0 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,0,0,0,0|0,0,4]=4 7 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CC(=CC#N)C#N CNP0182038.0 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,0,0,0,0|0,0,0]=0 17 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,0,0,0,0|0,0,2]=2 18 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|1,0,3]=4 23 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,0,0,0,0|1,0,3]=4 26 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,0,0,0,0|0,0,2]=2 27 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|1,0,3]=4 28 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,0,0,0,0|0,0,4]=4 29 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|1,0,3]=4 31 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,0,0,0,0|0,0,4]=4 32 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|0,0,1]=2 47 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|0,0,1]=2 48 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|0,0,3]=4 51 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|0,0,3]=4 52 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|0,0,1]=2 63 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,0,0,0,0|1,1,1]=4 68 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|0,0,3]=4 69 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|0,0,3]=4 70 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|0,0,1]=2 71 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|0,0,1]=2 72 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|0,0,1]=2 73 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|0,0,3]=4 77 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|0,1,2]=4 78 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|0,0,3]=4 79 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|0,0,3]=4 80 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 82 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|1,1,1]=4 91 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|1,0,2]=4 93 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,0,0,0,0|0,0,3]=4 112 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,0,0,0,0|1,0,2]=4 113 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,0,0,0,0|0,0,2]=3 114 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|0,0,2]=3 123 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|0,0,0]=1 128 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|0,0,2]=3 129 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,0,2]=3 133 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,0,2]=3 135 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.2 OCC=CCO CNP0296138.0 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|0,0,1]=2 145 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|3,0,0]=4 148 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|0,0,0]=1 153 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|0,0,2]=3 155 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|0,1,0]=2 156 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,0]=2 157 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|0,1,2]=4 164 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|0,0,1]=2 165 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|0,0,3]=4 166 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,0,0,0,0|1,0,2]=4 167 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|0,0,1]=2 168 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,0,0,0,0|1,0,2]=4 169 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|0,0,3]=4 170 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|0,0,0]=1 180 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,1,0,0,0,0|1,0,2]=4 185 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,0|0,0,2]=3 188 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|0,0,2]=3 201 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,1,0,0,0,0|0,0,2]=3 203 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|1,0,2]=4 208 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|1,0,1]=3 217 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,0,0,0,0|0,0,2]=3 218 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|0,0,0]=1 219 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|1,0,1]=3 220 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|1,0,1]=3 222 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|0,0,2]=3 223 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|0,0,2]=3 224 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|0,0,2]=3 225 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|0,0,2]=3 226 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|0,0,2]=3 229 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|0,0,2]=3 230 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|0,0,2]=3 231 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|1,0,2]=4 233 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|1,0,2]=4 234 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|1,0,1]=3 236 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|1,0,2]=4 237 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|1,0,2]=4 238 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|1,0,1]=3 242 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,0,0,0,0|0,0,1]=2 243 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|0,0,2]=3 248 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|1,0,0]=2 257 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,1]=4 258 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,0,0,0,0|0,0,2]=3 262 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,0,1]=3 266 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,1,0,0,0,0|3,0,0]=4 267 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.12 BrCC=C(CBr)CBr CNP0066459.0 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,0,0,0,0|1,0,1]=3 277 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|1,0,1]=3 278 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,1,0,0|1,0,2]=4 279 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,1,0,0|1,0,2]=4 280 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,1,0,0|1,0,2]=4 281 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,1,0,0|1,0,2]=4 282 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,1,0,0|1,0,2]=4 283 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,1,0,0|1,0,2]=4 286 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,1,0,0|1,1,1]=4 287 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,1,0,0|0,0,2]=3 297 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,1,0,0|1,0,2]=4 298 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,1,0,0|0,1,1]=3 299 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,1,0,0|1,1,1]=4 300 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,0|1,1,1]=4 303 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,1,0,0|3,0,0]=4 304 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|2,0,1]=4 307 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|3,0,0]=4 308 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|1,1,1]=4 310 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,0,1,0,0|1,0,2]=4 313 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,0,1,0,0|2,0,1]=4 314 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,1,0,0|1,0,2]=4 315 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|1,0,1]=3 316 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|1,0,2]=4 321 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|1,0,1]=3 322 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|1,1,0]=3 323 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|1,1,0]=3 324 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,1,0,0|2,0,1]=4 325 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|0,0,0]=1 327 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|1,0,0]=2 328 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|1,0,2]=4 331 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|1,0,1]=3 332 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|1,0,1]=3 333 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|0,0,2]=3 334 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,0,2]=4 335 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|1,0,1]=3 336 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|0,0,2]=3 337 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,0,2]=4 338 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|1,0,1]=3 339 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|1,0,1]=3 340 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|1,0,0]=2 341 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|1,0,1]=3 342 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|2,0,0]=3 343 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,1,0,0|2,0,1]=4 345 B4R0.1 C#CC(=C)C CNP0599820.0 [2,0,0,0,0,0|0,0,2]=4 346 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.1 C=C(C)C#N CNP0560504.0 [2,0,0,0,0,0|1,0,1]=4 348 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,0]=2 349 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,0]=2 350 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|1,0,0]=3 351 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|1,0,0]=3 352 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|0,0,1]=3 353 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,1]=3 354 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,1]=4 355 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 363 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 364 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|2,0,0]=4 371 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,1]=3 373 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,1]=3 374 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,1]=3 376 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 377 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 378 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 379 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 380 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 381 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 382 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,0]=3 383 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,0]=3 384 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,2]=4 387 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 388 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 389 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 390 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 391 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 393 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 394 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|1,0,0]=3 399 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|1,0,0]=3 401 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,1]=4 402 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,1]=4 403 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 404 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|2,0,0]=4 416 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|2,0,0]=4 417 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|0,0,2]=4 420 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,1]=3 421 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,1]=3 422 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 424 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 425 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 426 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 427 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,0]=3 429 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,0]=3 430 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 431 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 432 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,0]=2 433 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,0]=2 434 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,0]=3 435 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,0]=3 436 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,0]=3 437 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,1]=4 438 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 439 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,0]=3 440 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,1]=3 441 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,2]=4 442 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,1]=4 443 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,1]=4 444 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,1]=4 445 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 446 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 447 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,1]=4 448 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,1]=4 450 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 452 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,1]=4 455 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,0]=3 456 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|2,0,0]=4 459 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|0,0,2]=4 460 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|0,0,1]=3 465 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|0,0,1]=3 466 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|0,0,2]=4 467 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|0,0,1]=3 468 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|0,0,1]=3 469 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|0,0,2]=4 470 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,1]=3 471 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|0,0,1]=3 472 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|0,0,1]=3 473 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|1,0,0]=3 476 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|1,1,0]=4 478 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,1,0,0,0,0|1,0,0]=3 488 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|0,0,1]=3 489 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|1,0,0]=3 490 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [1,1,0,0,0,0|2,0,0]=4 492 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,1,0,0,0,0|2,0,0]=4 493 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [1,1,0,0,0,0|2,0,0]=4 495 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|0,0,1]=3 496 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,1,0,0,0,0|0,0,1]=3 500 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|0,0,0]=2 501 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|1,0,0]=3 502 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,1,0,0,0,0|0,0,2]=4 503 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,1,0,0,0,0|0,1,1]=4 504 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,1,0,0,0,0|1,0,1]=4 505 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,1,0,0,0,0|0,0,2]=4 507 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|0,0,1]=3 508 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|0,0,1]=3 509 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|0,0,1]=3 510 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|0,0,1]=3 515 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|0,0,1]=3 517 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|1,0,1]=4 527 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [1,1,0,0,0,0|2,0,0]=4 531 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|0,0,1]=3 532 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|0,0,2]=4 536 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|0,0,1]=3 537 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|0,0,1]=3 538 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|0,0,2]=4 539 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,0]=3 540 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,0]=3 542 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|1,0,0]=3 543 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|1,0,0]=3 544 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|0,0,2]=4 546 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,1]=4 547 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,0]=2 548 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|1,0,0]=3 549 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,1]=3 550 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,1]=3 551 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|0,0,1]=3 555 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,1]=3 556 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,0,1]=3 557 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|0,0,1]=3 562 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|0,0,1]=3 565 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|1,0,0]=3 568 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,1,0,0,0,0|0,0,1]=3 579 B6R0.6 CC=CC=CCC CNP0608489.0 [1,1,0,0,0,0|1,0,0]=3 580 B6R0.6 CC=CC=CCO CNP0292375.0 [1,1,0,0,0,0|0,0,2]=4 581 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|0,0,2]=4 582 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.6 CC=COC=CC CNP0612224.0 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.6 CC=CSC=CC CNP0002507.0 [1,1,0,0,0,0|1,0,1]=4 587 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,1,0,0,0,0|0,0,0]=2 590 B6R0.6 CCC=C=CCC CNP0518397.0 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.6 CCC=CCC#N CNP0106706.0 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|0,0,0]=2 593 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.6 CCC=CCCO CNP0255718.0 [1,1,0,0,0,0|0,0,2]=4 595 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,1,0,0,0,0|0,1,1]=4 596 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|0,0,0]=2 597 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|0,0,2]=4 598 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|0,0,2]=4 599 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|0,0,2]=4 600 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|0,0,2]=4 601 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|0,0,2]=4 602 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|0,0,2]=4 603 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|0,0,2]=4 604 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|0,0,2]=4 605 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|0,0,0]=2 609 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|1,0,0]=3 611 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,0,1]=3 612 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 613 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,2,0,0,0,0|0,0,1]=3 615 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,2,0,0,0,0|1,0,1]=4 616 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|0,0,0]=2 617 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,2,0,0,0,0|0,0,1]=3 618 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|0,0,1]=3 619 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,2,0,0,0,0|0,0,2]=4 621 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,2,0,0,0,0|0,0,2]=4 622 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,2,0,0,0,0|0,0,2]=4 624 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,2,0,0,0,0|0,0,2]=4 625 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,2,0,0,0,0|1,0,1]=4 626 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|0,0,1]=3 627 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|0,0,1]=3 628 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|0,0,1]=3 629 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|0,0,2]=4 632 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|0,0,2]=4 633 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|0,0,2]=4 634 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|2,0,0]=4 637 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|0,0,1]=3 639 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,2,0,0,0,0|1,0,1]=4 640 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|1,0,1]=4 642 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.23 CC(=CC(=O)Cl)C(=O)Cl CNP0242939.0 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.23 CC(=CC(=O)N)C(=O)N CNP0275048.0 [0,2,0,0,0,0|1,0,1]=4 645 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,2,0,0,0,0|1,0,1]=4 646 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,2,0,0,0,0|0,0,0]=2 648 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|1,0,1]=4 649 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|1,0,1]=4 650 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,2,0,0,0,0|1,0,1]=4 652 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,1]=4 654 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|1,0,0]=3 655 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|0,0,0]=2 656 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,1]=4 657 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|0,0,2]=4 658 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|0,0,2]=4 659 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,2]=4 660 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,2,0,0,0,0|2,0,0]=4 661 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,2,0,0,0,0|2,0,0]=4 662 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|0,0,1]=3 665 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,2,0,0,0,0|0,0,0]=2 667 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,2,0,0,0,0|1,0,0]=3 668 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|0,0,2]=4 669 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,2,0,0,0,0|0,0,1]=3 670 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|0,0,0]=2 672 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|0,0,0]=2 673 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|1,0,1]=4 674 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|0,0,2]=4 676 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|0,0,2]=4 679 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,2,0,0,0,0|2,0,0]=4 682 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|0,0,1]=3 684 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|0,0,0]=2 685 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|0,0,1]=3 686 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|0,0,0]=2 687 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|0,0,2]=4 688 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|0,0,2]=4 689 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|0,0,2]=4 690 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [0,2,0,0,0,0|0,0,2]=4 691 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|0,0,2]=4 692 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|0,0,2]=4 693 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|0,0,2]=4 694 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,2,0,0,0,0|1,0,0]=3 697 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,2,0,0,0,0|0,0,2]=4 698 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|0,0,2]=4 700 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [0,2,0,0,0,0|1,0,1]=4 701 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|0,0,0]=2 702 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,0,2]=4 703 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,2,0,0,0,0|1,0,1]=4 706 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|0,0,1]=3 707 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|0,0,1]=3 708 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|0,0,1]=3 709 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,1,0]=3 710 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|1,0,1]=4 711 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,1,0,0|1,1,0]=4 712 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,1,0,0|1,0,1]=4 713 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,1,0,0|2,0,0]=4 714 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,1,0,0|1,0,1]=4 715 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|1,0,1]=4 716 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,1,0,0|1,0,1]=4 717 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|1,0,1]=4 718 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,1,0,0|1,1,0]=4 719 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|1,0,1]=4 720 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,1]=3 721 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,1]=4 722 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,1]=3 723 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,0]=3 724 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,0]=3 725 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,0]=3 726 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 727 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 728 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 729 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,1]=4 730 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|2,0,0]=4 731 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,1]=4 732 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,1,0,0|1,0,1]=4 733 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,0]=3 734 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|2,0,0]=4 735 B6R1.8 O=C1C=C1CO CNP0214079.0 [1,0,0,1,0,0|1,0,1]=4 736 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,1]=4 737 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,1,0,0|1,0,0]=3 738 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,1]=4 739 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,1,0,0|1,0,1]=4 740 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,1]=4 741 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,1,0,0|0,0,2]=4 742 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,1,0,0|1,0,1]=4 743 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 744 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,1,0,0|2,0,0]=4 745 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,2]=4 746 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|1,1,0]=4 747 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|1,0,1]=4 748 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,2]=4 749 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [1,0,0,1,0,0|1,0,1]=4 750 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,1,0,0|0,0,1]=3 764 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,1,0,0|0,1,0]=3 765 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|0,0,1]=3 770 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|1,0,1]=4 772 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 773 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,1,0,1,0,0|1,0,1]=4 774 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,1,0,1,0,0|1,0,1]=4 775 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|0,0,0]=2 778 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|0,0,2]=4 779 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,0,2]=4 783 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,2]=4 784 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,2]=4 785 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,2]=4 786 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,2]=4 787 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,1,0,0|1,0,1]=4 791 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,1,0,0|0,0,2]=4 792 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,1,0,0|1,0,1]=4 793 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,1,0,0|1,0,1]=4 794 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,1,0,0|1,0,1]=4 795 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|0,0,0]=2 796 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|0,0,0]=2 798 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,1,0,0|1,0,1]=4 802 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|0,0,2]=4 804 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|0,0,2]=4 809 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,1,0,1,0,0|1,0,1]=4 810 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,1]=4 812 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,1,0,0|0,0,1]=3 814 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|0,0,0]=2 815 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,1,0,1,0,0|0,0,2]=4 816 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|0,0,2]=4 817 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,1,0,0|1,0,1]=4 818 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,1,0,0|1,0,1]=4 819 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|0,0,2]=4 820 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,1,0,1,0,0|1,0,1]=4 822 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,1,0,1,0,0|1,0,1]=4 823 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|0,0,2]=4 825 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|0,0,2]=4 826 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,2]=4 827 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,1,0,0|1,0,1]=4 828 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|1,0,1]=4 839 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|0,0,0]=2 841 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|0,0,0]=2 842 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|0,0,1]=3 843 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|0,0,2]=4 844 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,1]=4 848 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.52 CC1(CC=CO1)C=O CNP0595974.0 [0,1,0,1,0,0|0,0,2]=4 852 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|1,0,1]=4 858 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|0,0,2]=4 860 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|0,0,2]=4 862 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|1,0,1]=4 865 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|0,0,2]=4 866 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|1,0,1]=4 867 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,1]=4 868 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,1,0,0|1,0,1]=4 869 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,1]=4 871 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,1,0,0|0,0,1]=3 873 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|0,0,0]=2 875 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|0,0,2]=4 876 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,1,0,0|0,0,2]=4 878 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|1,0,0]=3 879 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.11 N#CC1=C(CCC1)N CNP0263562.0 [0,1,0,1,0,0|1,0,1]=4 881 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|1,0,0]=3