0 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,0,0,0,0,0|2,1,1]=4 13 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,0,0,0,0,0|1,1,1]=3 27 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 CN(C)C(=S)S[Na] CNP0002679.0 [0,0,0,0,0,0|2,2,0]=4 32 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,0,0,0,0,0|2,1,0]=3 35 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,0,0,0,0|1,0,1]=2 36 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,0,0,0,0|0,0,0]=0 40 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,0,0,0,0,0|1,0,0]=1 41 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,0,0,0,0|1,0,0]=1 42 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,0,0,0,0,0|1,0,0]=1 44 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,0,0,0,0|1,0,0]=1 45 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,0,0,0,0,0|0,1,0]=1 46 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,0,0,0,0,0|1,1,1]=3 48 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|0,0,1]=2 91 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|0,1,1]=3 92 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|1,1,0]=3 93 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,0,0,0,0|0,0,2]=3 94 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|0,0,2]=3 98 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|0,0,0]=1 106 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|0,1,0]=2 107 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|0,2,1]=4 112 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.3 CNC(=N)NC CNP0404528.0 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.3 NCC(=O)NO CNP0470573.0 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,0,0,0,0|0,0,2]=3 133 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,0,0|0,0,2]=3 136 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,0,0|0,0,2]=3 144 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,0,0|0,0,0]=1 150 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,0,0|1,0,0]=2 155 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,0,0|1,0,0]=2 156 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,0,0|1,0,0]=2 157 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,0,0|0,0,0]=1 158 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,0,0,0,0,0|0,1,1]=3 163 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,0,0,0,0,0|0,0,2]=3 164 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,0,0,0,0,0|1,0,1]=3 165 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,0,0,0,0|1,0,1]=3 167 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,0,0,0,0|1,0,1]=3 170 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,0,0,0,0,0|1,0,2]=4 171 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,0,0,0,0,0|1,1,1]=4 172 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,0,0,0,0,0|1,2,0]=4 174 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,0,0|1,0,0]=2 175 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,0,0|1,0,0]=2 176 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,0,0,0,0,0|1,0,2]=4 177 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,0,0|1,0,0]=2 178 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,0,0|1,0,0]=2 179 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,0,0,0,0,0|1,0,2]=4 180 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,0,0,0,0,0|1,0,2]=4 181 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,0,0|1,0,0]=2 182 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.5 NC(=O)C(I)I CNP0182681.0 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,0,0,0,0,0|2,0,0]=3 193 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,0,0,0,0,0|2,0,0]=3 195 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|0,0,2]=3 199 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,1,0,0,0,0|1,1,1]=4 205 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|1,0,0]=2 207 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|2,0,0]=3 209 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|1,0,1]=3 211 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|0,0,0]=1 213 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,1,0,0,0,0|2,0,0]=3 215 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|1,0,0]=2 216 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|1,0,0]=2 219 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,0,0,0,0|1,1,1]=4 220 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,1]=3 224 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|0,0,1]=2 225 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,1,0,0,0,0|1,1,1]=4 231 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|0,0,0]=1 232 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|1,0,2]=4 234 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|0,0,0]=1 235 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|0,0,0]=1 237 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|0,0,0]=1 238 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|1,0,1]=3 242 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|0,0,0]=1 243 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|1,0,0]=2 245 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|0,0,1]=2 247 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|1,0,0]=2 248 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|1,0,0]=2 249 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.14 COC(=O)C(Br)(Br)Br CNP0347228.0 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,1,0,0,0,0|0,0,0]=1 255 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,0,0,0,0|1,0,0]=2 257 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|1,0,0]=2 258 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,0|1,1,1]=4 259 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,1,0,0,0,0|2,0,0]=3 270 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|3,0,0]=4 271 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|0,0,2]=3 272 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|1,0,2]=4 275 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|0,0,2]=3 276 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|2,0,0]=3 283 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|1,1,0]=3 284 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|1,0,2]=4 288 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|0,0,0]=1 289 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|0,0,0]=1 293 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|1,0,0]=2 295 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|1,0,0]=2 297 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|1,1,0]=3 298 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|1,0,2]=4 303 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,1,0,0|0,0,0]=1 305 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,0,0,1,0,0|1,0,2]=4 307 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,0,0,0,0,1|1,0,1]=3 308 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,0,0,0,0,1|3,0,0]=4 309 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,0,0,0,0,1|2,0,0]=3 310 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,0,0,0,0,1|3,0,0]=4 311 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,0,0,0,1|1,0,1]=3 312 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,0,0,0,1|1,0,0]=2 313 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,0,1|2,0,1]=4 314 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,0,0,0,0,1|1,0,0]=2 315 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,0,0,0,0,1|2,0,1]=4 316 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,0,0,0,0,1|3,0,0]=4 317 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,0,0,0,0,1|2,0,1]=4 318 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,0,0,0,1|2,0,1]=4 319 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,0,0,0,1|0,0,1]=2 320 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,0,0,0,1|1,0,1]=3 321 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,0,0,0,0,1|2,0,1]=4 322 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,0,0,0,1|0,0,0]=1 323 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,0,0,0,0,1|1,0,0]=2 324 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,0,0,0,1|1,0,0]=2 325 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,0,0,0,0,1|1,0,0]=2 326 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,0,0,0,0,1|1,0,0]=2 327 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,0,0,0,1|1,0,0]=2 328 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,0,0,0,1|1,0,0]=2 329 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,0,0,0,0,1|2,0,1]=4 330 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,0,0,0,1|0,1,0]=2 331 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 332 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|0,0,2]=4 333 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,2]=4 334 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,2]=4 337 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,2]=4 338 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|0,0,1]=3 339 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 345 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 346 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 347 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 348 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,0]=3 349 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 353 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 354 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,0]=2 355 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,0]=2 356 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,1]=3 358 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,1]=4 359 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,0]=3 360 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,1]=3 361 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 362 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 363 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 364 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,0]=2 368 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,1]=3 369 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,1]=3 370 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,1]=3 371 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,1]=3 372 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|0,0,2]=4 374 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|0,1,1]=4 375 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 376 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 377 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 378 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 379 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 380 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 383 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 384 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 387 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 388 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,0]=3 389 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|0,1,0]=3 390 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|1,1,0]=4 391 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|1,0,1]=4 392 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,0]=3 393 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,0,1]=4 394 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|1,0,1]=4 395 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,0,1]=4 397 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 398 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,1]=4 399 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,0]=3 404 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|1,0,1]=4 405 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 408 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 409 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,1]=4 413 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 416 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|1,0,1]=4 417 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,0]=3 418 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|0,1,1]=4 421 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|2,0,0]=4 422 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,1,0]=4 423 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 424 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,1]=4 425 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|0,0,1]=3 426 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|0,1,1]=4 427 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|2,0,0]=4 428 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|2,0,0]=4 429 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|1,1,0]=4 431 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|1,0,1]=4 432 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,1]=4 433 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|0,1,1]=4 434 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.1 CCC(C)C=NO CNP0605626.0 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.1 CCOC(C)CC CNP0086282.0 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.1 CCOC(C)OC CNP0612171.0 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.1 CCSC(C)SC CNP0611888.0 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [1,1,0,0,0,0|1,1,0]=4 447 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.1 COC[C@H](O)CO CNP0105123.2 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|1,0,1]=4 453 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,1,0,0,0,0|1,0,1]=4 456 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,1,0,0,0,0|0,1,1]=4 459 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,1,0,0,0,0|0,1,1]=4 460 B6R0.2 CC(C)NC(C)C CNP0209283.0 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.2 CC(C)SC(C)C CNP0213199.0 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|0,0,2]=4 468 B6R0.4 CC(C)CON=O CNP0224607.0 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.4 CC(C)NCCN CNP0082470.0 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|2,0,0]=4 472 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|1,0,0]=3 474 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|0,1,1]=4 480 B6R0.4 CCSSC(C)C CNP0003135.0 [1,1,0,0,0,0|1,1,0]=4 481 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|0,0,1]=3 483 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|0,0,1]=3 484 B6R0.4 COCCN(C)C CNP0429553.0 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,1,0,0,0,0|1,0,0]=3 486 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.5 CCOC(C)(C)C CNP0285210.0 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.5 CCSC(C)(C)C CNP0186557.0 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.8 COP(=O)(N)SC CNP0341467.0 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|1,0,0]=3 493 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|2,0,0]=4 494 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|0,0,2]=4 497 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [1,1,0,0,0,0|0,0,0]=2 500 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [1,1,0,0,0,0|0,0,0]=2 501 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [1,1,0,0,0,0|0,0,0]=2 504 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [1,1,0,0,0,0|1,0,1]=4 505 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [1,1,0,0,0,0|0,0,0]=2 506 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [1,1,0,0,0,0|0,0,0]=2 507 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [1,1,0,0,0,0|0,0,2]=4 509 B6R0.7 CN(C)P(=O)(C)C CNP0415109.0 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.7 CN(C)S(=O)(=O)C CNP0085777.0 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [1,1,0,0,0,0|2,0,0]=4 512 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [1,1,0,0,0,0|2,0,0]=4 513 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [1,1,0,0,0,0|2,0,0]=4 514 B6R0.7 O=C(O)C(Br)(Br)Br CNP0082210.0 [1,1,0,0,0,0|2,0,0]=4 515 B6R0.7 O=C(O)C(Cl)(Cl)Cl CNP0083486.0 [1,1,0,0,0,0|2,0,0]=4 516 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,1,0,0,0,1|1,0,0]=3 517 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,1,0,0,0,1|2,0,0]=4 518 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,0,0,0,1|0,0,0]=2 519 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,0,1|0,0,0]=2 520 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,0,1|0,0,0]=2 521 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,1,0,0,0,1|1,0,1]=4 522 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,0,1|1,0,0]=3 523 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,0,1|0,0,0]=2 524 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,0,1|1,0,0]=3 525 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,0,1|1,0,0]=3 526 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,0,1|1,0,0]=3 527 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,0,1|1,0,0]=3 528 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,0,0,0,1|1,0,1]=4 529 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,1,0,0,0,1|1,0,0]=3 530 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,1,0,0,0,1|1,0,0]=3 531 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,1|0,0,1]=3 532 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,1|1,0,1]=4 533 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,0,0,0,1|0,0,0]=2 534 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,1,0,0,0,1|1,0,0]=3 535 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,1,0,0,0,1|1,0,0]=3 536 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,1,0,0,0,1|1,0,0]=3 537 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,1,0,0,0,1|1,0,0]=3 538 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,1,0,0,0,1|1,0,0]=3 539 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,1,0,0,0,1|1,0,0]=3 540 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,1,0,0,0,1|0,2,0]=4 541 B8R0.16 CO/C(=N/O)/C[C@H](C)O CNP0423292.1 [0,1,0,0,0,1|1,0,1]=4 542 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [0,1,0,0,0,1|0,0,2]=4 543 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,0,0,0,1|0,0,1]=3 544 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,1|0,0,1]=3 545 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,0,0,0,1|1,0,1]=4 546 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,0,0,0,1|1,0,0]=3 547 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,0,0,0,1|1,0,0]=3 548 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,0,0,0,1|1,0,0]=3 549 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,1|0,0,0]=2 550 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,0,0,0,1|1,0,0]=3 551 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,1,0,0,0,1|0,0,1]=3 552 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,1,0,0,0,1|1,0,1]=4 553 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,1,0,0,0,1|1,0,1]=4 554 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,0,0,0,1|0,0,0]=2 555 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,1,0,0,0,1|1,0,1]=4 556 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,1|1,0,0]=3 557 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,1|2,0,0]=4 558 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,1,0,0,0,1|1,0,0]=3 559 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,1,0,0,0,1|1,0,0]=3 560 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,1,0,0,0,1|2,0,0]=4 561 B8R0.24 C=C(C[N+](C)(C)C)OC CNP0599697.0 [0,1,0,0,0,1|2,0,0]=4 562 B8R0.24 CC(C)(C)NC(=O)CCl CNP0053512.0 [0,1,0,0,0,1|2,0,0]=4 563 B8R0.24 CC(C)(C)OC(=O)NN CNP0500094.0 [0,1,0,0,0,1|2,0,0]=4 564 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,1,0,0,0,1|2,0,0]=4 565 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,1,0,0,0,1|1,0,0]=3 566 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,0,0,0,1|0,0,0]=2 567 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|1,0,0]=3 568 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|0,0,2]=4 570 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,0]=3 571 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,1]=3 572 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,0]=3 574 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,0]=3 576 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,0]=2 577 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|1,0,1]=4 579 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|0,0,1]=3 580 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,0]=2 581 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,0]=2 584 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,0]=3 585 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|0,0,0]=2 587 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|1,0,0]=3 589 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,2,0,0,0,0|0,0,2]=4 590 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,2,0,0,0,0|0,0,0]=2 592 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|0,0,0]=2 596 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,2,0,0,0,0|2,0,0]=4 597 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.14 CCOC(=O)C(Br)(Br)Br CNP0194648.0 [0,2,0,0,0,0|2,0,0]=4 599 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,2,0,0,0,0|0,0,0]=2 600 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|0,0,0]=2 603 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|0,0,0]=2 604 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [0,2,0,0,0,0|0,0,0]=2 605 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [0,2,0,0,0,0|0,0,0]=2 606 B8R0.13 CO[C@H](C)C(C)(C)OC CNP0406293.1 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|0,0,0]=2 608 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|0,0,0]=2 609 B8R0.18 CC(C)C(=NO)C(C)C CNP0192738.0 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,2,0,0,0,0|1,0,1]=4 613 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|1,0,1]=4 614 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|0,0,1]=3 615 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|2,0,0]=4 616 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,1]=4 617 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|2,0,0]=4 618 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|2,0,0]=4 619 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|2,0,0]=4 620 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|0,1,1]=4 621 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,1]=4 623 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,1]=4 624 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|1,0,1]=4 625 B6R1.10 CC1(CCO1)C CNP0252865.0 [1,0,0,1,0,0|2,0,0]=4 626 B6R1.10 CC1(CCS1)C CNP0181332.0 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|1,0,0]=3 628 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,1|1,0,1]=4 629 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,1|0,0,1]=3 630 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,1|2,0,0]=4 631 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,1|2,0,0]=4 632 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,1|1,0,1]=4 633 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,1|0,0,0]=2 634 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,1|1,0,1]=4 635 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,1|1,0,0]=3 636 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,1|1,0,0]=3 637 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,1|1,0,1]=4 638 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,1|1,0,0]=3 639 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,1|1,0,0]=3 640 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,1|1,1,0]=4 641 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,1,0,1|1,0,1]=4 642 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,1|1,0,1]=4 643 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,0,0,1,0,1|1,0,1]=4 644 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,0,0,1,0,1|1,0,1]=4 645 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,0,0,1,0,1|2,0,0]=4 646 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,0,0,1,0,1|2,0,0]=4 647 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,0,0,1,0,1|1,0,0]=3 648 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,0,0,1,0,1|2,0,0]=4 649 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,0,0,1,0,1|2,0,0]=4 650 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,0,1|1,0,1]=4 651 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,0,0,1,0,1|1,0,1]=4 652 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [0,0,0,1,0,1|1,1,0]=4 653 B8R1.51 CC1(CNC(=S)O1)C CNP0263248.0 [0,0,0,1,0,1|1,1,0]=4 654 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,1|0,0,0]=2 655 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,0,1|1,0,0]=3 656 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,0]=2 660 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [0,1,0,1,0,0|0,0,2]=4 665 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|0,0,2]=4 675 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|0,0,2]=4 677 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [0,1,0,1,0,0|0,0,0]=2 678 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|0,0,2]=4 679 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|0,0,2]=4 680 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,1]=4 681 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|0,0,0]=2 689 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|0,0,0]=2 690 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|0,1,0]=3 692 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|0,0,0]=2 693 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|1,0,1]=4 694 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.77 CN(C)C1=NC1(C)C CNP0460631.0 [0,1,0,1,0,0|2,0,0]=4 700 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,0,0,0,0,2|1,0,1]=4 701 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,0,0,0,0,2|1,0,0]=3 702 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,0,0,0,0,2|2,0,0]=4 703 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,0,0,0,0,2|1,0,0]=3 704 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,0,0,0,0,2|0,0,1]=3 705 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,0,0,0,0,2|1,0,1]=4 706 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,0,0,0,0,2|0,0,0]=2 707 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,0,0,0,0,2|1,0,1]=4 708 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,0,0,0,0,2|0,1,0]=3