0 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|0,0,4]=4 8 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 C=C[S+]([O-])C=C CNP0547152.0 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CC(=NO)CO CNP0284253.0 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,0,0,0,0,0|0,0,0]=0 12 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|0,0,2]=2 14 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,0,0,0,0|0,1,1]=2 15 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,0,0,0,0|1,0,3]=4 18 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,0,0,0,0|1,0,3]=4 22 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,0,0,0,0|0,1,3]=4 23 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,0,0,0,0,0|0,0,2]=2 24 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,0,0,0,0|0,0,4]=4 25 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,0,0,0,0,0|1,0,3]=4 26 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,0,0,0,0,0|0,0,2]=2 27 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,0,0,0,0|1,0,3]=4 28 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,0,0,0,0|0,0,4]=4 29 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 CN(C=O)CO CNP0412364.0 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.3 CNC(=N)NC CNP0404528.0 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.3 CNC(=O)NC CNP0028412.0 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.3 CNC(=O)OC CNP0483114.0 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 COC(=O)NN CNP0033099.0 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|1,0,3]=4 39 B5R0.3 COC(C)OC CNP0122626.0 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.3 CSC(C)SC CNP0610569.0 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,0,0,0,0|0,0,2]=3 45 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|0,0,0]=1 51 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|0,0,1]=2 52 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.1 C=C(Cl)C#N CNP0518154.0 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C=C(N)C#N CNP0550766.0 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|0,0,1]=2 57 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|0,0,1]=2 59 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|0,0,3]=4 65 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|0,0,3]=4 66 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|0,0,1]=2 80 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|0,0,1]=2 81 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|0,0,3]=4 83 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|0,1,2]=4 84 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,0,1]=3 85 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|0,0,1]=2 86 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,1]=4 87 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|0,0,1]=2 89 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,3]=4 97 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|0,0,3]=4 99 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|0,1,2]=4 100 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|0,0,3]=4 101 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|1,1,0]=3 103 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|2,1,0]=4 112 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|2,1,0]=4 113 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|1,1,1]=4 120 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|0,0,1]=2 125 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 C#CC=CC CNP0541501.0 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 C#CCC=O CNP0596193.0 [1,0,0,0,0,0|0,0,3]=4 147 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 148 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,0]=2 149 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|1,0,2]=4 151 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 C=CSC=C CNP0525399.0 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CC=CC#N CNP0588304.0 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|0,0,0]=1 159 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|0,0,2]=3 161 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|0,1,1]=3 162 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,2]=3 167 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|1,1,0]=3 170 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,0]=2 174 B4R0.2 O=CCC=O CNP0495847.0 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,2]=4 177 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,0,0,0,0|1,0,1]=3 181 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|0,0,3]=4 182 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|0,0,2]=3 184 B6R0.1 CC(=CC#N)C#N CNP0182038.0 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|0,0,2]=3 187 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|0,1,1]=3 188 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|0,0,3]=4 193 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|0,0,2]=3 195 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|0,0,2]=3 196 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|1,0,2]=4 197 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|0,0,0]=1 198 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|0,0,2]=3 199 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|1,0,2]=4 200 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|0,0,2]=3 202 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|1,0,1]=3 203 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|0,0,2]=3 213 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|1,0,2]=4 214 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|1,0,1]=3 216 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|0,0,0]=1 229 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|0,0,0]=1 230 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|1,0,2]=4 236 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|1,0,2]=4 237 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|0,0,2]=3 238 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|0,0,2]=3 239 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|0,0,2]=3 240 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|0,0,2]=3 241 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|1,0,2]=4 242 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|1,0,2]=4 243 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,2]=4 244 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|0,0,2]=3 245 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|0,0,2]=3 246 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|0,0,2]=3 247 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|0,0,2]=3 248 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,2]=4 250 B6R0.3 CN(N=O)C(=N)N CNP0292736.0 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|1,0,1]=3 260 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,1]=3 261 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,2]=4 263 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|1,0,2]=4 279 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,0,0,0,0|0,0,0]=1 283 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,0,0,0,0|1,0,1]=3 284 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|0,0,2]=3 285 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,0,0,0,0|0,0,2]=3 286 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,1,0,0,0,0|2,0,1]=4 287 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|1,0,2]=4 288 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,1,0,0|2,0,1]=4 289 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,1,0,0|2,0,1]=4 290 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,1,0,0|2,0,1]=4 291 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|1,0,1]=3 292 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|0,0,2]=3 294 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,1,0,0|1,1,0]=3 295 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,0,0,1,0,0|2,0,1]=4 296 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.2 CC1=CN=NS1 CNP0149602.0 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,1,0,0|1,0,1]=3 299 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,0,0,1,0,0|2,0,1]=4 300 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,0,0,1,0,0|2,0,0]=3 301 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|0,0,2]=3 302 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|0,0,2]=3 303 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,1,0,0|0,1,1]=3 304 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,0,0,1,0,0|1,1,1]=4 305 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,1,0,0|1,1,1]=4 306 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|3,0,0]=4 307 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,1,0,0|3,0,0]=4 308 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|1,1,1]=4 309 B6R1.2 CN1C=CC=C1 CNP0084622.0 [0,0,0,1,0,0|2,0,1]=4 310 B6R1.2 CN1C=CN=C1 CNP0492624.0 [0,0,0,1,0,0|2,0,1]=4 311 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|2,0,1]=4 312 B6R1.2 IC1=CNN=C1 CNP0529767.0 [0,0,0,1,0,0|3,0,0]=4 313 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|3,0,0]=4 315 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,0,0,1,0,0|2,0,1]=4 316 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,1,0,0|1,1,1]=4 317 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|0,0,2]=3 318 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|1,0,2]=4 319 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|1,0,2]=4 320 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,0,0,1,0,0|1,0,2]=4 321 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 322 B3R0.1 C=C=CBr CNP0595246.0 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,1]=3 324 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 325 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,1]=3 326 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,0]=2 327 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,0]=3 328 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,1]=3 329 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 330 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,2]=4 331 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,1]=4 332 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 334 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,0]=3 335 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,0]=2 336 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,0]=3 337 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 339 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,1]=3 340 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 341 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,2]=4 342 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 343 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,1]=4 344 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,1]=4 346 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 347 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 348 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 350 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 351 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 352 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 353 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 354 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|1,1,0]=4 355 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,1]=4 356 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,0]=3 358 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,1]=4 359 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,1]=4 360 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,1]=4 362 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,0]=2 363 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,1]=3 364 B3R0.2 C=C(Cl)Cl CNP0573882.0 [2,0,0,0,0,0|2,0,0]=4 365 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 366 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,0]=2 367 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 368 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,0]=3 369 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|1,0,0]=3 370 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|1,0,0]=3 371 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 372 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,2]=4 373 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,1]=4 374 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,1]=4 375 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,2]=4 376 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,1]=4 377 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,1]=4 378 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 379 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|2,0,0]=4 380 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,1]=4 381 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,1]=4 382 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,1]=4 383 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,1]=4 384 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 385 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,1]=4 386 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 387 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 388 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|2,0,0]=4 389 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|2,0,0]=4 390 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|2,0,0]=4 391 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|2,0,0]=4 392 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|2,0,0]=4 393 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,2]=4 395 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,1,0,0,0,0|0,0,0]=2 397 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|0,0,1]=3 398 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|0,0,1]=3 399 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,1]=3 402 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|0,0,1]=3 406 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|0,0,0]=2 409 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|0,0,1]=3 410 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|0,0,1]=3 411 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,1,0,0,0,0|1,0,0]=3 412 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,1]=3 413 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,0,1]=3 414 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|1,0,0]=3 415 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|0,0,2]=4 416 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|0,0,2]=4 417 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,1]=3 418 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|0,0,2]=4 419 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|0,0,1]=3 420 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,1,0,0,0,0|1,1,0]=4 421 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,0]=2 422 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,1,0,0,0,0|1,1,0]=4 427 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|0,0,2]=4 428 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,2]=4 429 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|0,0,1]=3 430 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,1]=3 431 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,1]=3 432 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|0,0,1]=3 436 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,1]=3 437 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,1]=3 440 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,1]=3 441 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|0,0,2]=4 442 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,1]=3 446 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,0,1]=3 448 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [1,1,0,0,0,0|2,0,0]=4 465 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [1,1,0,0,0,0|2,0,0]=4 466 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|0,0,1]=3 467 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|0,0,1]=3 469 B5R0.4 COS(=O)(=O)C CNP0336702.0 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|0,0,0]=2 474 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,1,0,0,0,0|0,0,0]=2 475 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,1,0,0,0,0|0,0,0]=2 476 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|0,0,0]=2 477 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,1]=3 478 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,1]=3 479 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [1,1,0,0,0,0|1,0,0]=3 481 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|1,0,0]=3 482 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,2]=4 486 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|0,0,1]=3 487 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,1]=3 488 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|0,0,0]=2 490 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,1]=3 494 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|0,0,1]=3 495 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,1]=3 498 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,1]=3 499 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|0,0,1]=3 500 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|0,0,1]=3 501 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,1]=3 502 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,1,0,0,0,0|1,1,0]=4 510 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [1,1,0,0,0,0|2,0,0]=4 518 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.2 C=C=CCC=O CNP0509236.0 [1,1,0,0,0,0|0,0,2]=4 521 B5R0.2 C=CC=CC=C CNP0612137.0 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.2 C=CC=CC=O CNP0022566.0 [1,1,0,0,0,0|0,0,1]=3 523 B5R0.2 C=CC=CCC CNP0495438.0 [1,1,0,0,0,0|1,0,0]=3 524 B5R0.2 C=CCC=CC CNP0292090.0 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.2 C=CCCC=O CNP0076959.0 [1,1,0,0,0,0|0,0,2]=4 526 B5R0.2 C=CCOC=O CNP0541341.0 [1,1,0,0,0,0|0,0,2]=4 527 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|0,0,2]=4 528 B5R0.2 CC=C=COC CNP0519318.0 [1,1,0,0,0,0|0,0,2]=4 529 B5R0.2 CC=CC=CC CNP0611428.0 [1,1,0,0,0,0|1,0,0]=3 530 B5R0.2 CC=CCC#N CNP0080085.0 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|0,0,0]=2 532 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|0,0,2]=4 534 B5R0.2 CC=CSSC CNP0214071.0 [1,1,0,0,0,0|1,1,0]=4 535 B5R0.2 CCC=CC#N CNP0080058.0 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|0,0,0]=2 537 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|0,0,2]=4 538 B5R0.2 CCC=CSC CNP0068372.0 [1,1,0,0,0,0|0,1,1]=4 539 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|0,0,2]=4 540 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|0,0,2]=4 541 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|0,0,2]=4 542 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|0,0,2]=4 543 B5R0.2 COC=COC CNP0416791.0 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.2 CSC=CSC CNP0075985.0 [1,1,0,0,0,0|1,1,0]=4 545 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|0,0,2]=4 546 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|0,0,2]=4 547 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|0,0,0]=2 548 B5R0.2 O=CCCC=O CNP0053830.0 [1,1,0,0,0,0|1,0,1]=4 549 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|0,0,2]=4 550 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,2,0,0,0,0|0,0,0]=2 551 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,2,0,0,0,0|0,0,1]=3 553 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|0,0,2]=4 554 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,2,0,0,0,0|0,0,0]=2 555 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|0,0,0]=2 556 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|0,0,1]=3 557 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|0,0,1]=3 558 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|0,0,2]=4 561 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|0,0,2]=4 562 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|0,0,2]=4 563 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|0,0,2]=4 565 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|0,0,2]=4 566 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|0,0,2]=4 567 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,2,0,0,0,0|0,0,2]=4 574 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,2,0,0,0,0|0,0,2]=4 575 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|0,0,2]=4 582 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|0,0,2]=4 584 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|0,0,2]=4 585 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|0,0,2]=4 588 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|0,0,0]=2 589 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|0,0,2]=4 590 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|0,0,0]=2 591 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|0,0,1]=3 594 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|0,0,0]=2 595 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|0,0,2]=4 599 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|0,0,2]=4 600 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|0,0,2]=4 601 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|0,0,2]=4 602 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|0,0,2]=4 603 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|0,0,2]=4 604 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|0,0,2]=4 605 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|0,0,2]=4 607 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,2]=4 608 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|0,0,1]=3 613 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|0,0,0]=2 614 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|0,0,2]=4 616 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|0,0,2]=4 617 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|1,0,0]=3 618 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|0,0,0]=2 621 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|0,0,0]=2 622 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|0,0,2]=4 625 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|0,0,2]=4 626 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|0,0,2]=4 627 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|0,0,2]=4 628 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|0,0,2]=4 629 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|0,0,2]=4 630 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|0,0,1]=3 638 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,2,0,0,0,0|1,0,1]=4 643 B7R0.12 BrCC=C(CBr)CBr CNP0066459.0 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,2,0,0,0,0|1,0,1]=4 646 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,2,0,0,0,0|0,0,0]=2 648 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.12 O=CN[C@H](C=O)CS CNP0344446.1 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.13 C=CC(C)(C)C(=C)C CNP0086467.0 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|0,0,2]=4 652 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|0,0,2]=4 653 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|0,0,2]=4 655 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|0,0,2]=4 656 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|0,0,2]=4 657 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|0,0,0]=2 660 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|0,0,2]=4 662 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,2,0,0,0,0|0,0,2]=4 663 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,2,0,0,0,0|0,0,2]=4 664 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|0,0,2]=4 665 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,2,0,0,0,0|0,0,2]=4 667 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,2,0,0,0,0|1,0,1]=4 668 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|0,0,2]=4 673 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|0,0,2]=4 674 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,2,0,0,0,0|0,0,0]=2 675 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.16 CC(=O)C(=C(Br)Br)Br CNP0266625.0 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.16 CC(=O)C(=C(Br)Br)Cl CNP0369755.0 [0,2,0,0,0,0|2,0,0]=4 678 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,2,0,0,0,0|0,0,1]=3 682 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,2,0,0,0,0|0,0,1]=3 683 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,2,0,0,0,0|1,0,1]=4 692 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,2,0,0,0,0|0,0,2]=4 695 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,2,0,0,0,0|0,0,2]=4 696 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,2,0,0,0,0|0,0,2]=4 697 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,2,0,0,0,0|0,0,2]=4 698 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,2,0,0,0,0|2,0,0]=4 702 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,0]=3 703 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|0,0,1]=3 704 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,1,0,0|1,0,0]=3 705 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 706 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|0,0,2]=4 707 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,1,0,0|1,0,1]=4 708 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,1]=4 709 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,1,0,0|2,0,0]=4 710 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,1,0,0|0,0,2]=4 711 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,2]=4 712 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,1,0,0|1,0,1]=4 713 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,1,0,0|0,1,1]=4 714 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,1,1]=4 715 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,1,0,0|1,1,0]=4 716 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|1,1,0]=4 717 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,1,0,1,0,0|0,0,2]=4 719 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,1,0,1,0,0|0,1,1]=4 720 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,1,0,1,0,0|0,0,2]=4 721 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,1,0,1,0,0|0,1,1]=4 723 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,1,0,0|0,0,2]=4 724 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,1,0,0|0,0,2]=4 725 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,1,0,0|0,0,2]=4 726 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,1,0,0|0,0,2]=4 727 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,1,0,0|0,0,2]=4 728 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,1,0,1,0,0|0,0,2]=4 730 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,1,0,1,0,0|0,1,1]=4 731 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,1,0,0|0,0,2]=4 732 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,1,0,1,0,0|1,1,0]=4 734 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|0,0,1]=3 735 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|1,0,1]=4 737 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|0,1,1]=4 738 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,1,0,0|1,1,0]=4 739 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,1,0,1,0,0|1,0,0]=3 740 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|0,0,0]=2 743 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,1,0,1,0,0|1,0,0]=3 745 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,1,0,1,0,0|1,0,0]=3 746 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,1,0,1,0,0|1,0,0]=3 747 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,1,0,1,0,0|2,0,0]=4 749 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,1,0,0|0,0,1]=3 750 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,1,0,1,0,0|0,0,1]=3 751 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,1,0,1,0,0|0,1,0]=3 752 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,1,0,1,0,0|0,1,0]=3 753 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,1,0,1,0,0|2,0,0]=4 754 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,1,0,1,0,0|1,0,1]=4 756 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|0,0,2]=4 757 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|0,0,2]=4 758 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|0,0,2]=4 759 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,2]=4 760 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,2]=4 761 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,1,0,0|1,0,1]=4 763 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,1,0,0|1,0,1]=4 764 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,1,0,0|1,0,1]=4 765 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|1,0,1]=4 766 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|1,0,1]=4 767 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|1,0,1]=4 768 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|1,0,1]=4 769 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,1,0,1,0,0|1,0,1]=4 773 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,1,0,1,0,0|1,0,1]=4 774 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|1,0,1]=4 775 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,1,0,1,0,0|1,0,1]=4 776 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,1,0,1,0,0|1,0,1]=4 777 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,1,0,1,0,0|1,0,1]=4 778 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,1,0,0|1,0,0]=3 779 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|1,0,1]=4 780 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,1,0,1,0,0|1,0,1]=4 781 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|0,0,2]=4 782 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,1,0,1,0,0|0,1,1]=4 783 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,1,0,1,0,0|0,1,1]=4 784 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|1,0,1]=4 785 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|0,1,1]=4 786 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|0,1,1]=4 787 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,1,0,0|0,0,1]=3 788 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,1,0,1,0,0|0,0,1]=3 789 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,1,0,0|0,1,0]=3 790 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,1,0,1,0,0|0,1,0]=3 791 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|0,0,0]=2 792 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|0,0,0]=2 793 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,1,0,1,0,0|0,1,0]=3 795 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|1,0,0]=3 797 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,2]=4 798 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,0,2]=4 799 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|0,0,2]=4 802 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,2]=4 803 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|0,0,2]=4 804 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|0,0,2]=4 805 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,2]=4 806 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|0,0,2]=4 807 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,1,0,1,0,0|0,0,2]=4 814 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,1,0,1,0,0|0,0,2]=4 815 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|0,0,2]=4 817 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|1,0,1]=4 820 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,2,0,0|0,0,2]=4