0 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,0,0,0,0,0|1,1,0]=2 11 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,0,0,0,0,0|2,1,1]=4 14 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,0,0,0,0,0|2,1,1]=4 15 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,0,0,0,0,0|1,2,1]=4 16 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,0,0,0,0,0|2,1,1]=4 17 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,0,0,0,0,0|1,2,1]=4 19 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,0,0,0,0,0|0,0,0]=0 23 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,0,0,0,0,0|2,1,0]=4 38 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,0,0,0,0|1,1,1]=4 40 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,0,0,0,0|1,1,0]=3 42 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,0,0,0,0|1,1,0]=3 44 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,0,0,0,0|0,1,1]=3 51 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,0,0,0,0|0,0,0]=1 52 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,0,0,0,0|0,1,0]=2 57 B6R0.1 CCSC(S)CC CNP0488688.0 [1,0,0,0,0,0|0,2,1]=4 58 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,0,0,0,0|1,1,1]=4 59 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,0,0,0,0|1,1,1]=4 60 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.1 COC(=O)C#CBr CNP0419364.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,0,0,0,0,0|1,1,1]=4 65 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,0,0,0,0,0|0,1,1]=3 66 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,0,0,0,0|1,1,1]=4 69 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.6 CCC=CCC#N CNP0106706.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|1,1,1]=4 72 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|1,1,0]=3 74 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|1,1,1]=4 75 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|1,1,1]=4 78 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|1,1,1]=4 80 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|2,1,0]=4 83 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|2,1,0]=4 85 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|0,1,1]=3 86 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|0,0,1]=2 87 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|0,2,1]=4 88 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,0,0,0,0|0,1,0]=2 97 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|0,1,0]=2 98 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,1,0,0,0,0|1,1,1]=4 110 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,1,0,0,0,0|0,1,1]=3 112 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,1,0,0,0,0|0,1,0]=2 114 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,1,0,0,0,0|0,0,0]=1 115 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,1,0,0,0,0|0,1,0]=2 117 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,0|1,1,1]=4 120 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,0|1,1,1]=4 121 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,0|0,1,1]=3 127 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,0|0,1,1]=3 128 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,0|0,1,1]=3 129 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,1,0,0,0,0|0,0,0]=1 131 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,1,0,0,0,0|0,1,0]=2 133 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,1,0,0,0,0|0,1,0]=2 134 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,1,0,0,0,0|1,1,1]=4 137 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,1,0,0,0,0|2,1,0]=4 138 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,0|1,1,1]=4 147 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,1,0,0|2,1,0]=4 151 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,0|2,1,0]=4 161 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,1,0,0|1,1,1]=4 162 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,0|0,1,2]=4 163 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,0,0,1,0,0|1,1,1]=4 166 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,0,0,1,0,0|0,1,2]=4 176 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,0,0,1,0,0|0,1,2]=4 182 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,0,0,1,0,0|0,1,2]=4 184 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,1,0,0|0,1,1]=3 185 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|2,0,1]=4 193 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|1,1,0]=4 196 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|0,0,2]=4 200 B5R0.1 CC(=CCS)C CNP0262600.0 [2,0,0,0,0,0|1,0,1]=4 201 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|0,1,0]=3 202 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|0,0,0]=2 203 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|0,0,2]=4 206 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|0,1,1]=4 207 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 211 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,0]=3 214 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|1,0,1]=4 215 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|0,0,0]=2 217 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|1,0,0]=3 218 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|0,1,0]=3 219 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|0,0,0]=2 221 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|0,1,0]=3 222 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|0,1,0]=3 237 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|0,0,0]=2 238 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,1,0]=4 239 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|0,1,1]=4 240 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,1,1]=4 243 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,1,1]=4 244 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.2 CCC=NNC CNP0543863.0 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,1,1]=4 251 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,0,1]=3 252 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,1,1]=4 254 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,1,0]=4 256 B5R0.2 CCOCC#N CNP0184632.0 [2,0,0,0,0,0|1,0,1]=4 257 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|0,1,0]=3 258 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,1,0]=4 259 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|1,1,0]=4 260 B5R0.3 C#CC(=O)OC CNP0572702.0 [2,0,0,0,0,0|0,0,2]=4 261 B5R0.3 C=CC(=O)CC CNP0362181.0 [2,0,0,0,0,0|0,0,2]=4 262 B5R0.3 C=CC(=O)OC CNP0217866.0 [2,0,0,0,0,0|0,0,2]=4 263 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|1,0,1]=4 264 B5R0.3 CCC(=CS)C CNP0025997.0 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|0,1,1]=4 266 B5R0.3 CCC(=O)CC CNP0270305.0 [2,0,0,0,0,0|0,0,0]=2 267 B5R0.3 CCC(=O)CO CNP0165007.0 [2,0,0,0,0,0|0,1,0]=3 268 B5R0.3 CCC(=O)NN CNP0281170.0 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.3 CCC(=O)OC CNP0166631.0 [2,0,0,0,0,0|0,0,0]=2 270 B5R0.3 CCC(=O)SC CNP0240172.0 [2,0,0,0,0,0|0,1,0]=3 271 B5R0.3 CCC(C)CC CNP0316485.0 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.3 CCC(C)CS CNP0003009.0 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.3 CCC(N)CC CNP0103985.0 [2,0,0,0,0,0|1,0,1]=4 274 B5R0.3 CCC(O)CC CNP0293075.0 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.3 CCC(S)CS CNP0197461.0 [2,0,0,0,0,0|0,1,1]=4 276 B5R0.3 CC[S+](C)CC CNP0038064.0 [2,0,0,0,0,0|2,0,0]=4 277 B5R0.3 CC[S](C)CC CNP0523180.0 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.3 CNC(=O)NC CNP0028412.0 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.3 CNC(=O)OC CNP0483114.0 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.3 COC(=O)CI CNP0017842.0 [2,0,0,0,0,0|1,0,0]=3 281 B5R0.3 COC(=O)NN CNP0033099.0 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.3 O=C(CBr)CBr CNP0132836.0 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.3 O=C(CBr)CI CNP0145168.0 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.3 O=C(CCl)CBr CNP0149884.0 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.3 O=C(CCl)CCl CNP0301990.0 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.3 O=C(CCl)CI CNP0408833.0 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.3 O=C(CO)CCl CNP0281226.0 [2,0,0,0,0,0|1,1,0]=4 288 B5R0.3 O=C(CO)CO CNP0303926.0 [2,0,0,0,0,0|1,1,0]=4 289 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [2,0,0,0,0,0|1,1,0]=4 290 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,1,1]=4 292 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|0,0,0]=2 295 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|0,1,1]=4 296 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|0,1,1]=4 297 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|0,0,0]=2 299 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|1,0,0]=3 301 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|0,1,0]=3 302 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|2,0,0]=4 304 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|1,1,0]=4 305 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,1,0,0,0,0|0,0,2]=4 307 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|1,0,0]=3 308 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,1,0,0,0,0|0,1,1]=4 309 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|0,0,0]=2 310 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|0,0,0]=2 311 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,0]=3 314 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|1,0,0]=3 315 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|0,0,0]=2 316 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,1,0,0,0,0|1,0,0]=3 319 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|0,1,0]=3 320 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|0,0,0]=2 321 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,1,0,0,0,0|0,0,1]=3 322 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,1,0,0,0,0|1,1,0]=4 323 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,1,0,0,0,0|0,0,2]=4 324 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,1,0,0,0,0|0,0,2]=4 325 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|0,1,1]=4 326 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,1,0,0,0,0|1,0,0]=3 328 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|1,0,0]=3 329 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|0,0,1]=3 331 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,1,0,0,0,0|0,0,0]=2 333 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,1,0,0,0,0|0,0,0]=2 334 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,1,0,0,0,0|0,0,0]=2 336 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,1,0,0,0,0|0,1,0]=3 337 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,1,0,0,0,0|1,0,0]=3 338 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,1,0,0,0,0|0,0,0]=2 339 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|1,0,0]=3 346 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|0,1,0]=3 349 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,1,0,0,0,0|0,1,0]=3 350 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,1,0,0,0,0|0,0,0]=2 351 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,1,0,0,0,0|0,1,0]=3 352 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [1,1,0,0,0,0|0,1,1]=4 353 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,1,0,0,0,0|0,0,0]=2 354 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,1,0,0,0,0|0,1,0]=3 355 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,1,0,0,0,0|1,1,0]=4 356 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,1,0,0,0,0|1,1,0]=4 357 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.12 CCC=C(CC)CC CNP0530661.0 [1,1,0,0,0,0|2,0,0]=4 359 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|1,1,0]=4 360 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|2,0,0]=4 361 B7R0.1 CCC=CCCCO CNP0003503.0 [1,1,0,0,0,0|1,1,0]=4 362 B7R0.1 CCCC=CCCC CNP0541880.0 [1,1,0,0,0,0|2,0,0]=4 363 B7R0.1 CCCC=CCCO CNP0287313.0 [1,1,0,0,0,0|1,1,0]=4 364 B7R0.1 CCCCCOCC CNP0520137.0 [1,1,0,0,0,0|1,0,1]=4 365 B7R0.1 CCCCOCCO CNP0080154.0 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.1 NCCCNCCS CNP0050642.0 [1,1,0,0,0,0|2,0,0]=4 367 B7R0.1 OCCCCCCS CNP0154751.0 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.1 SCCCCCCS CNP0089642.0 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|0,0,2]=4 370 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|1,1,0]=4 371 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|1,1,0]=4 372 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|1,1,0]=4 373 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|1,0,1]=4 376 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,2,0,0,0,0|1,0,0]=3 378 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,2,0,0,0,0|0,1,1]=4 379 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,2,0,0,0,0|1,1,0]=4 384 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|2,0,0]=4 386 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|1,1,0]=4 387 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,2,0,0,0,0|0,0,0]=2 391 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,2,0,0,0,0|0,1,0]=3 392 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,2,0,0,0,0|1,1,0]=4 394 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|1,0,1]=4 395 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,2,0,0,0,0|0,1,1]=4 396 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,2,0,0,0,0|1,0,0]=3 400 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,2,0,0,0,0|0,0,0]=2 401 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,2,0,0,0,0|0,1,0]=3 402 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,2,0,0,0,0|1,0,0]=3 403 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [0,2,0,0,0,0|1,0,1]=4 405 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,2,0,0,0,0|1,0,0]=3 406 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|1,0,0]=3 410 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,2,0,0,0,0|1,0,1]=4 411 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,2,0,0,0,0|1,0,0]=3 412 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|1,1,0]=4 414 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|1,0,1]=4 415 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|1,0,0]=3 417 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,2,0,0,0,0|1,0,1]=4 418 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|0,1,0]=3 419 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,2,0,0,0,0|0,1,0]=3 420 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|0,1,0]=3 421 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,2,0,0,0,0|0,1,0]=3 423 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,2,0,0,0,0|0,0,1]=3 424 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,2,0,0,0,0|0,1,1]=4 425 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,2,0,0,0,0|0,1,1]=4 427 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,2,0,0,0,0|0,0,0]=2 428 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,2,0,0,0,0|1,0,0]=3 429 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,2,0,0,0,0|2,0,0]=4 432 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.27 CCC(C)C(=O)C(C)CC CNP0499224.0 [0,2,0,0,0,0|2,0,0]=4 435 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.37 CCOC(=O)C(CC)CC CNP0165107.0 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.37 CCOC(=O)[C@@H](CC)NC CNP0599736.1 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.37 CCOC(=O)[C@H](CC)NC CNP0599736.2 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.44 CC(C)(C)OC(=O)CC#N CNP0077096.0 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,2,0,0,0,0|0,1,0]=3 441 B9R0.44 CCOC(=O)CS(=O)(=O)Cl CNP0190677.0 [0,2,0,0,0,0|1,1,0]=4 442 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,2,0,0,0,0|1,0,0]=3 444 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [0,2,0,0,0,0|1,1,0]=4 445 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|0,0,2]=4 447 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|1,0,1]=4 448 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,2]=4 449 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,2]=4 452 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,0]=3 454 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,0]=2 457 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,0]=3 459 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,0]=2 460 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,0]=3 461 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|0,1,1]=4 462 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|1,1,0]=4 464 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|1,1,0]=4 465 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|1,1,0]=4 466 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|0,1,0]=3 467 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|1,1,0]=4 468 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|0,1,0]=3 469 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 472 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 473 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 475 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 476 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 479 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|1,0,0]=3 480 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|1,1,0]=4 481 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,1]=4 482 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 484 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|0,0,2]=4 485 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [1,0,0,1,0,0|0,1,1]=4 487 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|1,0,1]=4 488 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|0,0,2]=4 489 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.4 CC1OCCC1S CNP0002942.0 [1,0,0,1,0,0|1,0,1]=4 491 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|0,0,0]=2 492 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|0,0,2]=4 493 B7R1.4 CC1SCCC1S CNP0002610.0 [1,0,0,1,0,0|0,1,1]=4 494 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,0,0,1,0,0|1,1,0]=4 496 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|1,0,0]=3 497 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,0]=2 498 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|0,1,0]=3 499 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,0]=2 501 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|0,1,0]=3 502 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|1,1,0]=4 505 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|1,1,0]=4 507 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [1,0,0,1,0,0|0,0,0]=2 510 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,1,0,0|0,1,0]=3 514 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [0,1,0,1,0,0|0,1,1]=4 515 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,1,0,1,0,0|0,1,0]=3 517 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,1,0,1,0,0|0,1,1]=4 518 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.27 CCN1C(=O)CCC1=O CNP0304586.0 [0,1,0,1,0,0|1,1,0]=4 520 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,1,0,1,0,0|1,1,0]=4 521 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|1,1,0]=4 522 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|1,1,0]=4 523 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|1,0,1]=4 528 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,1,0,1,0,0|1,0,1]=4 531 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|0,1,1]=4 536 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|0,1,1]=4 538 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|0,1,1]=4 539 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|0,1,0]=3 540 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,1,0,1,0,0|0,1,0]=3 541 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|1,1,0]=4 543 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|1,1,0]=4 544 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|1,1,0]=4 545 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|1,1,0]=4 546 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|1,1,0]=4 547 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,1,0,0|0,1,1]=4 551 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,1,0,1,0,0|1,1,0]=4 553 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|0,1,0]=3 554 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|0,1,0]=3 555 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [0,1,0,1,0,0|1,1,0]=4 560 B9R1.202 COC1(SCCC1=O)C CNP0064868.0 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [0,1,0,1,0,0|0,1,0]=3 562 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,1,0,0|0,1,1]=4 563 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,1,0,0|0,1,0]=3 564 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,1,0,0|0,1,0]=3 565 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,1,0,1,0,0|0,1,0]=3 566 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,1,0,1,0,0|0,1,1]=4 567 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|0,1,0]=3 570 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|0,1,0]=3 571 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,1,0,1,0,0|2,0,0]=4 572 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|2,0,0]=4 573 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|1,1,0]=4 574 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|2,0,0]=4 575 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,2,0,0|1,1,0]=4 576 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,2,0,0|1,1,0]=4 577 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,2,0,0|1,0,0]=3