0 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C=CCC(C)C CNP0293683.0 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 C=CCC(C)O CNP0594112.0 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C=COC(C)C CNP0491165.0 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,0,0,0,0,0|0,0,4]=4 12 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,0,0,0,0,0|1,0,3]=4 13 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CC(C)C=CO CNP0546358.0 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.1 CC(C)C=NO CNP0180575.0 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 CC(C)CC#N CNP0003467.0 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.1 CC(C)CC=O CNP0200023.0 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.1 CC(C)CCN CNP0107663.0 [0,0,0,0,0,0|0,0,0]=0 23 B5R0.1 CC(C)CCO CNP0115711.0 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.1 CC(C)CCS CNP0222694.0 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 CC(C)CNO CNP0343206.0 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CC(C)OC=O CNP0079775.0 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 CC(C)ON=N CNP0504626.0 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CC(S)CCS CNP0003105.0 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 CC=CC(C)C CNP0513218.0 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.1 CC=CC(C)O CNP0150168.0 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.1 CCCC(O)O CNP0076336.0 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.1 CCCS(=S)O CNP0558357.0 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CCOC(C)C CNP0604172.0 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CCSC(C)C CNP0254931.0 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.1 CCSC(C)S CNP0579398.0 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.1 CN(C)CC#N CNP0084986.0 [0,0,0,0,0,0|1,0,2]=3 54 B5R0.1 CN(C)CCCl CNP0328789.0 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 CN(C)CCO CNP0230038.0 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.1 CN=CC(C)C CNP0149349.0 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CNCC(C)C CNP0273998.0 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 COCC(C)C CNP0528468.0 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CSCC(C)C CNP0405087.0 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 CSSC(C)C CNP0267830.0 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,0,0,0,0,0|4,0,0]=4 69 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.1 NCCP(=O)O CNP0498602.0 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,0,0,0,0,0|3,0,0]=3 72 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.1 NCNC(=O)N CNP0046326.0 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 NOCC(=O)O CNP0293826.0 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,0,0,0,0,0|4,0,0]=4 78 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|0,0,2]=3 80 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|0,0,2]=3 82 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|0,0,0]=1 94 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|0,0,2]=3 101 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,0]=1 112 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,0]=2 116 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,0]=2 138 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|3,0,0]=4 146 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|1,0,2]=4 148 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|0,0,2]=3 151 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,0]=2 165 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,0]=2 166 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|0,0,0]=1 167 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|1,0,0]=2 168 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|1,0,0]=2 169 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|3,0,0]=4 181 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|1,0,0]=2 182 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|3,0,0]=4 189 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|1,0,1]=3 190 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,1]=3 191 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|1,0,0]=2 192 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,0]=2 193 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,0,0]=2 194 B4R0.2 NOCON CNP0531529.0 [1,0,0,0,0,0|3,0,0]=4 195 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|1,0,2]=4 205 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|1,0,2]=4 207 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,1]=3 244 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,1,0,0,0,0|0,0,3]=4 250 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,1,0,0,0,0|1,0,2]=4 251 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,0,0,0,0|0,0,1]=2 258 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,1,0,0,0,0|1,0,0]=2 259 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,1,0,0,0,0|0,0,0]=1 261 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,1,0,0,0,0|1,0,1]=3 267 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,0,0,0,0|1,0,1]=3 272 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,1,0,0,0,0|3,0,0]=4 274 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|1,0,2]=4 284 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|1,0,2]=4 285 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|0,0,3]=4 287 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|0,0,2]=3 293 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|2,0,0]=3 305 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|3,0,0]=4 309 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|1,0,0]=2 313 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|2,0,0]=3 323 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|1,0,1]=3 334 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|0,0,1]=2 336 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|1,0,1]=3 337 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|1,0,1]=3 343 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,1,0,0,0,0|1,0,1]=3 346 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,1,0,0,0,0|0,0,2]=3 347 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,1,0,0,0,0|0,0,1]=2 348 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|1,0,0]=2 349 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,1,0,0,0,0|1,0,1]=3 351 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,1,0,0,0,0|1,0,1]=3 352 B6R0.4 CC(C)COC=O CNP0232692.0 [0,1,0,0,0,0|1,0,1]=3 353 B6R0.4 CC(C)CON=O CNP0224607.0 [0,1,0,0,0,0|1,0,1]=3 354 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,1,0,0,0,0|0,0,2]=3 355 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|0,0,0]=1 356 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,0,0,0,0|1,0,0]=2 357 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|1,0,0]=2 358 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|1,0,0]=2 363 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|1,0,0]=2 369 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,0,0,0,0|2,0,0]=3 370 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|1,0,0]=2 372 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|1,0,0]=2 374 B6R0.4 CCSSC(C)C CNP0003135.0 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|0,0,0]=1 377 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,0,0,0,0|1,0,2]=4 378 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|1,0,0]=2 379 B6R0.4 COCCN(C)C CNP0429553.0 [0,1,0,0,0,0|2,0,0]=3 380 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,1,0,0,0,0|2,0,0]=3 384 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,1,0,0,0,0|3,0,0]=4 387 B6R0.4 NCCOB(O)O CNP0548675.0 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.4 NCCOP(O)O CNP0382987.0 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,1,0,0,0,0|2,0,0]=3 391 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,1,0,0,0,0|1,0,0]=2 392 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,1,0,0,0,0|1,0,2]=4 393 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,1,0,0,0,0|1,0,0]=2 394 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,0,0,0,0|1,0,0]=2 395 B6R0.5 CCCC(O)(O)O CNP0084720.0 [0,1,0,0,0,0|3,0,0]=4 396 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,1,0,0,0,0|2,0,0]=3 401 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,1,0,0,0,0|2,0,1]=4 402 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,1,0,0,0,0|2,0,0]=3 403 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,1,0,0,0,0|2,0,0]=3 404 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,1,0,0,0,0|2,0,0]=3 407 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,1,0,0,0,0|2,0,0]=3 408 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [0,1,0,0,0,0|3,0,0]=4 410 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,1,0,0,0,0|3,0,0]=4 411 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,1,0,0,0,0|3,0,0]=4 412 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|1,0,2]=4 413 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|1,0,2]=4 414 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|1,0,2]=4 415 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|1,0,2]=4 416 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|2,0,1]=4 417 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|1,0,2]=4 418 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|2,0,1]=4 419 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|1,0,0]=2 420 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|2,0,0]=3 421 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|3,0,0]=4 422 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|3,0,0]=4 423 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,1,0,0|2,0,1]=4 424 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|2,0,0]=3 425 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|0,0,2]=3 426 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,0]=3 427 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|1,0,0]=2 428 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|3,0,0]=4 429 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|2,0,1]=4 430 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,1,0,0|3,0,0]=4 431 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|2,0,1]=4 432 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|2,0,1]=4 433 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|2,0,1]=4 434 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,0,1]=4 435 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|2,0,0]=3 436 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,1,0,0|3,0,0]=4 437 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|2,0,0]=3 438 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|2,0,0]=3 439 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|3,0,0]=4 440 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|1,0,0]=2 441 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,0,0,1,0,0|1,0,2]=4 442 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,0,0,1,0,0|1,0,2]=4 443 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,0,1,0,0|1,0,0]=2 444 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,0,0,1,0,0|2,0,1]=4 445 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,1,0,0|2,0,1]=4 446 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|1,0,0]=2 447 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|2,0,1]=4 448 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,0,0,1,0,0|1,0,0]=2 449 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,0,0,1,0,0|1,0,0]=2 450 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,0,0,1,0,0|1,0,0]=2 451 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 452 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 453 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 454 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 455 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,2]=4 456 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|0,0,2]=4 457 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 458 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 459 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|0,0,2]=4 460 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|1,0,1]=4 461 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|1,0,1]=4 462 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 463 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,0]=2 464 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 465 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|0,0,0]=2 466 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|1,0,0]=3 467 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|1,0,0]=3 468 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|2,0,0]=4 469 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 470 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,0]=3 471 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|2,0,0]=4 472 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,0]=3 473 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|2,0,0]=4 474 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 475 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 476 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 477 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 478 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 479 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 480 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|1,0,1]=4 481 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,1]=4 482 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|1,0,0]=3 483 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,0]=3 484 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,0,0]=3 485 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,0]=3 486 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|2,0,0]=4 487 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|2,0,0]=4 488 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|2,0,0]=4 489 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|2,0,0]=4 490 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|2,0,0]=4 491 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,2]=4 492 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|1,0,1]=4 493 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,1]=4 494 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,0,1]=4 495 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,0]=2 496 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 497 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|0,0,0]=2 498 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|1,0,0]=3 499 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|1,0,0]=3 500 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,0]=3 501 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|1,0,0]=3 502 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,0]=3 503 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,0]=3 504 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,0]=3 506 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|2,0,0]=4 507 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,0]=3 508 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|2,0,0]=4 509 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|2,0,0]=4 510 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,1]=3 511 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|0,0,2]=4 513 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|0,0,1]=3 516 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|0,0,2]=4 517 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|0,0,2]=4 518 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|0,0,0]=2 523 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,0,0]=2 524 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,0]=3 527 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|1,0,0]=3 528 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|1,0,0]=3 529 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|1,0,0]=3 530 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,0,1]=3 532 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,0,0]=2 533 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|0,0,1]=3 534 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,0,1]=3 535 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|0,0,0]=2 536 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,0,0]=2 537 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|0,0,0]=2 538 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|1,0,0]=3 541 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.3 NC(CO)CO CNP0535001.0 [1,1,0,0,0,0|2,0,0]=4 545 B5R0.3 OC(CBr)CBr CNP0017512.0 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.3 OC(CCl)CCl CNP0294183.0 [1,1,0,0,0,0|2,0,0]=4 547 B5R0.3 OC(CI)CI CNP0161531.0 [1,1,0,0,0,0|2,0,0]=4 548 B5R0.3 OC(CP)CP CNP0345632.0 [1,1,0,0,0,0|1,1,0]=4 549 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|2,0,0]=4 550 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|2,0,0]=4 551 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|2,0,0]=4 552 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,1,0,0,0,0|2,0,0]=4 553 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|2,0,0]=4 554 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,1,0,0,0,0|2,0,0]=4 555 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [1,1,0,0,0,0|2,0,0]=4 556 B5R0.3 PCC(P)CP CNP0345634.0 [1,1,0,0,0,0|1,1,0]=4 557 B5R0.4 C#CC(C)(C)O CNP0277501.0 [1,1,0,0,0,0|0,0,2]=4 558 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|0,0,2]=4 559 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|2,0,0]=4 561 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.4 CC(C)(O)C#N CNP0157587.0 [1,1,0,0,0,0|0,0,2]=4 563 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|0,0,0]=2 565 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|1,0,0]=3 566 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|1,0,0]=3 567 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|0,0,0]=2 568 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|0,0,0]=2 569 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|0,0,0]=2 570 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|0,0,0]=2 571 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|0,1,0]=3 572 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|1,0,0]=3 573 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,2]=4 576 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,2]=4 577 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|0,0,2]=4 579 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,2]=4 580 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,1]=3 581 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|0,0,1]=3 587 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|0,0,0]=2 589 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,0]=3 590 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|0,0,0]=2 591 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|0,0,0]=2 592 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|0,0,0]=2 593 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|0,0,0]=2 594 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|2,0,0]=4 595 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|1,0,0]=3 596 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|1,0,0]=3 597 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|1,0,0]=3 599 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,1,0,0,0,0|2,0,0]=4 600 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|1,0,0]=3 601 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|1,0,0]=3 602 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|1,0,0]=3 603 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.2 C=CCSCC CNP0261096.0 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.2 CC#CCCO CNP0515871.0 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|1,0,1]=4 608 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|1,0,1]=4 610 B5R0.2 CCC=NNC CNP0543863.0 [1,1,0,0,0,0|1,0,1]=4 611 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,1]=4 612 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|0,0,2]=4 613 B5R0.2 CCCCC#N CNP0357663.0 [1,1,0,0,0,0|0,0,1]=3 614 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|1,0,0]=3 615 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|1,0,0]=3 616 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|1,0,0]=3 617 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|1,0,0]=3 618 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|0,0,0]=2 619 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|1,0,0]=3 620 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|1,0,0]=3 621 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|0,0,0]=2 622 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|1,0,0]=3 623 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,1,0,0,0,0|1,0,0]=3 625 B5R0.2 CCCN=C=S CNP0077279.0 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.2 CCCSC#N CNP0395197.0 [1,1,0,0,0,0|0,0,2]=4 628 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.2 CCCSSC CNP0296815.0 [1,1,0,0,0,0|2,0,0]=4 630 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|0,0,0]=2 631 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|1,0,0]=3 632 B5R0.2 CCOCC#N CNP0184632.0 [1,1,0,0,0,0|0,0,2]=4 633 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|1,0,0]=3 634 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|0,0,0]=2 635 B5R0.2 CCSSCC CNP0416624.0 [1,1,0,0,0,0|2,0,0]=4 636 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|2,0,0]=4 638 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|1,0,1]=4 639 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|0,0,0]=2 640 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|1,0,0]=3 641 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|0,0,2]=4 642 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|0,0,1]=3 643 B5R0.2 NCCCCN CNP0116270.0 [1,1,0,0,0,0|0,0,0]=2 644 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|0,0,0]=2 645 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|1,0,0]=3 646 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,1,0,0,0,0|0,0,1]=3 649 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,2,0,0,0,0|0,0,0]=2 652 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,2,0,0,0,0|0,0,0]=2 653 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,2,0,0,0,0|0,0,0]=2 654 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,2,0,0,0,0|0,0,0]=2 655 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,2,0,0,0,0|0,0,0]=2 656 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,2,0,0,0,0|0,0,0]=2 657 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|0,0,0]=2 658 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|0,0,0]=2 660 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,2,0,0,0,0|0,0,2]=4 663 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|1,0,1]=4 668 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|0,0,1]=3 669 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|2,0,0]=4 678 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,2,0,0,0,0|0,0,1]=3 697 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|1,0,1]=4 710 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,1]=3 720 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,1]=3 721 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,2,0,0,0,0|2,0,0]=4 725 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,2,0,0,0,0|2,0,0]=4 729 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,2,0,0,0,0|2,0,0]=4 732 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,2,0,0,0,0|2,0,0]=4 735 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|2,0,0]=4 737 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,2,0,0,0,0|2,0,0]=4 740 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.10 ClCC(Cl)C(Cl)CCl CNP0383043.0 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.10 O[C@@H](CS)[C@@H](O)CS CNP0085649.2 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.10 O[C@H](CS)[C@@H](O)CS CNP0085649.1 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.10 O[C@H](CS)[C@H](O)CS CNP0085649.3 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|2,0,0]=4 758 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.11 [C-]#[N+]CC(C)(C)OC CNP0586088.0 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.12 CCN(CC)CCCl CNP0239247.0 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.12 CCN(CC)CCO CNP0354017.0 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,2,0,0,0,0|1,0,1]=4 769 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,2,0,0,0,0|1,0,1]=4 773 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,2,0,0,0,0|2,0,0]=4 777 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.9 C[N+](C)(C)CC(O)O CNP0500510.0 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,2,0,0,0,0|1,0,1]=4 785 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,2,0,0,0,0|0,0,2]=4 786 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,2,0,0,0,0|1,0,0]=3 789 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,2,0,0,0,0|1,0,0]=3 790 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,2,0,0,0,0|0,0,1]=3 792 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|1,0,0]=3 801 B7R0.14 CC(C)(C)[C@@H](O)C#N CNP0051001.2 [0,2,0,0,0,0|0,0,2]=4 802 B7R0.14 CC(C)(C)[C@H](O)C#N CNP0051001.1 [0,2,0,0,0,0|0,0,2]=4 803 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|1,0,0]=3 804 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,2,0,0,0,0|1,0,0]=3 805 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,2,0,0,0,0|1,0,0]=3 806 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,2,0,0,0,0|0,0,1]=3 807 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,2,0,0,0,0|0,0,0]=2 808 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,2,0,0,0,0|1,0,0]=3 809 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,2,0,0,0,0|0,0,1]=3 810 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,2,0,0,0,0|1,0,0]=3 815 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,2,0,0,0,0|2,0,0]=4 820 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,2,0,0,0,0|2,0,0]=4 821 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,2,0,0,0,0|1,0,0]=3 822 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,2,0,0,0,0|1,0,0]=3 823 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,2,0,0,0,0|0,0,0]=2 825 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|1,0,0]=3 827 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,2,0,0,0,0|1,0,0]=3 828 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,2,0,0,0,0|1,0,0]=3 833 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,2,0,0,0,0|0,0,0]=2 834 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|1,0,0]=3 835 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,2,0,0,0,0|1,0,0]=3 836 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,2,0,0,0,0|2,0,0]=4 838 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|1,0,0]=3 839 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|2,0,0]=4 840 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|2,0,0]=4 841 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,2,0,0,0,0|2,0,0]=4 842 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|2,0,0]=4 843 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|2,0,0]=4 844 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,2,0,0,0,0|2,0,0]=4 845 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,2,0,0,0,0|2,0,0]=4 846 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|2,0,0]=4 847 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [0,2,0,0,0,0|2,0,0]=4 848 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [0,2,0,0,0,0|0,0,0]=2 849 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,2,0,0,0,0|1,0,0]=3 850 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [0,2,0,0,0,0|2,0,0]=4 851 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.8 COCCC(C)(C)S CNP0210797.0 [0,2,0,0,0,0|1,0,0]=3 853 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|0,0,0]=2 854 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,0]=3 855 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|1,0,0]=3 856 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|2,0,0]=4 857 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|0,0,2]=4 858 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|2,0,0]=4 859 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|2,0,0]=4 860 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,0]=3 861 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|2,0,0]=4 862 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,0]=3 863 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|1,0,0]=3 864 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,0]=3 865 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 866 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|0,0,2]=4 867 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|0,0,2]=4 868 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|0,1,1]=4 869 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|1,0,0]=3 870 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|0,0,0]=2 871 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,0]=3 872 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|0,1,0]=3 873 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|1,0,0]=3 874 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|2,0,0]=4 875 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|1,0,0]=3 876 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|2,0,0]=4 877 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|2,0,0]=4 882 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|2,0,0]=4 884 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,1,0,0|1,0,1]=4 885 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|1,0,1]=4 886 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|2,0,0]=4 890 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|0,0,1]=3 891 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|2,0,0]=4 894 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,1]=4 895 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,1]=4 897 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|1,0,1]=4 898 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|0,0,0]=2 904 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|1,0,0]=3 910 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|1,0,1]=4 922 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|2,0,0]=4 923 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|2,0,0]=4 926 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,0,1]=4 931 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|2,0,0]=4 932 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|1,0,0]=3 934 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,0,1]=4 935 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|2,0,0]=4 936 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,1]=4 938 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,1,0,0|2,0,0]=4 939 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|2,0,0]=4 942 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,1,0,0|2,0,0]=4 943 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,1,0,1,0,0|2,0,0]=4 944 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|1,0,0]=3 945 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|2,0,0]=4 946 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,1,0,1,0,0|2,0,0]=4 950 B7R1.7 N#CCC[C@H]1CS1 CNP0258017.1 [0,1,0,1,0,0|1,0,1]=4 951 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|1,0,0]=3 953 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|1,0,0]=3 955 B7R1.14 CC1(CSSS1)C CNP0283830.0 [0,1,0,1,0,0|2,0,0]=4 956 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|1,0,0]=3