,0|1,0,1]=4 500 B10R0.31 CC(=O)O[C@@H](C)C[N+](C)(C)C CNP0504728.1 [0,2,0,0,0,0|1,0,0]=3 501 B10R0.31 CC(=O)O[C@H](C)C[N+](C)(C)C CNP0504728.2 [0,2,0,0,0,0|1,0,0]=3 502 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CNP0569301.1 [0,2,0,0,0,0|2,0,0]=4 503 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CNP0569301.2 [0,2,0,0,0,0|2,0,0]=4 504 B10R0.70 CC(=O)C[C@@H](C#N)CC(C)C CNP0195337.1 [0,2,0,0,0,0|1,0,0]=3 505 B10R0.70 CC(=O)NC(CO)CC(C)C CNP0182261.0 [0,2,0,0,0,0|1,0,0]=3 506 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O CNP0034778.2 [0,2,0,0,0,0|2,0,0]=4 507 B10R0.70 CC(C)C[C@H](CN)CC(=O)O CNP0034778.1 [0,2,0,0,0,0|2,0,0]=4 508 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,1]=4 510 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,1]=4 511 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 512 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,0]=2 514 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 515 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 518 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|1,0,1]=4 522 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,0]=2 523 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 524 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,1]=4 526 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|2,0,0]=4 529 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [1,0,0,1,0,0|0,0,2]=4 530 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|2,0,0]=4 535 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 538 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|1,0,0]=3 541 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 542 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|0,0,0]=2 543 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 544 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 545 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|2,0,0]=4 548 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,0,0,1,0,0|1,0,1]=4 549 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,1,0|0,0,2]=4 550 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,1,0|0,0,0]=2 551 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,1,0|1,0,0]=3 552 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,0,0,1,1,0|2,0,0]=4 553 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,1,0|1,0,0]=3 554 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,0,0,1,1,0|0,1,1]=4 555 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,0,0,1,1,0|1,0,1]=4 556 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,0,1,1,0|0,0,2]=4 557 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,0,0,1,1,0|1,0,1]=4 558 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,1,0|1,0,1]=4 559 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,1,0|1,0,1]=4 560 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,1,0|0,0,2]=4 561 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,1,0|0,0,0]=2 562 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,1,0|1,0,0]=3 563 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,0,0,1,1,0|0,0,2]=4 564 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,0,0,1,1,0|1,0,1]=4 565 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,1,0|2,0,0]=4 566 B10R1.54 C=C(C)CC1CCC(C1)C CNP0211538.0 [0,0,0,1,0,1|2,0,0]=4 567 B10R1.54 CC(=CC1CCC(C1)C)C CNP0182372.0 [0,0,0,1,0,1|2,0,0]=4 568 B10R1.54 CC(=O)O[C@H]1CNC(=O)C1 CNP0109144.1 [0,0,0,1,0,1|1,0,1]=4 569 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,0,0,1,0,1|2,0,0]=4 570 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,0,0,1,0,1|1,0,0]=3 571 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,0,0,1,0,1|0,0,1]=3 572 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,0,0,1,0,1|2,0,0]=4 573 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,0,0,1,0,1|2,0,0]=4 574 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,0,0,1,0,1|2,0,0]=4 575 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,0,0,1,0,1|2,0,0]=4 576 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C CNP0482210.1 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.352 C=C(C)/C=C/[C@H]1CC1(C)C CNP0108510.2 [0,0,0,1,0,1|2,0,0]=4 578 B10R1.352 C=C(C)/C=C\[C@H]1CC1(C)C CNP0108510.1 [0,0,0,1,0,1|2,0,0]=4 579 B10R1.13 C=C(C)C1=CC[C@@H](CC1)C CNP0206542.2 [0,1,0,1,0,0|2,0,0]=4 580 B10R1.13 C=C(C)C1=CC[C@H](CC1)C CNP0206542.1 [0,1,0,1,0,0|2,0,0]=4 581 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,1,0,1,0,0|2,0,0]=4 586 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,1,0,1,0,0|1,0,1]=4 587 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,1,0,1,0,0|1,0,1]=4 588 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,1,0,1,0,0|1,0,1]=4 591 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,1,0,1,0,0|1,0,1]=4 592 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,1,0,1,0,0|2,0,0]=4 594 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,1,0,1,0,0|2,0,0]=4 599 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [0,1,0,1,0,0|1,0,1]=4 600 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,1,0,1,0,0|1,0,1]=4 601 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|1,0,0]=3 602 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.301 CC1=CCCC(C1=O)(C)C CNP0037494.0 [0,1,0,1,0,0|1,0,0]=3 604 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [0,1,0,1,0,0|1,0,1]=4 605 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [0,1,0,1,0,0|1,0,1]=4 606 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,1,0,0|1,0,1]=4 607 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,1,0,1,0,0|1,0,1]=4 608 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,1,0,1,0,0|1,0,1]=4 609 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|1,0,0]=3 611 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,1,0,1,0,0|0,0,2]=4 612 B10R1.329 CC1(CC(=O)C=C(C1)O)C CNP0462432.0 [0,1,0,1,0,0|1,0,1]=4 613 B10R1.329 CC1(CC(=O)CC(=O)C1)C CNP0566053.0 [0,1,0,1,0,0|1,0,1]=4 614 B10R1.329 CC1=CC(=O)CC(C1)(C)C CNP0196251.0 [0,1,0,1,0,0|1,0,1]=4 615 B10R1.329 CC1=C[C@@H](CC(C1)(C)C)O CNP0077291.2 [0,1,0,1,0,0|2,0,0]=4 616 B10R1.329 CC1=C[C@H](CC(C1)(C)C)O CNP0077291.1 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,1,0,1,0,0|1,0,0]=3 618 B10R1.329 C[C@@]1(CC(=O)O[C@H](C1)O)O CNP0293170.1 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 CNP0274649.1 [0,1,0,1,0,0|1,0,0]=3 620 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4 621 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,2,0|0,0,2]=4 622 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,2,0|1,0,1]=4 623 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,2,0|0,0,2]=4 624 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,2,0|1,0,1]=4 625 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,2,0|0,0,2]=4 626 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,2,0|1,0,1]=4 627 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,2,0|0,0,0]=2 628 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,2,0|1,0,0]=3 629 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,2,0|1,0,0]=3 630 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,2,0|1,0,1]=4 631 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,2,0|0,0,0]=2 632 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,2,0|0,1,0]=3 633 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,2,0|1,0,0]=3 634 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,0,0,2,0|1,0,1]=4 635 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,2,0|0,0,2]=4 636 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,2,0|1,0,1]=4 637 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,0,0,2,0|1,0,1]=4 638 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,0,0,2,0|1,0,1]=4 639 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,2,0|2,0,0]=4 640 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,2,0|2,0,0]=4 641 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,2,0|2,0,0]=4 642 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,2,0|2,0,0]=4 643 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,2,0|2,0,0]=4 644 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,2,0|2,0,0]=4 645 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,2,0|2,0,0]=4 646 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,2,0|2,0,0]=4 647 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,2,0|2,0,0]=4 648 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,2,0|1,0,0]=3 649 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,2,0|1,0,1]=4 650 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,2,0|2,0,0]=4 651 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,2,0|2,0,0]=4 652 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,0,0,0,0,2|1,0,0]=3 653 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,0,0,0,0,2|1,0,1]=4 654 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,0,0,0,0,2|2,0,0]=4