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|0,0,2]=2 2 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CC(=NO)CO CNP0284253.0 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CC(CO)CO CNP0282467.0 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,0,0,0,0,0|0,0,2]=2 13 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,0,0,0,0|0,1,1]=2 16 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,0,0,0,0|1,0,3]=4 19 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,0,0,0,0|0,1,1]=2 24 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 CCC(N)NC CNP0278870.0 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 CCC(O)CCl CNP0366953.0 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.3 CCC(O)CO CNP0534149.0 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.3 CCC(S)CS CNP0197461.0 [0,0,0,0,0,0|1,1,1]=3 30 B5R0.3 CCC(S)SC CNP0609154.0 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,0,0,0,0,0|0,0,0]=0 32 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,0,0,0,0|0,0,2]=2 33 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,0,0,0,0,0|1,0,1]=2 34 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,0,0,0,0,0|0,0,0]=0 35 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,0,0,0,0|0,0,2]=2 37 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.3 CN(C=O)CO CNP0412364.0 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.3 COC(C)OC CNP0122626.0 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 CSC(C)SC CNP0610569.0 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.3 NC(CO)CO CNP0535001.0 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.3 OC(CI)CI CNP0161531.0 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.3 OC(CP)CP CNP0345632.0 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.3 OCC(O)CCl CNP0334066.0 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.3 OCC(O)CO CNP0259986.0 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.3 PCC(P)CP CNP0345634.0 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,0,0,0,0|0,0,3]=4 62 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|0,0,2]=3 66 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|0,0,1]=2 67 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|0,0,3]=4 70 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|0,0,3]=4 71 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|0,0,0]=1 88 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|0,0,0]=1 89 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|0,0,2]=3 91 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|0,1,1]=3 92 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|1,1,0]=3 96 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,1]=4 98 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|0,0,1]=2 100 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,1]=2 108 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|0,0,1]=2 112 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|0,1,0]=2 113 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|0,0,1]=2 114 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|1,1,0]=3 116 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,1,0]=4 119 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|1,1,0]=3 128 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,0]=2 134 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,0]=2 137 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|0,0,1]=2 141 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 C#CCC=O CNP0596193.0 [1,0,0,0,0,0|0,0,2]=3 161 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 C=CCC#N CNP0498043.0 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,0]=2 168 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|0,0,2]=3 177 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 178 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|0,0,3]=4 182 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,2]=4 183 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,1]=3 184 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,0]=1 185 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,1]=3 186 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,1]=3 187 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,1]=3 188 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,2]=3 189 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|0,1,1]=3 190 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|1,1,1]=4 195 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|2,0,1]=4 200 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|3,0,0]=4 202 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|1,1,1]=4 203 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,2]=4 205 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,2]=4 207 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,0]=2 209 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,2]=4 210 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|3,0,0]=4 211 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,0]=2 214 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,2]=4 216 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,1]=4 217 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,2]=4 218 B4R0.2 O=CCC=O CNP0495847.0 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,0]=2 220 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,2]=4 222 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,2]=4 223 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,2]=4 224 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|1,1,1]=4 225 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,1,0,0,0,0|0,0,3]=4 229 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|0,0,1]=2 234 B6R0.1 C=C[C@@H](O)CC#N CNP0276029.1 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|0,0,1]=2 244 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|0,0,0]=1 245 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|0,0,0]=1 246 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|0,0,0]=1 247 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|1,0,0]=2 248 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|0,0,1]=2 249 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|0,0,3]=4 250 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|1,0,2]=4 251 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|0,0,0]=1 254 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|0,0,2]=3 256 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|0,0,2]=3 260 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|2,0,0]=3 261 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|1,0,1]=3 263 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|0,0,2]=3 269 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,1,0,0,0,0|0,1,1]=3 270 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|1,1,0]=3 271 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|0,0,2]=3 272 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,1,0,0,0,0|0,1,1]=3 273 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|1,0,2]=4 276 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,1,0,0,0,0|1,0,2]=4 283 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|0,0,2]=3 285 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|1,0,2]=4 286 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|1,0,2]=4 287 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,1,0,0,0,0|1,0,2]=4 289 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,1,0,0,0,0|1,0,2]=4 290 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,0,1]=3 293 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|0,0,2]=3 294 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|1,0,0]=2 297 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|0,0,2]=3 302 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|0,0,2]=3 303 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|0,0,2]=3 304 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|1,0,2]=4 305 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|1,0,0]=2 309 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|0,0,0]=1 314 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|0,0,0]=1 315 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|0,0,0]=1 316 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|0,0,0]=1 317 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|0,0,2]=3 318 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|0,0,2]=3 319 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|1,0,0]=2 321 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|0,0,0]=1 323 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|0,0,0]=1 324 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|0,0,0]=1 325 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|0,0,0]=1 326 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|1,0,1]=3 327 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|0,0,2]=3 328 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|1,0,0]=2 329 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,0]=2 330 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,1,0,0,0,0|3,0,0]=4 331 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|1,0,0]=2 338 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|1,0,0]=2 339 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,0]=2 343 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|0,0,2]=3 344 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|1,0,0]=2 346 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|1,0,2]=4 348 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,0]=2 351 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|2,0,0]=3 352 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|1,0,2]=4 353 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|2,0,0]=3 367 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|2,0,0]=3 368 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|2,0,0]=3 371 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|2,0,0]=3 372 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|1,0,0]=2 379 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,1,0,0,0,0|1,0,2]=4 380 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,1,0,0,0,0|1,0,1]=3 381 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,1,0,0,0,0|1,0,1]=3 383 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,1,0,0,0,0|0,0,2]=3 384 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,1,0,0,0,0|1,0,1]=3 385 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,1,0,0,0,0|1,0,1]=3 386 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,1,0,0,0,0|1,0,0]=2 387 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,1,0,0,0,0|2,0,0]=3 389 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,0,0,0,0|1,0,0]=2 390 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,0,0,0,0|0,0,1]=2 391 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,0,0,0,0|1,0,1]=3 392 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|1,0,1]=3 393 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,1,0,0,0,0|1,0,1]=3 394 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,0,0,0,0|0,0,0]=1 395 B6R0.9 CCC(CC)CC CNP0205695.0 [0,1,0,0,0,0|1,0,1]=3 396 B6R0.9 CCC(CC)SC CNP0410895.0 [0,1,0,0,0,0|1,0,1]=3 397 B6R0.9 CCC(OC)OC CNP0171881.0 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.9 CCN(CC)CC CNP0209343.0 [0,1,0,0,0,0|2,0,1]=4 399 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.9 CCP(CC)CC CNP0368013.0 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.9 COC(CO)CO CNP0242404.0 [0,1,0,0,0,0|1,0,2]=4 402 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|1,0,2]=4 403 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|1,0,1]=3 404 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|2,0,1]=4 405 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|2,0,1]=4 406 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|0,0,2]=3 407 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,1,0,0|1,1,1]=4 408 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|2,0,0]=3 409 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|2,0,1]=4 410 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|1,0,1]=3 411 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|2,0,0]=3 412 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|3,0,0]=4 413 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|3,0,0]=4 414 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|2,0,1]=4 415 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|2,0,0]=3 416 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,1,0,0|3,0,0]=4 417 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,0]=3 418 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|0,1,1]=3 419 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,1,0,0|3,0,0]=4 420 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|3,0,0]=4 421 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|2,0,0]=3 422 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|2,0,1]=4 423 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|2,0,1]=4 424 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|2,0,1]=4 425 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|3,0,0]=4 426 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,1,0,0|3,0,0]=4 427 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|0,0,0]=1 428 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|0,1,1]=3 429 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|2,0,0]=3 430 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|1,0,1]=3 431 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|1,0,2]=4 432 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|1,0,0]=2 433 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,0,0,1,0,0|1,0,2]=4 434 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 435 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 436 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 437 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 438 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 439 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 440 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,2]=4 441 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,1]=3 442 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|1,0,1]=4 444 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|1,0,1]=4 445 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 447 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 448 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 449 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,1]=4 450 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,0]=2 452 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,0]=3 453 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 454 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,0]=2 455 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 456 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 457 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,1]=3 458 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,0]=3 459 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,0]=3 460 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 461 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,0]=3 462 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,0]=3 464 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,1]=4 465 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 466 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 467 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 468 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 469 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 470 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 471 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 472 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 473 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 474 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 475 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,0]=3 476 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 477 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,1]=4 478 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,1,0]=4 479 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 480 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 481 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,1]=4 482 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,0]=3 483 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 484 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,0]=3 485 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,1]=4 486 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,1]=4 487 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,1]=4 488 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,1]=4 489 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|1,1,0]=4 490 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,1]=3 491 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,1]=4 492 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,1]=3 493 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,1]=4 494 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,1]=4 495 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|1,0,1]=4 496 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|1,0,1]=4 497 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,1]=3 498 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 499 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 500 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,1]=3 501 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,0]=3 502 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,1]=4 503 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 504 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 510 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,1]=4 511 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 512 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 513 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|2,0,0]=4 514 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,1]=3 515 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,1,0,0,0,0|0,0,2]=4 517 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|0,0,1]=3 518 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|0,0,1]=3 519 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,2]=4 522 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,0]=3 523 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,0,2]=4 524 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|0,0,1]=3 527 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|0,0,2]=4 528 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|0,1,1]=4 529 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,1]=3 530 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,0,1]=3 531 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|0,0,1]=3 533 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|0,0,1]=3 534 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|0,0,2]=4 535 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,0]=2 536 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|0,0,1]=3 537 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|0,0,1]=3 538 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|0,0,1]=3 539 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|0,0,2]=4 540 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|0,0,1]=3 541 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,1,0,0,0,0|0,1,1]=4 542 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|0,0,0]=2 543 B5R0.1 CC(C)ON=N CNP0504626.0 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,0,1]=3 545 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|0,1,0]=3 546 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,2]=4 547 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,2]=4 549 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|0,0,2]=4 550 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,2]=4 551 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,1]=3 552 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|0,0,1]=3 556 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|0,1,0]=3 557 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|0,0,1]=3 559 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|0,0,1]=3 560 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|0,0,1]=3 561 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,1]=3 562 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|0,0,1]=3 565 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,1]=3 566 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,1]=3 567 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|0,0,1]=3 568 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|0,1,0]=3 569 B5R0.1 CN(C)CCCl CNP0328789.0 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|1,0,0]=3 572 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|1,0,1]=4 575 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|0,0,1]=3 576 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,1]=3 577 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|0,0,1]=3 579 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,0,1]=3 580 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|0,0,1]=3 582 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|0,0,2]=4 585 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|1,0,0]=3 586 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,1]=3 587 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,1]=3 588 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|2,0,0]=4 594 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.4 C#CC(C)(C)O CNP0277501.0 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|1,0,0]=3 599 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [1,1,0,0,0,0|2,0,0]=4 600 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [1,1,0,0,0,0|2,0,0]=4 601 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|0,0,0]=2 602 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|1,0,0]=3 603 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.4 CC(C)(O)C#N CNP0157587.0 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|0,0,0]=2 606 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|0,1,1]=4 609 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|0,0,1]=3 610 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|0,0,1]=3 611 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|0,0,1]=3 612 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|0,0,1]=3 613 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|2,0,0]=4 614 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [1,1,0,0,0,0|2,0,0]=4 615 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|0,1,1]=4 616 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.4 COS(=O)(=O)C CNP0336702.0 [1,1,0,0,0,0|2,0,0]=4 618 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|2,0,0]=4 620 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [1,1,0,0,0,0|2,0,0]=4 621 B5R0.4 O=CC(Br)(Br)Br CNP0335672.0 [1,1,0,0,0,0|2,0,0]=4 622 B5R0.4 O=CC(Cl)(Cl)Cl CNP0323670.0 [1,1,0,0,0,0|2,0,0]=4 623 B5R0.4 O=CC(I)(I)I CNP0246473.0 [1,1,0,0,0,0|2,0,0]=4 624 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|0,0,2]=4 625 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|0,0,2]=4 626 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,1,0,0,0,0|0,0,2]=4 627 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,1,0,0,0,0|0,0,2]=4 628 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|0,0,2]=4 629 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,1]=3 630 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,1]=3 631 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,1]=3 632 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|1,0,1]=4 633 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,2]=4 634 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|1,0,1]=4 635 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|0,0,2]=4 636 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|1,0,1]=4 637 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|1,0,1]=4 638 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|1,0,1]=4 639 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,0]=2 640 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|0,0,1]=3 641 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|1,0,1]=4 642 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,0]=3 643 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,1]=3 644 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,1]=3 645 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|0,0,0]=2 646 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|0,0,0]=2 647 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,0]=2 648 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|0,0,1]=3 649 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,1]=4 650 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|0,0,1]=3 651 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|0,0,1]=3 652 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|0,0,1]=3 653 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|0,0,1]=3 654 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|1,0,0]=3 655 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|1,0,0]=3 656 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|1,0,0]=3 657 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|1,0,0]=3 659 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|1,0,0]=3 660 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|0,0,1]=3 661 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|0,1,0]=3 662 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|2,0,0]=4 663 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,1,0,0,0,0|1,1,0]=4 664 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|1,0,0]=3 665 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|1,0,0]=3 666 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|0,0,1]=3 667 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|1,0,0]=3 668 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|1,0,0]=3 669 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,1,0,0,0,0|1,0,1]=4 670 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|0,0,1]=3 671 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|0,0,1]=3 672 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|1,0,0]=3 673 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [1,1,0,0,0,0|2,0,0]=4 674 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.5 NC(=O)C(I)I CNP0182681.0 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|2,0,0]=4 678 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,1,0,0,0,0|2,0,0]=4 679 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,1,0,0,0,0|2,0,0]=4 680 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,1,0,0,0,0|2,0,0]=4 681 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|2,0,0]=4 682 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,1,0,0,0,0|2,0,0]=4 683 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,1,0,0,0,0|2,0,0]=4 684 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,1,0,0,0,0|2,0,0]=4 685 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,1,0,0,0,0|2,0,0]=4 686 B5R0.2 C=C=CCC=O CNP0509236.0 [1,1,0,0,0,0|0,0,2]=4 687 B5R0.2 C=CC=CCC CNP0495438.0 [1,1,0,0,0,0|1,0,1]=4 688 B5R0.2 C=CCC=CC CNP0292090.0 [1,1,0,0,0,0|1,0,1]=4 689 B5R0.2 C=CCCC#N CNP0248596.0 [1,1,0,0,0,0|1,0,1]=4 690 B5R0.2 C=CCCC=C CNP0079781.0 [1,1,0,0,0,0|1,0,1]=4 691 B5R0.2 C=CCCC=O CNP0076959.0 [1,1,0,0,0,0|0,0,1]=3 692 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,0]=3 694 B5R0.2 C=CCOC=O CNP0541341.0 [1,1,0,0,0,0|0,0,2]=4 695 B5R0.2 C=CCSCC CNP0261096.0 [1,1,0,0,0,0|1,0,0]=3 696 B5R0.2 C=CCSSC CNP0333880.0 [1,1,0,0,0,0|2,0,0]=4 697 B5R0.2 C=CSSCC CNP0003136.0 [1,1,0,0,0,0|2,0,0]=4 698 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|0,0,1]=3 699 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,0]=3 700 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|1,0,1]=4 701 B5R0.2 CCC=CC#N CNP0080058.0 [1,1,0,0,0,0|1,0,1]=4 702 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|0,0,1]=3 703 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|0,0,2]=4 704 B5R0.2 CCC=CSC CNP0068372.0 [1,1,0,0,0,0|0,1,1]=4 705 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|0,0,2]=4 706 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|0,0,1]=3 707 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|0,0,1]=3 708 B5R0.2 CCCCC#N CNP0357663.0 [1,1,0,0,0,0|1,0,1]=4 709 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|0,0,0]=2 710 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|1,0,1]=4 711 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|1,0,1]=4 712 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|1,0,1]=4 713 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|1,0,1]=4 714 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|0,0,2]=4 715 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|0,1,1]=4 716 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|0,0,2]=4 718 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|0,1,1]=4 719 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,1,0,0,0,0|0,0,1]=3 720 B5R0.2 CCCN=C=S CNP0077279.0 [1,1,0,0,0,0|0,1,1]=4 721 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|0,0,0]=2 722 B5R0.2 CCCSC#N CNP0395197.0 [1,1,0,0,0,0|1,0,1]=4 723 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|1,0,1]=4 724 B5R0.2 CCCSSC CNP0296815.0 [1,1,0,0,0,0|1,1,0]=4 725 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|1,0,1]=4 726 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|0,0,2]=4 727 B5R0.2 CCOCC#N CNP0184632.0 [1,1,0,0,0,0|1,0,1]=4 728 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|0,0,2]=4 729 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|1,0,1]=4 730 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|2,0,0]=4 731 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|2,0,0]=4 732 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|0,0,0]=2 733 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|1,0,1]=4 734 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|0,0,2]=4 735 B5R0.2 N#CCCC=O CNP0181263.0 [1,1,0,0,0,0|0,0,1]=3 736 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|1,0,1]=4 737 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|0,0,0]=2 738 B5R0.2 NCCCCN CNP0116270.0 [1,1,0,0,0,0|1,0,1]=4 739 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|0,0,2]=4 740 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|0,0,2]=4 741 B5R0.2 O=CCCC=O CNP0053830.0 [1,1,0,0,0,0|0,0,1]=3 742 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|0,0,2]=4 743 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|0,0,2]=4 744 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|0,0,2]=4 745 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,1,0,0,0,0|1,0,1]=4 746 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,2,0,0,0,0|0,0,1]=3 748 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,2,0,0,0,0|1,0,1]=4 749 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,2,0,0,0,0|0,0,1]=3 750 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|0,0,0]=2 757 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,2,0,0,0,0|0,0,2]=4 759 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|0,0,2]=4 760 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|0,0,1]=3 761 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|0,0,1]=3 762 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|0,0,0]=2 765 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|0,0,0]=2 766 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|0,0,0]=2 767 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|0,0,0]=2 768 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|0,0,0]=2 769 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|0,0,0]=2 770 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,2,0,0,0,0|0,1,0]=3 772 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,2,0,0,0,0|0,1,0]=3 773 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|0,0,0]=2 774 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|2,0,0]=4 785 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|2,0,0]=4 786 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,2,0,0,0,0|0,0,2]=4 790 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|1,0,0]=3 792 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,2,0,0,0,0|2,0,0]=4 795 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|0,0,2]=4 797 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|0,0,2]=4 799 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|0,0,0]=2 800 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|0,0,2]=4 803 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,2,0,0,0,0|1,0,0]=3 804 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,2,0,0,0,0|0,1,0]=3 809 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,2,0,0,0,0|0,1,0]=3 810 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,2,0,0,0,0|1,1,0]=4 811 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,1]=4 812 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,2,0,0,0,0|0,1,1]=4 813 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,2,0,0,0,0|1,0,0]=3 815 B7R0.3 NC(C=O)CSN=O CNP0293255.0 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|0,0,2]=4 822 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|0,0,2]=4 823 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|0,0,1]=3 824 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|1,0,0]=3 825 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,2,0,0,0,0|1,0,1]=4 827 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|0,0,2]=4 828 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|0,0,2]=4 829 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|0,0,2]=4 830 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|0,0,1]=3 832 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|0,0,1]=3 833 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|0,0,0]=2 837 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|0,0,0]=2 838 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|0,0,0]=2 839 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|0,0,0]=2 840 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|0,0,0]=2 843 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|0,0,0]=2 844 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|0,0,0]=2 845 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,2,0,0,0,0|1,0,0]=3 847 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|1,0,0]=3 848 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,0]=3 849 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|0,0,0]=2 851 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|1,0,0]=3 853 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|1,0,0]=3 854 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|1,0,0]=3 855 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|1,0,0]=3 856 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,0]=2 857 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,0]=2 858 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|1,0,0]=3 859 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,2,0,0,0,0|2,0,0]=4 862 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|1,0,0]=3 863 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|1,0,0]=3 864 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,2,0,0,0,0|2,0,0]=4 865 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,2,0,0,0,0|1,0,1]=4 866 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|1,0,0]=3 867 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|1,0,0]=3 868 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|1,0,0]=3 869 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,2,0,0,0,0|2,0,0]=4 870 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,2,0,0,0,0|2,0,0]=4 871 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,2,0,0,0,0|2,0,0]=4 872 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,2,0,0,0,0|2,0,0]=4 873 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,2,0,0,0,0|1,0,1]=4 874 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|1,0,0]=3 875 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|1,0,0]=3 876 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,2,0,0,0,0|2,0,0]=4 877 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|1,0,1]=4 878 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|1,0,0]=3 879 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|1,0,1]=4 880 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|0,0,1]=3 881 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|0,0,2]=4 882 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|1,0,0]=3 883 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,2,0,0,0,0|2,0,0]=4 884 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|1,0,1]=4 885 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|0,0,0]=2 886 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|1,0,1]=4 887 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|0,0,2]=4 888 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|1,0,1]=4 889 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|0,0,2]=4 890 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|1,0,1]=4 893 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|1,1,0]=4 894 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|0,0,0]=2 895 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|0,0,2]=4 896 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|0,0,2]=4 897 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|0,0,0]=2 900 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|0,0,0]=2 901 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|0,0,0]=2 902 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|1,0,0]=3 903 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|0,0,0]=2 904 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|0,0,2]=4 905 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|0,0,0]=2 906 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|1,0,1]=4 907 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|0,0,2]=4 908 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|0,0,0]=2 909 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|0,0,2]=4 910 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,0]=3 911 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,0]=3 912 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|1,0,0]=3 913 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|2,0,0]=4 914 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,2,0,0,0,0|2,0,0]=4 915 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|2,0,0]=4 916 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|0,0,1]=3 917 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,2,0,0,0,0|2,0,0]=4 918 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|2,0,0]=4 919 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,2,0,0,0,0|2,0,0]=4 920 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,2,0,0,0,0|2,0,0]=4 921 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,2,0,0,0,0|1,0,0]=3 922 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|2,0,0]=4 923 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|2,0,0]=4 924 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|1,0,0]=3 925 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|1,0,1]=4 926 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|1,0,1]=4 927 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,0,1]=4 928 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,2,0,0,0,0|2,0,0]=4 929 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|1,0,1]=4 930 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,2,0,0,0,0|1,0,1]=4 931 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,2,0,0,0,0|1,0,0]=3 932 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|1,0,1]=4 933 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|1,0,0]=3 934 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,2,0,0,0,0|1,0,0]=3 935 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,2,0,0,0,0|0,0,1]=3 936 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,2,0,0,0,0|1,1,0]=4 937 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,2,0,0,0,0|1,0,1]=4 938 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|1,0,1]=4 939 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|1,0,1]=4 940 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|0,0,2]=4 941 B7R0.12 O=CN[C@H](C=O)CS CNP0344446.1 [0,2,0,0,0,0|1,0,1]=4 942 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,2,0,0,0,0|1,0,0]=3 943 B7R0.13 C=CC(C)(C)C(=C)C CNP0086467.0 [0,2,0,0,0,0|1,0,1]=4 944 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [0,2,0,0,0,0|1,0,0]=3 945 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,2,0,0,0,0|1,0,0]=3 946 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,2,0,0,0,0|1,0,0]=3 947 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|0,0,0]=2 948 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|0,0,0]=2 950 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,2,0,0,0,0|0,0,0]=2 951 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|0,0,0]=2 952 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|0,0,0]=2 953 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|0,0,0]=2 954 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|1,0,0]=3 955 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,2,0,0,0,0|1,0,0]=3 957 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,2,0,0,0,0|1,0,0]=3 958 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,2,0,0,0,0|1,0,1]=4 959 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|0,0,2]=4 960 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,2,0,0,0,0|0,0,2]=4 961 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|0,0,0]=2 962 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,2,0,0,0,0|0,0,0]=2 963 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,2,0,0,0,0|0,0,0]=2 964 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|0,0,0]=2 965 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|1,0,1]=4 966 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|0,0,0]=2 967 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [0,2,0,0,0,0|1,0,0]=3 968 B7R0.15 CCN(CC)C(=S)S CNP0539176.0 [0,2,0,0,0,0|1,1,0]=4 969 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,2,0,0,0,0|0,0,0]=2 970 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,2,0,0,0,0|1,0,0]=3 971 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|1,0,0]=3 972 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,2,0,0,0,0|1,0,0]=3 973 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,2,0,0,0,0|1,0,0]=3 975 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,2,0,0,0,0|1,0,0]=3 976 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,2,0,0,0,0|1,0,0]=3 977 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|0,0,2]=4 978 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|0,0,2]=4 979 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,2,0,0,0,0|0,0,2]=4 980 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,2,0,0,0,0|1,0,1]=4 981 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,2,0,0,0,0|0,0,1]=3 982 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,2,0,0,0,0|0,0,1]=3 983 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,2,0,0,0,0|1,0,0]=3 984 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,2,0,0,0,0|1,0,1]=4 985 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,2,0,0,0,0|1,0,0]=3 986 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,2,0,0,0,0|1,0,0]=3 987 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,2,0,0,0,0|1,0,0]=3 988 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,2,0,0,0,0|1,0,1]=4 989 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,2,0,0,0,0|1,0,1]=4 990 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,2,0,0,0,0|1,0,1]=4 991 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|1,0,1]=4 993 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|1,0,0]=3 994 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,2,0,0,0,0|1,0,0]=3 995 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,0]=3 996 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|1,0,0]=3 997 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,0]=3 998 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,2,0,0,0,0|1,0,0]=3 999 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,2,0,0,0,0|1,0,0]=3 1000 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,2,0,0,0,0|1,0,0]=3 1001 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,2,0,0,0,0|1,0,1]=4 1002 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,2,0,0,0,0|1,0,0]=3 1003 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,2,0,0,0,0|1,0,0]=3 1004 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,2,0,0,0,0|1,0,0]=3 1005 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|1,0,1]=4 1006 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,2,0,0,0,0|1,0,0]=3 1007 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,2,0,0,0,0|0,0,0]=2 1008 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,2,0,0,0,0|1,0,0]=3 1009 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,2,0,0,0,0|1,0,0]=3 1010 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,2,0,0,0,0|1,0,0]=3 1011 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,2,0,0,0,0|1,0,0]=3 1012 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,2,0,0,0,0|1,0,0]=3 1013 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,2,0,0,0,0|1,0,0]=3 1014 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,2,0,0,0,0|1,0,0]=3 1015 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,2,0,0,0,0|1,0,0]=3 1016 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,2,0,0,0,0|0,0,0]=2 1017 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,2,0,0,0,0|1,0,0]=3 1018 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,2,0,0,0,0|1,0,0]=3 1019 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,2,0,0,0,0|0,0,0]=2 1020 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,2,0,0,0,0|1,0,0]=3 1021 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,2,0,0,0,0|0,0,0]=2 1022 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,2,0,0,0,0|1,0,0]=3 1023 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,2,0,0,0,0|1,0,0]=3 1024 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,2,0,0,0,0|1,0,0]=3 1025 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,2,0,0,0,0|1,0,0]=3 1026 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|1,0,0]=3 1027 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|0,0,1]=3 1028 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,0]=3 1029 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,1]=4 1030 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|0,0,1]=3 1031 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|1,0,1]=4 1032 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 1033 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,0,1]=4 1034 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,0,1]=4 1035 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|0,0,2]=4 1036 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|1,0,1]=4 1037 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|0,0,1]=3 1038 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|0,1,0]=3 1039 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|0,0,2]=4 1040 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,0]=3 1041 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|2,0,0]=4 1042 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,1]=4 1043 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,2]=4 1044 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,1,1]=4 1045 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,0]=3 1046 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,0]=3 1047 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|1,0,1]=4 1048 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,1]=4 1049 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|0,0,2]=4 1050 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,0,1]=4 1051 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|0,1,1]=4 1052 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|1,1,0]=4 1053 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,1,0,0|2,0,0]=4 1054 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|1,0,1]=4 1055 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|1,0,1]=4 1056 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|2,0,0]=4 1057 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|1,0,1]=4 1058 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,1,0,0|1,0,0]=3 1059 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,1,0,0|2,0,0]=4 1060 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,1,0,1,0,0|2,0,0]=4 1061 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|0,0,2]=4 1062 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|0,0,2]=4 1063 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|0,0,2]=4 1064 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|0,0,2]=4 1065 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|0,0,1]=3 1066 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|1,0,1]=4 1067 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|1,0,1]=4 1068 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|0,1,1]=4 1069 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|0,0,2]=4 1070 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,1,0,0|2,0,0]=4 1071 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|2,0,0]=4 1072 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|2,0,0]=4 1073 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,1,0,0|2,0,0]=4 1074 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|0,0,1]=3 1075 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|0,0,2]=4 1076 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,0]=3 1077 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|0,0,0]=2 1078 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|0,0,0]=2 1079 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|0,0,2]=4 1080 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|1,0,1]=4 1081 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|1,0,0]=3 1082 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|1,0,0]=3 1083 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,0]=2 1084 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|1,0,1]=4 1085 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,0,1]=4 1086 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,0]=3 1087 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,1,0,1,0,0|1,1,0]=4 1088 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,0]=2 1089 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,0]=3 1090 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,1,0,1,0,0|1,1,0]=4 1091 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|1,0,1]=4 1092 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|1,0,1]=4 1093 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|1,0,1]=4 1094 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|1,0,1]=4 1095 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|1,0,0]=3 1096 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|1,0,0]=3 1097 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|2,0,0]=4 1098 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|2,0,0]=4 1099 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|2,0,0]=4 1100 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|2,0,0]=4 1101 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|1,0,1]=4 1102 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|1,0,1]=4 1103 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|1,0,1]=4 1104 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|1,0,1]=4 1105 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,0,1]=4 1106 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|1,0,1]=4 1107 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|0,0,2]=4 1108 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|1,1,0]=4 1109 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|1,0,0]=3 1110 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|1,0,1]=4 1111 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,1,0,1,0,0|1,1,0]=4 1112 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|2,0,0]=4 1113 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|1,0,1]=4 1114 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,1,0,1,0,0|1,1,0]=4 1115 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|2,0,0]=4 1116 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|2,0,0]=4 1117 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|2,0,0]=4 1118 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|0,0,2]=4 1119 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|2,0,0]=4 1120 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|1,0,1]=4 1121 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|0,1,1]=4 1122 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|0,1,1]=4 1123 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|0,0,1]=3 1124 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|0,0,2]=4 1125 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|1,0,1]=4 1126 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,0]=2 1127 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|0,0,2]=4 1128 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|0,1,1]=4 1129 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,0,0]=2 1130 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|0,0,2]=4 1131 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|0,1,1]=4 1132 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,1]=4 1133 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|1,0,0]=3 1134 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,1,0,1,0,0|1,0,1]=4 1135 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|0,0,0]=2 1136 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|1,0,1]=4 1137 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|1,0,1]=4 1138 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|0,0,2]=4 1139 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,0]=2 1140 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|0,1,1]=4 1141 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|0,0,0]=2 1142 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|0,0,0]=2 1143 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|1,0,1]=4 1144 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,0]=2 1145 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|0,0,0]=2 1146 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|1,0,0]=3 1147 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|2,0,0]=4 1148 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|1,0,0]=3 1149 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|1,0,0]=3 1150 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|2,0,0]=4 1151 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,1]=4 1152 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|1,0,1]=4 1153 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,0]=3 1154 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,0]=3 1155 B7R1.5 C=C1C[C@@H]1CC#N CNP0326254.1 [0,1,0,1,0,0|1,0,1]=4 1156 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|2,0,0]=4 1157 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|0,0,2]=4 1158 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|1,0,0]=3 1159 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|1,0,1]=4 1160 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,1,0,1,0,0|0,0,2]=4 1161 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,1,0,1,0,0|0,0,2]=4 1162 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,1,0,1,0,0|1,0,1]=4 1163 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|0,0,0]=2 1164 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|1,0,0]=3 1165 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|1,0,0]=3 1166 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|1,0,0]=3 1167 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,1,0,1,0,0|1,0,0]=3 1168 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|1,0,1]=4 1169 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|1,0,1]=4 1170 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|2,0,0]=4 1171 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|1,1,0]=4 1172 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|1,0,1]=4