0 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,0,0,0,0,0|0,0,4]=4 10 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,0,0,0,0,0|1,0,3]=4 11 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,0,0,0,0,0|0,0,4]=4 13 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,0,0,0,0,0|1,0,3]=4 15 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,0,0,0,0,0|0,0,2]=2 16 B6R0.4 CC(C)CCCO CNP0344466.0 [0,0,0,0,0,0|0,0,4]=4 17 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,0,0,0,0,0|1,1,2]=4 18 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,0,0,0,0,0|1,0,1]=2 19 B6R0.4 CC(C)COC=O CNP0232692.0 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.4 CC(C)CON=O CNP0224607.0 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 CC(C)NCCN CNP0082470.0 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.4 CC(C)NCCO CNP0141461.0 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.4 CC(C)OCCO CNP0079907.0 [0,0,0,0,0,0|1,0,3]=4 25 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.4 CCCCC(C)C CNP0312749.0 [0,0,0,0,0,0|1,0,3]=4 30 B6R0.4 CCCSC(C)C CNP0228244.0 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.4 CCNCC(C)C CNP0165310.0 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.4 CCSCC(C)C CNP0208462.0 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.4 CCSSC(C)C CNP0003135.0 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.4 CNCCC(C)C CNP0254439.0 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 COCC=C(C)C CNP0493784.0 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.4 COCCC(C)C CNP0316382.0 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,0,0,0,0,0|1,0,2]=3 38 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|0,0,3]=4 42 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|0,0,1]=2 45 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|0,0,1]=2 52 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|0,0,3]=4 53 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|0,1,2]=4 54 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|0,0,1]=2 55 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|0,0,1]=2 58 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|0,0,3]=4 60 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|0,1,2]=4 61 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,0,0,0,0,0|1,1,1]=4 64 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|0,0,1]=2 68 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|0,0,3]=4 70 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|0,0,3]=4 71 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,0,0,0,0|0,0,3]=4 81 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,0,0,0,0|0,0,2]=3 83 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|0,0,2]=3 92 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|0,0,0]=1 97 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|0,0,2]=3 98 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,0,2]=3 104 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|1,0,0]=2 111 B5R0.2 OCC=CCO CNP0296138.0 [1,0,0,0,0,0|1,0,2]=4 112 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|0,0,0]=1 115 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,1,0,0,0,0|0,0,2]=3 117 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,1,0,0,0,0|0,0,2]=3 118 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,1,0,0,0,0|0,0,2]=3 119 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,1,0,0,0,0|0,0,2]=3 120 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,1,0,0,0,0|0,0,2]=3 121 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,1,0,0,0,0|0,0,2]=3 122 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,0|0,0,2]=3 123 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|1,1,0]=3 136 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|1,1,0]=3 137 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,1,0,0,0,0|0,0,2]=3 142 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,1,0,0,0,0|0,0,2]=3 143 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.4 CC=CSSC(C)C CNP0589450.0 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.4 CSSC=CC(C)C CNP0002674.0 [0,1,0,0,0,0|1,1,0]=3 151 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,1,0,0,0,0|0,0,3]=4 152 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,1,0,0,0,0|0,0,2]=3 154 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,1,0,0,0,0|0,0,2]=3 159 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,1,0,0,0,0|1,0,1]=3 160 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,1,0,0,0,0|0,0,2]=3 163 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,1,0,0,0,0|1,0,1]=3 165 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,1,0,0,0,0|0,0,0]=1 168 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,1,0,0,0,0|0,0,2]=3 169 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,1,0,0,0,0|0,0,2]=3 170 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,1,0,0,0,0|0,0,2]=3 171 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [0,1,0,0,0,0|0,0,2]=3 192 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [0,1,0,0,0,0|0,0,0]=1 193 B7R0.8 CC(C)(O)C=C=C=O CNP0252745.0 [0,1,0,0,0,0|0,0,2]=3 194 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,1,0,0|1,0,2]=4 195 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|1,0,2]=4 199 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|1,1,0]=3 203 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|0,0,2]=3 204 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,0,2]=4 205 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|1,0,1]=3 206 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|1,0,1]=3 209 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|1,0,1]=3 211 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,1,0,0|1,0,1]=3 213 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,0,1,0,0|1,0,2]=4 223 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|1,0,1]=3 225 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,0,1,0,0|1,0,2]=4 226 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|1,0,1]=3 229 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.7 CC=CCN1CC1 CNP0584372.0 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,0,0,1,0,0|1,0,2]=4 238 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|0,0,2]=4 239 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,2]=4 240 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|0,0,2]=4 241 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|0,0,0]=2 243 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|1,0,0]=3 244 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|1,0,0]=3 245 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 246 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,0]=2 247 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,0]=2 248 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,2]=4 250 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,1]=4 251 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,0]=3 252 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,2]=4 253 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 255 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 256 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,0]=3 262 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 263 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,1]=3 267 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,1]=3 268 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 269 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 270 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,0]=3 275 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,0]=3 276 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,0]=2 278 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,1]=3 279 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|0,0,2]=4 280 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|0,1,1]=4 281 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,1]=3 286 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 289 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,0]=3 293 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,1,0,0,0,0|0,0,2]=4 297 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,1,0,0,0,0|0,0,1]=3 298 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [1,1,0,0,0,0|0,0,2]=4 299 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|0,0,1]=3 300 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.1 CCC(C)C=NO CNP0605626.0 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|0,0,1]=3 303 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,1,0,0,0,0|0,0,1]=3 308 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,1,0,0,0,0|0,0,1]=3 309 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|0,0,1]=3 310 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|0,0,1]=3 312 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|0,0,1]=3 313 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|0,0,1]=3 314 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,1]=3 316 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|0,0,1]=3 322 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [1,1,0,0,0,0|1,1,0]=4 324 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|1,0,1]=4 333 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,1]=3 334 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,2]=4 335 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,1,0,0,0,0|0,0,0]=2 338 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,1,0,0,0,0|0,0,1]=3 340 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,1,0,0,0,0|0,0,1]=3 341 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,1,0,0,0,0|0,0,1]=3 342 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,1,0,0,0,0|0,0,2]=4 343 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,1,0,0,0,0|0,0,1]=3 348 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,1,0,0,0,0|0,0,1]=3 353 B6R0.6 CC=CC=CCC CNP0608489.0 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.6 CC=CC=CCO CNP0292375.0 [1,1,0,0,0,0|0,0,2]=4 355 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|0,0,2]=4 356 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.6 CC=COC=CC CNP0612224.0 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.6 CC=CSC=CC CNP0002507.0 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,1,0,0,0,0|0,0,0]=2 364 B6R0.6 CCC=C=CCC CNP0518397.0 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.6 CCC=CCC#N CNP0106706.0 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|0,0,0]=2 367 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.6 CCC=CCCO CNP0255718.0 [1,1,0,0,0,0|0,0,2]=4 369 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,1,0,0,0,0|0,1,1]=4 370 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|0,0,0]=2 371 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|0,0,2]=4 373 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|0,0,2]=4 374 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|0,0,2]=4 375 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|0,0,2]=4 376 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|0,0,2]=4 377 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|0,0,2]=4 378 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|0,0,2]=4 379 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [0,2,0,0,0,0|1,0,1]=4 382 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|0,0,0]=2 383 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|0,0,1]=3 384 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,2,0,0,0,0|1,0,1]=4 386 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,2,0,0,0,0|0,0,1]=3 387 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,2,0,0,0,0|0,0,0]=2 388 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,2,0,0,0,0|0,0,0]=2 390 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|0,0,1]=3 391 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,2,0,0,0,0|0,0,2]=4 392 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,2,0,0,0,0|0,0,0]=2 393 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,2,0,0,0,0|0,0,1]=3 394 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,2,0,0,0,0|0,0,2]=4 396 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|0,0,1]=3 397 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,2,0,0,0,0|0,0,2]=4 398 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,2,0,0,0,0|0,0,2]=4 399 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,2,0,0,0,0|0,0,2]=4 400 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,2,0,0,0,0|0,0,2]=4 402 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,2,0,0,0,0|0,0,2]=4 403 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,2,0,0,0,0|0,0,2]=4 404 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,2,0,0,0,0|0,0,2]=4 405 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.6 C/C=C/SS[C@@H](C)CC CNP0144239.2 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.6 C/C=C/SS[C@H](C)CC CNP0144239.1 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,2,0,0,0,0|0,0,1]=3 413 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,2,0,0,0,0|0,0,2]=4 420 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|0,0,2]=4 421 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|0,0,2]=4 424 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|0,0,0]=2 426 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|0,0,0]=2 429 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|0,0,2]=4 430 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,2,0,0,0,0|1,0,1]=4 431 B8R0.9 CNC(=O)/C=C/[S@@+](C)[O-] CNP0536692.1 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.9 CNC(=O)/C=C/[S@@H+](C)[O-] CNP0584087.2 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.9 CNC(=O)/C=C\[S@@+](C)[O-] CNP0536692.2 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.9 CNC(=O)/C=C\[S@@H+](C)[O-] CNP0584087.1 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,2,0,0,0,0|1,0,1]=4 436 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,2,0,0,0,0|0,0,2]=4 438 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,2,0,0,0,0|0,0,2]=4 439 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,2,0,0,0,0|0,0,2]=4 440 B8R0.11 CCC(C#CC=O)CC CNP0475333.0 [0,2,0,0,0,0|0,0,2]=4 441 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,2,0,0,0,0|0,0,2]=4 442 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,2,0,0,0,0|0,0,2]=4 443 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,2,0,0,0,0|0,0,2]=4 447 B8R0.21 CC(C)(S)CCOC=O CNP0002927.0 [0,2,0,0,0,0|0,0,2]=4 448 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.28 CC(=CCC=C(C)C)C CNP0564316.0 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,2,0,0,0,0|0,0,2]=4 451 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,2,0,0,0,0|0,0,1]=3 453 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,2,0,0,0,0|0,0,0]=2 454 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,2,0,0,0,0|0,0,2]=4 455 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,2,0,0,0,0|0,0,2]=4 456 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,2,0,0,0,0|0,0,2]=4 457 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,2,0,0,0,0|0,0,2]=4 458 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,2,0,0,0,0|0,0,2]=4 459 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,2,0,0,0,0|0,0,2]=4 460 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,2,0,0,0,0|0,0,0]=2 461 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,2,0,0,0,0|0,0,2]=4 463 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,2,0,0,0,0|0,0,2]=4 464 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,2,0,0,0,0|1,0,0]=3 465 B8R0.14 C#CC=C(C)C(C)(C)C CNP0308332.0 [0,2,0,0,0,0|1,0,1]=4 466 B8R0.14 CC(=CC=O)C(C)(C)C CNP0060587.0 [0,2,0,0,0,0|0,0,0]=2 467 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,2,0,0,0,0|0,0,0]=2 468 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,2,0,0,0,0|0,0,0]=2 469 B8R0.29 C[C@@H](O)/C=C/C(C)(C)O CNP0384905.1 [0,2,0,0,0,0|0,0,2]=4 470 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|0,0,1]=3 474 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,1,0,0|1,0,1]=4 476 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,1,0,0|1,1,0]=4 479 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,1,0,0|1,1,0]=4 480 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,0]=3 481 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,1]=4 484 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,1,0,0|1,0,1]=4 485 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,1,0,0|0,0,2]=4 487 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,1,0,0|1,0,1]=4 488 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,2]=4 491 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|1,1,0]=4 492 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,2]=4 494 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,1,0,0|0,0,0]=2 502 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|0,0,2]=4 505 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,1,0,0|0,0,2]=4 506 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,1,0,0|0,0,2]=4 507 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,2]=4 514 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,2]=4 518 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|0,0,0]=2 519 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.18 CN1CC(=O)NC1=N CNP0525234.0 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|0,0,0]=2 530 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|0,0,2]=4 540 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,1,0,0|0,0,0]=2 541 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,1,0,1,0,0|0,0,0]=2 542 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|0,0,2]=4 552 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,0,2]=4 553 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.5 ClC1C=CC=CC1Cl CNP0452239.0 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [0,1,0,1,0,0|0,0,2]=4 571 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,1,0,0|0,0,1]=3 573 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|0,0,2]=4 578 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,1,0,1,0,0|1,0,1]=4 581 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,1]=4 582 B8R2.25 C1=CC2OC2C=C1 CNP0472206.0 [0,0,0,2,0,0|2,0,0]=4