0 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,0,0,0,0,0|0,0,4]=4 2 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CC(=NO)CO CNP0284253.0 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CC(CO)CO CNP0282467.0 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,0,0,0,0,0|0,0,4]=4 10 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,0,0,0,0|0,1,2]=3 13 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,0,0,0,0|0,1,0]=1 21 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 CCC(N)NC CNP0278870.0 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 CCC(O)CCl CNP0366953.0 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 CCC(O)CO CNP0534149.0 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.3 CCC(S)CS CNP0197461.0 [0,0,0,0,0,0|1,1,0]=2 27 B5R0.3 CCC(S)SC CNP0609154.0 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,0,0,0,0,0|0,0,2]=2 29 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,0,0,0,0|0,0,0]=0 30 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,0,0,0,0,0|0,0,2]=2 32 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,0,0,0,0|0,0,0]=0 34 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.3 CN(C=O)CO CNP0412364.0 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.3 COC(C)OC CNP0122626.0 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.3 CSC(C)SC CNP0610569.0 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 NC(CO)CO CNP0535001.0 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 NCC(=O)NO CNP0470573.0 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.3 O=C(CO)CO CNP0303926.0 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 OC(CI)CI CNP0161531.0 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.3 OC(CP)CP CNP0345632.0 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.3 OCC(O)CCl CNP0334066.0 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.3 OCC(O)CO CNP0259986.0 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.3 PCC(P)CP CNP0345634.0 [0,0,0,0,0,0|3,0,0]=3 65 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|0,0,2]=3 69 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|0,0,2]=3 70 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|0,0,2]=3 71 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|0,0,2]=3 72 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|0,0,2]=3 73 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|1,0,2]=4 79 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|0,0,2]=3 82 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|0,0,2]=3 83 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|0,0,0]=1 85 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|0,1,0]=2 86 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|1,1,0]=3 90 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|0,0,2]=3 91 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,1]=4 92 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,2]=4 93 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|0,0,2]=3 94 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,0]=1 102 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|0,0,0]=1 106 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|0,1,0]=2 107 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|0,0,0]=1 108 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|1,1,1]=4 110 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|1,1,0]=3 119 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|1,0,0]=2 127 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|0,0,3]=4 132 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,0,0,0,0,0|3,0,0]=4 133 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|0,0,2]=3 144 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 145 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|0,0,2]=3 148 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|0,0,2]=3 156 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|0,1,2]=4 157 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|0,0,2]=3 159 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,2]=3 162 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,0]=2 163 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,0]=2 164 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,0]=2 165 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,0]=1 166 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|0,1,0]=2 167 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|1,0,0]=2 171 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|1,1,1]=4 172 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,2]=4 185 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,0]=2 191 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,0]=3 192 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,1]=3 193 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,2]=4 194 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,0]=2 195 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|1,1,0]=3 198 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|0,0,2]=3 202 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,1,0,0,0,0|1,0,2]=4 203 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|0,0,3]=4 204 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|0,0,3]=4 206 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|0,0,3]=4 208 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|0,0,2]=3 209 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|0,1,2]=4 210 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|1,1,1]=4 211 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|0,0,1]=2 213 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|0,0,1]=2 214 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|0,0,2]=3 215 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|0,0,2]=3 216 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|0,0,3]=4 218 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|0,0,1]=2 219 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|1,0,1]=3 220 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|0,0,2]=3 224 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|0,0,0]=1 226 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|0,0,0]=1 230 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|0,0,0]=1 242 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,1,0,0,0,0|0,1,1]=3 243 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|1,1,0]=3 244 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|0,0,0]=1 245 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,1,0,0,0,0|0,1,1]=3 246 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|1,0,1]=3 257 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|0,0,3]=4 258 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|0,0,0]=1 262 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|1,0,2]=4 263 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|0,0,3]=4 271 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|1,0,2]=4 272 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,2]=4 273 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|1,1,1]=4 275 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|1,0,1]=3 277 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|2,0,0]=3 282 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|0,0,2]=3 283 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|0,0,2]=3 284 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|0,0,2]=3 285 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|0,0,1]=2 286 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|0,0,0]=1 287 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|0,0,0]=1 288 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|1,0,2]=4 290 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|0,0,2]=3 292 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|0,0,2]=3 293 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|0,0,2]=3 294 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|0,0,1]=2 295 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|0,0,0]=1 297 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|1,0,2]=4 305 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|2,0,0]=3 307 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|0,0,0]=1 311 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,0,0]=2 314 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|1,0,0]=2 315 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|1,0,1]=3 317 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,1,0,0,0,0|3,0,0]=4 339 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.8 CC(C)(OO)OO CNP0338983.0 [0,1,0,0,0,0|3,0,0]=4 342 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,1,0,0,0,0|1,0,0]=2 343 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,1,0,0,0,0|1,0,0]=2 344 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,1,0,0,0,0|1,0,0]=2 346 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,1,0,0,0,0|0,0,0]=1 347 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,1,0,0,0,0|1,0,1]=3 348 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,1,0,0,0,0|1,0,1]=3 349 B6R0.8 CC[Si](Cl)(Cl)CC CNP0296955.0 [0,1,0,0,0,0|2,1,0]=4 350 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,1,0,0,0,0|1,0,2]=4 352 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,1,0,0,0,0|3,0,0]=4 353 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,0,0,0,0|0,0,3]=4 356 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|0,0,1]=2 358 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,0,0,0,0|0,0,2]=3 360 B6R0.9 CCC(CC)CC CNP0205695.0 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.9 CCC(CC)SC CNP0410895.0 [0,1,0,0,0,0|1,0,0]=2 362 B6R0.9 CCC(OC)OC CNP0171881.0 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.9 CCN(CC)CC CNP0209343.0 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.9 CCP(CC)CC CNP0368013.0 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.9 COC(CO)CO CNP0242404.0 [0,1,0,0,0,0|1,0,0]=2 367 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,1,0,0,0,0|2,0,1]=4 368 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|1,0,2]=4 369 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|1,0,2]=4 370 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|0,0,2]=3 371 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|0,0,2]=3 372 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|1,1,1]=4 373 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|0,0,2]=3 374 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|2,0,1]=4 375 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|1,0,0]=2 376 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|2,0,0]=3 377 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|3,0,0]=4 378 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|3,0,0]=4 379 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,1,0,0|2,0,1]=4 380 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|2,0,0]=3 381 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|1,0,2]=4 382 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,0]=3 383 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|0,1,0]=2 384 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|3,0,0]=4 385 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|2,0,1]=4 386 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,1,0,0|3,0,0]=4 387 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|2,0,1]=4 388 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|1,0,1]=3 389 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|2,0,1]=4 390 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|1,1,1]=4 391 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,1]=4 392 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|2,0,0]=3 393 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,1,0,0|2,1,0]=4 394 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|2,0,0]=3 395 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|2,0,0]=3 396 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|3,0,0]=4 397 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|0,0,2]=3 398 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|0,1,0]=2 399 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|0,0,2]=3 400 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|1,0,0]=2 401 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|1,0,1]=3 402 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 403 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 405 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 406 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,2]=4 408 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,2]=4 409 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 410 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 411 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,2]=4 414 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 415 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 416 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,0]=2 417 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 418 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 419 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,0]=2 420 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,0]=3 421 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 422 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 423 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,0]=3 424 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,0]=3 425 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,0]=3 426 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,0]=3 427 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 428 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 429 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 430 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 431 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 432 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 433 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 434 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,0]=3 435 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,1,0]=4 436 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,1]=4 438 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 439 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 440 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,0]=3 441 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,0]=3 442 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|1,1,0]=4 443 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,2]=4 444 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,2]=4 445 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,2]=4 446 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,0]=2 448 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 449 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 450 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,0]=2 451 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,0]=3 452 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,0]=3 453 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 454 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|2,0,0]=4 455 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,0]=3 456 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|2,0,0]=4 457 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,0]=3 458 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,0]=3 459 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|2,0,0]=4 460 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,0]=3 461 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 462 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,0]=3 463 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 464 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 465 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|2,0,0]=4 466 B3R0.2 OC(O)O CNP0594478.0 [2,0,0,0,0,0|2,0,0]=4 467 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,1]=3 468 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|0,0,2]=4 469 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|0,0,2]=4 470 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|0,0,2]=4 471 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|0,0,1]=3 472 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,0,1]=3 473 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|0,0,2]=4 474 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|0,0,1]=3 475 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|0,0,2]=4 476 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,2]=4 477 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,0,2]=4 478 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|0,0,1]=3 479 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|0,0,1]=3 480 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|0,0,0]=2 483 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|0,0,0]=2 484 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|0,0,0]=2 485 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|0,0,0]=2 486 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|0,0,2]=4 487 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,1,0,0,0,0|0,1,1]=4 488 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|0,0,2]=4 489 B5R0.1 CC(C)ON=N CNP0504626.0 [1,1,0,0,0,0|2,0,0]=4 490 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,0,0]=2 491 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|0,1,0]=3 492 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|0,0,1]=3 493 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,1]=3 494 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|0,0,1]=3 495 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,1]=3 496 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,2]=4 497 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|0,0,0]=2 499 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|0,1,0]=3 500 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|1,0,0]=3 501 B5R0.1 CCCS(=S)O CNP0558357.0 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|0,0,0]=2 503 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|0,0,0]=2 504 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|0,0,2]=4 505 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,2]=4 506 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|0,0,0]=2 508 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,2]=4 509 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,2]=4 510 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|0,0,0]=2 511 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|0,1,0]=3 512 B5R0.1 CN(C)CC#N CNP0084986.0 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.1 CN(C)CCCl CNP0328789.0 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|0,0,1]=3 516 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|0,0,0]=2 519 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,2]=4 520 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|0,0,0]=2 522 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,0,2]=4 523 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|0,0,0]=2 525 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|1,0,0]=3 527 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|0,0,1]=3 528 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,1]=3 529 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,0]=2 530 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,0]=2 531 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|2,0,0]=4 536 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|2,0,0]=4 537 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|2,0,0]=4 538 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.4 C#CC(C)(C)O CNP0277501.0 [1,1,0,0,0,0|0,0,2]=4 541 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|0,0,2]=4 542 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|0,0,2]=4 543 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|1,0,0]=3 545 B5R0.4 CC(C)(O)C#N CNP0157587.0 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|0,0,2]=4 547 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|0,0,0]=2 549 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|0,1,0]=3 550 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|0,0,0]=2 551 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|0,0,0]=2 552 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|0,0,0]=2 553 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|0,0,0]=2 554 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|2,0,0]=4 555 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [1,1,0,0,0,0|2,0,0]=4 556 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|0,1,0]=3 557 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|1,0,0]=3 558 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 559 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.4 OCC(Cl)(Cl)Cl CNP0418010.0 [1,1,0,0,0,0|2,0,0]=4 561 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,1]=3 562 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,1]=3 563 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,1]=3 564 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|0,0,2]=4 565 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,2]=4 566 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,1]=3 567 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|0,0,2]=4 568 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,1]=3 571 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,1]=3 572 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|0,0,2]=4 573 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|0,0,2]=4 574 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,1]=3 575 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|0,0,0]=2 576 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,0]=3 577 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|0,0,0]=2 578 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|0,0,0]=2 579 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|0,0,0]=2 580 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|0,0,0]=2 581 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|1,0,1]=4 587 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|0,0,0]=2 588 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|0,1,0]=3 589 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|0,0,0]=2 592 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|1,0,1]=4 593 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,1,0,0,0,0|1,0,0]=3 595 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|0,0,0]=2 596 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|0,0,0]=2 597 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|1,0,0]=3 599 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|0,0,1]=3 600 B5R0.2 C=CCSCC CNP0261096.0 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.2 CC#CCCO CNP0515871.0 [1,1,0,0,0,0|0,0,1]=3 602 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|0,0,2]=4 603 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|0,0,1]=3 605 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|0,0,1]=3 606 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|0,0,1]=3 607 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|0,0,1]=3 609 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|0,0,1]=3 610 B5R0.2 CCCCC#N CNP0357663.0 [1,1,0,0,0,0|1,0,0]=3 611 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|0,0,1]=3 612 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|1,0,0]=3 613 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|1,0,0]=3 614 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|1,0,0]=3 615 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|1,0,0]=3 616 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|0,0,0]=2 617 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|0,1,0]=3 618 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|1,0,0]=3 619 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|0,0,0]=2 620 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|0,1,0]=3 621 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,1,0,0,0,0|0,0,1]=3 622 B5R0.2 CCCN=C=S CNP0077279.0 [1,1,0,0,0,0|0,1,1]=4 623 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|0,0,2]=4 624 B5R0.2 CCCSC#N CNP0395197.0 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|1,0,0]=3 626 B5R0.2 CCCSSC CNP0296815.0 [1,1,0,0,0,0|1,1,0]=4 627 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|1,0,0]=3 628 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|0,0,0]=2 629 B5R0.2 CCOCC#N CNP0184632.0 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|0,0,0]=2 631 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|1,0,0]=3 632 B5R0.2 CCSSCC CNP0416624.0 [1,1,0,0,0,0|2,0,0]=4 633 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|2,0,0]=4 634 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|1,0,0]=3 635 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|0,0,2]=4 636 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|0,0,0]=2 638 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|0,0,1]=3 639 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|0,0,2]=4 640 B5R0.2 NCCCCN CNP0116270.0 [1,1,0,0,0,0|1,0,0]=3 641 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|0,0,0]=2 642 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|0,0,2]=4 643 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|0,0,0]=2 644 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|0,0,0]=2 645 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|0,0,0]=2 646 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|1,0,0]=3 652 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|0,0,1]=3 653 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|0,0,2]=4 655 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|0,0,1]=3 657 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|0,0,0]=2 658 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|0,0,2]=4 659 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|0,0,1]=3 660 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|0,0,1]=3 661 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|0,0,0]=2 662 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,2,0,0,0,0|0,1,1]=4 664 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,2,0,0,0,0|0,1,1]=4 665 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|1,1,0]=4 670 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|2,0,0]=4 675 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|0,0,0]=2 682 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|0,0,0]=2 684 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|0,0,2]=4 686 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|0,0,0]=2 689 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,2,0,0,0,0|1,0,0]=3 693 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|1,0,0]=3 694 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,2,0,0,0,0|0,1,1]=4 696 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,2,0,0,0,0|0,1,1]=4 697 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,2,0,0,0,0|1,1,0]=4 698 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,2,0,0,0,0|0,1,0]=3 701 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,2,0,0,0,0|1,1,0]=4 703 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|0,0,1]=3 704 B7R0.3 CON=CC(O)CO CNP0082054.0 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|0,0,2]=4 710 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|0,0,2]=4 711 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|0,0,1]=3 713 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|0,0,2]=4 715 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|0,0,2]=4 719 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|0,0,2]=4 720 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|0,0,2]=4 721 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|0,0,1]=3 722 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|0,0,2]=4 724 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|0,0,2]=4 725 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|0,0,1]=3 726 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|1,0,1]=4 730 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|1,0,1]=4 731 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|0,0,2]=4 733 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,1]=3 739 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,1]=3 740 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|1,0,1]=4 749 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|0,0,1]=3 753 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|0,0,0]=2 756 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|0,0,0]=2 759 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|1,1,0]=4 764 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.7 COCC(O)COC CNP0241402.0 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|0,0,2]=4 769 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|0,0,2]=4 770 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|0,0,2]=4 771 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|0,0,1]=3 774 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|0,0,2]=4 776 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|0,0,0]=2 777 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|0,0,1]=3 778 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|0,0,0]=2 780 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|0,0,1]=3 781 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|0,0,0]=2 782 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|0,0,1]=3 785 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.10 C[C@@H](CO)/[N+](=N\O)/[O-] CNP0110510.1 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.10 ClCC(Cl)C(Cl)CCl CNP0383043.0 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.10 O[C@@H](CS)[C@@H](O)CS CNP0085649.2 [0,2,0,0,0,0|1,1,0]=4 800 B7R0.10 O[C@H](CS)[C@@H](O)CS CNP0085649.1 [0,2,0,0,0,0|1,1,0]=4 801 B7R0.10 O[C@H](CS)[C@H](O)CS CNP0085649.3 [0,2,0,0,0,0|1,1,0]=4 802 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|1,0,0]=3 803 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|1,0,0]=3 804 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,0,0]=3 805 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.11 [C-]#[N+]CC(C)(C)OC CNP0586088.0 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|0,0,2]=4 810 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,2,0,0,0,0|1,0,1]=4 812 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,2,0,0,0,0|1,1,0]=4 813 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|1,0,0]=3 815 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.12 CCN(CC)CCCl CNP0239247.0 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.12 CCN(CC)CCO CNP0354017.0 [0,2,0,0,0,0|1,0,0]=3 818 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|1,0,0]=3 819 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|0,0,0]=2 820 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,2,0,0,0,0|1,0,1]=4 824 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|0,0,1]=3 825 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|1,0,0]=3 826 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|0,0,1]=3 827 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,2,0,0,0,0|0,0,2]=4 828 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|0,0,1]=3 829 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|0,0,1]=3 830 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|0,0,1]=3 831 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|1,0,0]=3 833 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.13 C[C@](Br)(CBr)C(Br)Br CNP0323991.1 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|1,0,0]=3 837 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,2,0,0,0,0|0,0,2]=4 838 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,2,0,0,0,0|0,0,2]=4 839 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|0,0,1]=3 840 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|0,0,1]=3 842 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,2,0,0,0,0|0,0,1]=3 844 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,2,0,0,0,0|1,0,1]=4 849 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,2,0,0,0,0|1,0,1]=4 851 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,2,0,0,0,0|0,0,2]=4 852 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,2,0,0,0,0|2,0,0]=4 854 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,2,0,0,0,0|2,0,0]=4 855 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,1]=4 857 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|1,0,1]=4 858 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,1]=4 859 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,2,0,0,0,0|1,0,1]=4 862 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,2,0,0,0,0|1,0,1]=4 863 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,2,0,0,0,0|1,0,1]=4 864 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,2,0,0,0,0|0,0,1]=3 866 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,2,0,0,0,0|1,0,1]=4 867 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,2,0,0,0,0|1,0,1]=4 869 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,2,0,0,0,0|1,0,1]=4 870 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,2,0,0,0,0|1,0,1]=4 872 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,2,0,0,0,0|1,0,1]=4 874 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,2,0,0,0,0|0,0,1]=3 875 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,2,0,0,0,0|1,0,1]=4 876 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,2,0,0,0,0|0,0,1]=3 878 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,2,0,0,0,0|1,0,1]=4 879 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,2,0,0,0,0|0,0,1]=3 880 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,2,0,0,0,0|1,0,1]=4 881 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,2,0,0,0,0|1,0,1]=4 882 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,2,0,0,0,0|1,0,1]=4 883 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|1,0,1]=4 884 B7R0.18 CC(CN)(CN)CN CNP0469083.0 [0,2,0,0,0,0|2,0,0]=4 885 B7R0.18 CCP(=S)(CC)CC CNP0270644.0 [0,2,0,0,0,0|2,0,0]=4 886 B7R0.18 CC[Pb](O)(CC)CC CNP0548764.0 [0,2,0,0,0,0|2,0,0]=4 887 B7R0.18 CC[Si](Cl)(CC)CC CNP0151656.0 [0,2,0,0,0,0|1,1,0]=4 888 B7R0.18 COC(C)(CBr)OC CNP0018572.0 [0,2,0,0,0,0|2,0,0]=4 889 B7R0.18 C[N+](CO)(CO)CO CNP0602661.0 [0,2,0,0,0,0|2,0,0]=4 890 B7R0.18 NC(CO)(CO)CO CNP0207404.0 [0,2,0,0,0,0|1,0,0]=3 891 B7R0.18 NC(CO)(CO)CO CNP0596345.0 [0,2,0,0,0,0|1,0,0]=3 892 B7R0.18 O=P(CO)(CO)CO CNP0057905.0 [0,2,0,0,0,0|2,0,0]=4 893 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|0,0,0]=2 894 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,0]=3 895 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,1]=4 896 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|0,0,0]=2 897 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|1,0,1]=4 898 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|0,0,2]=4 899 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,0,0]=3 900 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,0,0]=3 901 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|0,0,0]=2 902 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|1,0,0]=3 903 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|0,0,0]=2 904 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|0,1,0]=3 905 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|0,0,0]=2 906 B5R1.5 ClC1(CO1)Cl CNP0513034.0 [1,0,0,1,0,0|2,0,0]=4 907 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 908 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|0,0,2]=4 909 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,2]=4 910 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,1]=4 911 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,1]=4 912 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|1,0,0]=3 913 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,0]=3 914 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|0,0,0]=2 915 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,0,0]=3 916 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|0,1,0]=3 917 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|1,0,0]=3 918 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|1,1,0]=4 919 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|1,1,0]=4 920 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|1,0,0]=3 922 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|2,0,0]=4 923 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,1,0,1,0,0|1,1,0]=4 924 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|1,0,0]=3 925 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|0,0,0]=2 926 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|0,0,0]=2 927 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|0,0,0]=2 928 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|0,0,0]=2 929 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,1,0,0|1,0,1]=4 930 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|0,0,1]=3 931 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|0,1,1]=4 932 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|0,0,1]=3 934 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,1]=4 935 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|0,0,1]=3 936 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|0,0,2]=4 937 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|0,0,0]=2 938 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|1,0,1]=4 940 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|1,0,1]=4 941 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,2]=4 942 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|0,0,1]=3 945 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,1,0,1,0,0|1,1,0]=4 946 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,2]=4 947 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|0,0,1]=3 948 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,1,0,1,0,0|1,0,1]=4 949 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|1,0,1]=4 950 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|1,0,1]=4 951 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|1,0,1]=4 952 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|1,0,1]=4 953 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|1,0,1]=4 954 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,1,0,1,0,0|2,0,0]=4 955 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|1,0,1]=4 956 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,0,0]=3 958 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|0,0,0]=2 960 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|1,1,0]=4 961 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|1,0,0]=3 963 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,1,0,1,0,0|1,1,0]=4 966 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|2,0,0]=4 967 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,1,0,1,0,0|1,1,0]=4 969 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,1,0,1,0,0|2,0,0]=4 970 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,1,0,0|2,0,0]=4 971 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,1]=4 972 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|1,0,0]=3 975 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|0,0,2]=4 976 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,1]=3 977 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|0,0,0]=2 978 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|0,1,0]=3 979 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,0,2]=4 980 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|0,0,0]=2 981 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|0,1,0]=3 982 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,1,0,1,0,0|1,0,1]=4 983 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|0,0,2]=4 984 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|1,0,0]=3 985 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|1,0,0]=3 986 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|0,0,0]=2 987 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,1]=3 988 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|0,1,0]=3 989 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|0,0,2]=4 990 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|0,0,2]=4 991 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|1,0,0]=3 992 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,1]=3 993 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|0,0,2]=4 994 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|1,0,1]=4 995 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|1,0,0]=3 996 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|1,0,0]=3 997 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|1,0,1]=4 998 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,1]=4 999 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,1]=4 1000 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,1,0,0|1,0,0]=3 1001 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|1,0,0]=3 1002 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|1,0,0]=3 1003 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|1,0,0]=3 1004 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,1,0,0|1,1,0]=4 1005 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,1,0,1,0,0|2,0,0]=4 1006 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|2,0,0]=4 1007 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|0,0,0]=2 1008 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|1,0,1]=4 1009 B7R1.22 OC[C@@H](O)C1OO1 CNP0531220.1 [0,1,0,1,0,0|2,0,0]=4 1010 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|1,0,0]=3 1011 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|0,0,2]=4 1012 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|1,0,1]=4 1013 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|1,0,1]=4 1014 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,1,0,1,0,0|1,0,1]=4 1015 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|2,0,0]=4 1016 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|1,0,0]=3 1017 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|1,0,0]=3 1018 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|2,0,0]=4 1019 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|1,1,0]=4 1020 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|1,0,0]=3