0 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CC(CO)CO CNP0282467.0 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,0,0,0,0|2,1,1]=4 14 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CCC(N)NC CNP0278870.0 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CCC(O)CCl CNP0366953.0 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 CCC(O)CO CNP0534149.0 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 CCC(S)CS CNP0197461.0 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 CCC(S)SC CNP0609154.0 [0,0,0,0,0,0|2,1,0]=3 23 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.3 CNC(=N)NC CNP0404528.0 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 CNC(=O)NC CNP0028412.0 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 CNC(=O)OC CNP0483114.0 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 COC(=O)NN CNP0033099.0 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.3 COC(C)OC CNP0122626.0 [0,0,0,0,0,0|0,0,0]=0 39 B5R0.3 CSC(C)SC CNP0610569.0 [0,0,0,0,0,0|0,2,0]=2 40 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|2,1,0]=4 57 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,1,0]=3 66 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,0,2]=4 72 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|0,0,2]=3 75 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|0,1,2]=4 77 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|0,1,0]=2 78 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|0,2,0]=3 79 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|1,1,1]=4 80 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|1,1,1]=4 81 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|1,1,1]=4 96 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|1,1,1]=4 97 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|1,1,1]=4 100 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|1,1,0]=3 109 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,1,0]=4 110 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|2,1,0]=4 114 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|1,1,0]=3 119 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|2,1,0]=4 120 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,1,0]=4 121 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|0,2,0]=3 122 B4R0.2 CSSSC CNP0486985.0 [1,0,0,0,0,0|1,2,0]=4 123 B4R0.2 CS[Se]SC CNP0608554.0 [1,0,0,0,0,0|1,2,0]=4 124 B4R0.2 NOCON CNP0531529.0 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|1,1,1]=4 127 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|1,1,0]=3 142 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|0,0,0]=1 152 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|0,2,0]=3 154 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|2,1,0]=4 155 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|1,1,0]=3 158 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,0,0,0,0|1,1,1]=4 162 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,1,1]=4 166 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|1,1,0]=3 202 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|1,1,0]=3 203 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.8 CC(C)(OO)OO CNP0338983.0 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,1,0,0,0,0|1,1,0]=3 209 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.8 COP(=O)(N)SC CNP0341467.0 [0,1,0,0,0,0|2,1,0]=4 214 B6R0.8 COP(=S)(O)OC CNP0573753.0 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,1,0,0,0,0|2,1,0]=4 216 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,1,0,0,0,0|0,2,0]=3 217 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,1,0,0,0,0|0,0,1]=2 218 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.9 CCC(CC)CC CNP0205695.0 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.9 CCC(CC)SC CNP0410895.0 [0,1,0,0,0,0|1,1,0]=3 225 B6R0.9 CCC(OC)OC CNP0171881.0 [0,1,0,0,0,0|0,0,0]=1 226 B6R0.9 CCN(CC)CC CNP0209343.0 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.9 CCP(CC)CC CNP0368013.0 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.9 COC(CO)CO CNP0242404.0 [0,1,0,0,0,0|2,0,0]=3 229 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,1,1]=4 231 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|1,0,1]=3 232 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,1,0,0|1,1,1]=4 233 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|1,0,0]=2 235 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|0,0,0]=1 236 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|0,2,0]=3 237 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,0]=3 239 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|3,0,0]=4 240 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|1,1,0]=3 241 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.2 OB1OCCO1 CNP0510130.0 [0,0,0,1,0,0|2,0,0]=3 245 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|3,0,0]=4 246 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|3,0,0]=4 249 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|2,1,0]=4 250 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|3,0,0]=4 251 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|1,1,0]=3 252 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|2,0,0]=3 253 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|1,0,1]=4 254 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|1,0,1]=4 255 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 256 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|0,0,2]=4 259 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|1,0,1]=4 260 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|1,0,1]=4 261 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|1,0,0]=3 267 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|1,0,0]=3 270 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|1,1,0]=4 271 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|2,0,0]=4 272 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 273 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|0,0,0]=2 274 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,0]=3 275 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|0,1,0]=3 276 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,1,0]=4 277 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 278 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|0,0,2]=4 279 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|0,0,0]=2 280 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|0,2,0]=4 281 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|0,2,0]=4 282 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|2,0,0]=4 284 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|2,0,0]=4 286 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,2]=4 289 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,2]=4 290 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,2]=4 291 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,2]=4 292 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,0]=2 293 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 294 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 295 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,0]=2 296 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,0]=3 297 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,0]=3 298 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 299 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,1]=4 300 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,0]=3 301 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|1,1,0]=4 302 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,0]=3 303 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,0]=3 304 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,0,0]=3 305 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,0]=3 306 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 307 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,0]=3 308 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 309 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 310 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,1]=4 311 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|1,0,1]=4 312 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|2,0,0]=4 313 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|2,0,0]=4 314 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|2,0,0]=4 315 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|1,1,0]=4 317 B3R0.2 OB(O)O CNP0568939.0 [2,0,0,0,0,0|2,0,0]=4 318 B3R0.2 OC(O)O CNP0594478.0 [2,0,0,0,0,0|1,0,0]=3 319 B3R0.2 O[As](O)O CNP0559543.0 [2,0,0,0,0,0|2,0,0]=4 320 B3R0.2 O[Sb](O)O CNP0536687.0 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.2 O[Zn-](O)O CNP0493920.0 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,1]=3 323 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|0,0,1]=3 326 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|0,0,2]=4 329 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|1,0,0]=3 334 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|1,0,0]=3 335 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|0,0,1]=3 340 B5R0.1 CC(C)ON=N CNP0504626.0 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|1,1,0]=4 343 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,0]=3 344 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|1,0,0]=3 348 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|1,1,0]=4 349 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|2,0,0]=4 350 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,2]=4 353 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|0,0,0]=2 355 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,2]=4 356 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|0,1,0]=3 357 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|0,2,0]=4 358 B5R0.1 CN(C)CCCl CNP0328789.0 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|1,0,0]=3 362 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,2]=4 363 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|0,0,0]=2 365 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|0,1,0]=3 366 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|0,1,0]=3 367 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.4 C#CC(C)(C)O CNP0277501.0 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.4 CC(C)(O)C#N CNP0157587.0 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|2,0,0]=4 379 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|2,0,0]=4 380 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|1,0,0]=3 385 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|1,1,0]=4 386 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|0,0,0]=2 387 B5R0.4 COP(=O)(O)O CNP0100207.0 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.4 COS(=O)(=O)C CNP0336702.0 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|1,0,0]=3 396 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|1,1,0]=4 397 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|1,0,0]=3 405 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|1,0,0]=3 409 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|1,0,0]=3 410 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|2,0,0]=4 414 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|1,1,0]=4 418 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|1,0,0]=3 420 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|2,0,0]=4 421 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,1,0,0,0,0|2,0,0]=4 422 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.2 CC=C=COC CNP0519318.0 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|2,0,0]=4 426 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|2,0,0]=4 429 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|2,0,0]=4 433 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|1,1,0]=4 435 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|1,1,0]=4 437 B5R0.2 CCCSSC CNP0296815.0 [1,1,0,0,0,0|1,1,0]=4 438 B5R0.2 CCOCC#N CNP0184632.0 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.2 COC=COC CNP0416791.0 [1,1,0,0,0,0|0,0,1]=3 442 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|0,0,0]=2 443 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|1,1,0]=4 444 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|1,1,0]=4 445 B5R0.2 CSCSSC CNP0313036.0 [1,1,0,0,0,0|0,2,0]=4 446 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|0,2,0]=4 454 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|1,1,0]=4 461 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|0,2,0]=4 462 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,2,0,0,0,0|1,1,0]=4 463 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,2,0,0,0,0|1,1,0]=4 465 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,1,0]=4 471 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,2,0,0,0,0|0,0,2]=4 472 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|2,0,0]=4 475 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|1,1,0]=4 476 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|2,0,0]=4 477 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,0,0]=3 478 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|0,0,0]=2 480 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|0,2,0]=4 482 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|0,2,0]=4 483 B7R0.7 COCC(O)COC CNP0241402.0 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|2,0,0]=4 486 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|2,0,0]=4 487 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|2,0,0]=4 488 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|2,0,0]=4 491 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|1,0,0]=3 492 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,0,0]=3 501 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|1,1,0]=4 503 B7R0.11 [C-]#[N+]CC(C)(C)OC CNP0586088.0 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,2,0,0,0,0|0,2,0]=4 506 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|1,1,0]=4 508 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|0,0,0]=2 509 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.18 COC(C)(CBr)OC CNP0018572.0 [0,2,0,0,0,0|0,0,0]=2 514 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|1,0,0]=3 515 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|2,0,0]=4 516 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|0,0,2]=4 517 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|1,0,0]=3 518 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 519 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|2,0,0]=4 520 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|2,0,0]=4 521 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|2,0,0]=4 522 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|2,0,0]=4 523 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,0]=3 524 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|1,1,0]=4 525 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|0,0,0]=2 526 B5R1.5 ClC1(CO1)Cl CNP0513034.0 [1,0,0,1,0,0|2,0,0]=4 527 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|1,0,1]=4 528 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|1,0,1]=4 529 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|2,0,0]=4 530 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|2,0,0]=4 531 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,0]=3 532 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|2,0,0]=4 533 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|1,1,0]=4 534 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|0,0,0]=2 535 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|1,1,0]=4 536 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,1,0,0|0,0,1]=3 537 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|0,0,0]=2 539 B7R1.1 COC1OCCO1 CNP0076084.0 [0,1,0,1,0,0|0,0,0]=2 540 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|1,1,0]=4 547 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,1]=4 548 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|1,1,0]=4 550 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|1,0,1]=4 551 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|1,0,1]=4 552 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|0,2,0]=4 560 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|0,1,0]=3 562 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|1,0,1]=4 564 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|1,1,0]=4 568 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|1,1,0]=4 569 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|1,1,0]=4 570 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|1,1,0]=4 575 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|1,1,0]=4 580 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|1,1,0]=4 583 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|1,1,0]=4 586 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|2,0,0]=4