0 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,0,0,0,0|1,0,3]=4 17 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,0,0,0,0|1,0,3]=4 20 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,0|0,0,0]=0 23 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,0|0,0,2]=2 24 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,0,0,0,0,0|0,0,4]=4 28 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,0,0,0,0,0|0,0,2]=2 29 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,0,0,0,0|0,0,4]=4 30 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,0,0,0,0,0|1,0,3]=4 31 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,0|1,0,3]=4 32 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,0,0,0,0|1,0,2]=3 33 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,0,0,0,0|1,1,2]=4 34 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,0|1,1,1]=3 36 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,1]=2 37 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|0,0,1]=2 40 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,3]=4 43 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|0,0,1]=2 55 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|0,0,3]=4 60 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 63 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|0,1,2]=4 64 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,1,0,0,0,0|0,0,0]=1 66 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|0,0,2]=3 69 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,1,0,0,0,0|0,0,2]=3 70 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,1,0,0,0,0|1,1,1]=4 84 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,1,0,0,0,0|0,0,1]=2 100 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,0,0,0,0|0,0,3]=4 101 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,1,0,0,0,0|0,1,1]=3 102 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|0,0,2]=3 116 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,0,0,0,0|0,0,2]=3 126 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,1,0,0,0,0|0,0,2]=3 129 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,0,0,0,0|0,0,2]=3 132 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,1,0,0,0,0|1,1,1]=4 136 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,0,0,0,0|0,0,2]=3 138 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,1,0,0,0,0|0,0,2]=3 139 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,0|0,0,2]=3 143 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,1,0,0,0,0|1,0,2]=4 147 B11R2.1 BrC1=C2C=CC=CN2N=C1 CNP0121314.0 [0,0,0,1,0,0|3,0,0]=4 148 B11R2.1 BrC1=CN=C2N1C=CC=C2 CNP0437961.0 [0,0,0,1,0,0|3,0,0]=4 149 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,1,0,0|2,0,0]=3 150 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,1,0,0|2,0,0]=3 151 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,1,0,0|1,0,0]=2 152 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,1,0,0|2,0,0]=3 153 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|1,0,1]=3 154 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|2,0,0]=3 155 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,0,0,1,0,0|3,0,0]=4 156 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,1,0,0|1,0,1]=3 158 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,1,0,0|1,0,1]=3 159 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,1,0,0|2,0,0]=3 160 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,1,0,0|2,0,0]=3 161 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|2,0,1]=4 162 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|2,0,1]=4 164 B11R2.1 O=C1C=CC2=C1C=NNN2 CNP0310693.0 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.1 O=C1C=CC2=C1NC=NN2 CNP0349605.0 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.1 O=C1C=CC2=C1NN=CN2 CNP0281642.0 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.1 O=C1C=CC2=C1NNN=C2 CNP0000810.0 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 O=C1C=CC2=CC=NNN12 CNP0000982.0 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.1 O=C1C=CC2=CNC=NN12 CNP0000842.0 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.1 O=C1C=CC2=CNN=CN12 CNP0356069.0 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.1 O=C1C=CC2=CNNN=C12 CNP0186968.0 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 O=C1C=CC2=NC=CNN12 CNP0266442.0 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 O=C1C=CC2=NNC=CN12 CNP0166430.0 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 O=C1C=CC2=NNNC=C12 CNP0012157.0 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.1 O=C1C=CN2C1=CC=NN2 CNP0072084.0 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 O=C1C=CN2C1=CNC=N2 CNP0422600.0 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.1 O=C1C=CN2C1=CNN=C2 CNP0000823.0 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.1 O=C1C=CN2C1=NC=CN2 CNP0051448.0 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.1 O=C1C=CN2C1=NNC=C2 CNP0423332.0 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.1 O=C1C=CN2N1C=CC=N2 CNP0234366.0 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.1 O=C1C=CN2N1C=CN=C2 CNP0000956.0 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.1 O=C1C=CN2N1C=NC=C2 CNP0000812.0 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 O=C1C=CN2N1N=CC=C2 CNP0223660.0 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.1 O=C1C=NC2=C1C=CNN2 CNP0001113.0 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.1 O=C1C=NC2=C1NC=CN2 CNP0001121.0 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.1 O=C1C=NC2=C1NNC=C2 CNP0001049.0 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|1,0,0]=2 188 B11R2.1 O=C1C=NC2=CC=CNN12 CNP0367910.0 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.1 O=C1C=NC2=CNC=CN12 CNP0296020.0 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.1 O=C1C=NC2=CNNC=C12 CNP0001111.0 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.1 O=C1C=NN2C1=CC=CN2 CNP0001140.0 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 O=C1C=NN2C1=CNC=C2 CNP0298907.0 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.1 O=C1C=NN2N1C=CC=C2 CNP0228145.0 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|0,0,2]=3 195 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|1,0,1]=3 196 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|1,0,1]=3 197 B11R2.1 O=C1N=CC2=C1C=CNN2 CNP0380899.0 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.1 O=C1N=CC2=C1NC=CN2 CNP0000845.0 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.1 O=C1N=CC2=C1NNC=C2 CNP0385661.0 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.1 O=C1N=CC2=CC=CNN12 CNP0151130.0 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.1 O=C1N=CC2=CNC=CN12 CNP0155863.0 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.1 O=C1N=CC2=CNNC=C12 CNP0000824.0 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 O=C1N=CN2C1=CC=CN2 CNP0398346.0 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.1 O=C1N=CN2C1=CNC=C2 CNP0032090.0 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.1 O=C1N=CN2N1C=CC=C2 CNP0001083.0 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|1,0,1]=3 208 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|1,0,1]=3 214 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|1,0,1]=3 215 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|0,0,2]=3 220 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [0,0,0,1,0,0|1,0,0]=2 221 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [0,0,0,1,0,0|2,0,0]=3 222 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [0,0,0,1,0,0|1,0,0]=2 223 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [0,0,0,1,0,0|2,0,0]=3 224 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.20 C1=CN=C2N=CN=CC2=C1 CNP0489706.0 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|1,0,2]=4 228 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|1,0,2]=4 229 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|1,0,2]=4 230 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [0,0,0,0,1,0|1,0,2]=4 231 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,0,0,1,0|1,0,0]=2 232 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,0,0,0,1,0|2,0,1]=4 234 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,0,0,0,1,0|2,0,1]=4 235 B11R1.203 C=C/C=C\[C@H]1C=CCC=CC1 CNP0426472.1 [0,0,0,0,0,1|1,0,2]=4 236 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|0,0,1]=3 237 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 238 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,0]=2 239 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,0]=3 241 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [2,0,0,0,0,0|0,0,2]=4 242 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,2]=4 244 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,1]=4 245 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,1]=4 246 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,1]=4 247 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 248 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 249 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 253 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 255 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 257 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,2]=4 259 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 260 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 261 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,2]=4 262 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,2]=4 263 B10R0.91 CC(=CC=CC=O)C=CC=O CNP0179578.0 [0,1,1,0,0,0|0,0,1]=3 264 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|0,0,2]=4 265 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,1,1,0,0,0|1,0,1]=4 266 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,1,1,0,0,0|1,0,1]=4 267 B10R0.71 CC=CC=CC#CC=CC=O CNP0254877.0 [0,1,1,0,0,0|0,0,2]=4 268 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,1,1,0,0,0|0,0,0]=2 269 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [0,1,1,0,0,0|1,0,1]=4 270 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,1,1,0,0,0|0,0,2]=4 271 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,1,1,0,0,0|0,0,2]=4 272 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,1]=3 273 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|0,0,1]=3 274 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,1]=3 276 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,1]=3 277 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|0,0,1]=3 278 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,1]=3 281 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|0,0,1]=3 287 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|0,0,0]=2 299 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,1]=3 302 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,1]=3 306 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,1]=3 321 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,1]=3 324 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,1,0,0,0,0|1,1,0]=4 333 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,1,0,0,0,0|1,1,0]=4 337 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|0,0,1]=3 339 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|0,0,1]=3 340 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|0,0,1]=3 342 B10R1.11 O=CNC(=O)C1=CC=CN1 CNP0189867.0 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,1,0,0,1,0|1,0,0]=3 346 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.66 NC(=O)C=CC1=CNC=C1 CNP0558804.0 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,1,0,0,1,0|1,0,0]=3 351 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,1,0,0,1,0|2,0,0]=4 353 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,2,0,0,0,0|0,0,2]=4 355 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,2,0,0,0,0|0,0,0]=2 356 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [0,2,0,0,0,0|0,0,2]=4 357 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,2,0,0,0,0|0,0,0]=2 360 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,2,0,0,0,0|0,0,2]=4 361 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,2,0,0,0,0|0,0,2]=4 362 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,2,0,0,0,0|0,0,0]=2 365 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,2,0,0,0,0|0,0,2]=4 366 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,2,0,0,0,0|0,0,0]=2 367 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,2,0,0,0,0|0,0,2]=4 369 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,2,0,0,0,0|0,0,2]=4 372 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,2,0,0,0,0|0,0,0]=2 373 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,2,0,0,0,0|0,0,0]=2 374 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,2,0,0,0,0|0,0,0]=2 375 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [0,2,0,0,0,0|0,0,2]=4 376 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,2,0,0,0,0|0,0,2]=4 377 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.21 OB(O)C=CC1=CC=C(C=C1)Cl CNP0527100.0 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|0,0,2]=4 384 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,2,0,0,0,0|0,0,2]=4 390 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.385 COC=CC1=CC=C(C(=C1)O)O CNP0132109.0 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [0,2,0,0,0,0|0,0,2]=4 395 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 CNP0002677.0 [0,2,0,0,0,0|0,0,2]=4 396 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,2,0,0,0,0|1,0,1]=4 397 B12R1.3 O=CC(=CNO)C1=CC=CC=C1 CNP0028719.0 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.3 O=CN[C@@H](CO)C1=CC=CC=C1 CNP0504966.1 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.34 CC(C1=CC=CC=C1)C(N)C=O CNP0518505.1 [0,2,0,0,0,0|0,0,2]=4 405 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,2,0,0,0,0|0,0,1]=3 409 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,2,0,0,0,0|0,0,2]=4 412 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,2,0,0,0,0|0,0,2]=4 413 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,2,0,0,0,0|0,0,2]=4 414 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,2,0,0,0,0|0,0,2]=4 415 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,2,0,0,0,0|0,0,2]=4 416 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.121 COC1=CC=CC=C1C=CC#N CNP0211278.0 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [0,2,0,0,0,0|0,0,0]=2 419 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,2,0,0,0,0|0,0,0]=2 420 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,2,0,0,0,0|0,0,2]=4 421 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,2,0,0,0,0|0,0,0]=2 423 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,2,0,0,0,0|0,0,0]=2 424 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,2,0,0,0,0|0,0,2]=4 426 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.125 O=C(O)/C=C/C1=CC=CC[C@@H]1O CNP0190830.1 [0,2,0,0,0,0|0,0,2]=4 428 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,2,0,0,0,0|0,0,2]=4 431 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,2,0,0,0,0|0,0,2]=4 433 B12R1.28 CC=CC=CC1=CC=CC(=O)O1 CNP0526558.0 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.28 O=CC=COC1=CC=CC(=C1)O CNP0162512.0 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,2,0,0,0,0|0,0,0]=2 446 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,2,0,0,0,0|0,0,2]=4 447 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [0,2,0,0,0,0|0,1,1]=4 448 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [0,2,0,0,0,0|0,1,1]=4 449 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,2,0,0,0,0|0,0,1]=3 450 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,2,0,0,0,0|0,0,2]=4 451 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,2,0,0,0,0|0,0,2]=4 452 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,2,0,0,0,0|0,0,0]=2 455 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,2,0,0,0,0|0,0,0]=2 456 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,2,0,0,0,0|0,0,2]=4 458 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,2,0,0,0,0|0,0,0]=2 461 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,2,0,0,0,0|0,0,2]=4 464 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,2,0,0,0,0|0,0,2]=4 467 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,2,0,0,0,0|0,0,2]=4 468 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,2,0,0,0,0|0,0,0]=2 469 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,2,0,0,0,0|0,0,0]=2 472 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,2,0,0,0,0|0,0,2]=4 474 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,2,0,0,0,0|0,0,2]=4 475 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,2,0,0,0,0|0,0,2]=4 476 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,2,0,0,0,0|0,0,0]=2 478 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,2,0,0,0,0|0,0,1]=3 481 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,2,0,0,0,0|0,0,2]=4 483 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,2,0,0,0,0|0,0,2]=4 484 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,2,0,0,0,0|0,0,2]=4 486 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,2,0,0,0,0|0,0,0]=2 489 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,2,0,0,0,0|0,0,1]=3 490 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,2,0,0,0,0|0,0,2]=4 491 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,2,0,0,0,0|0,0,2]=4 492 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,2,0,0,0,0|0,0,2]=4 493 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,2,0,0,0,0|0,0,2]=4 495 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,2,0,0,0,0|0,0,1]=3 500 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,2,0,0,0,0|0,0,2]=4 501 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,2,0,0,0,0|0,0,2]=4 502 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,2,0,0,0,0|0,0,0]=2 503 B12R1.118 N#CC(=CC1=CC=CC=C1)C#N CNP0055306.0 [0,2,0,0,0,0|1,0,1]=4 504 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,0,1,1,0,0|1,0,1]=4 505 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,0,1,1,0,0|0,0,2]=4 506 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,0,1,1,0,0|2,0,0]=4 507 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [0,0,1,1,0,0|1,0,0]=3 508 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [0,0,1,1,0,0|0,0,2]=4 509 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,0,1,1,0,0|1,0,1]=4 510 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [0,0,1,1,0,0|1,0,0]=3 511 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,0,1,1,0,0|1,0,1]=4 512 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,0,1,1,0,0|1,0,1]=4 513 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,0,1,1,0,0|1,0,1]=4 514 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,0,1,1,0,0|1,0,1]=4 515 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,1,0,0|1,1,0]=4 516 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,1]=3 517 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,0]=3 518 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,1,0,0|1,0,0]=3 519 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,0]=3 520 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|2,0,0]=4 521 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|1,0,0]=3 522 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|1,0,1]=4 523 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,0]=3 524 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|2,0,0]=4 525 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 526 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,1]=3 527 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 528 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|0,1,0]=3 529 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,1,0,0|1,1,0]=4 530 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|1,1,0]=4 531 B10R2.7 C1=CN2C=CN=CC2=C1 CNP0287056.0 [1,0,0,1,0,0|2,0,0]=4 532 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,1,0,0|2,0,0]=4 533 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,1]=4 534 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,1]=3 535 B12R2.41 C1=CC2=CC=CC=C2C=CC1 CNP0496294.0 [0,0,0,1,0,1|1,0,0]=3 536 B12R2.41 C1=CC2=CC=CC=C2NN=C1 CNP0558669.0 [0,0,0,1,0,1|2,0,0]=4 537 B12R2.41 C1=CC=C2CC=CC=C2C=C1 CNP0563249.0 [0,0,0,1,0,1|1,0,0]=3 538 B12R2.586 OC1=CC=C2C1=CC=CC=C2 CNP0566607.0 [0,0,0,1,0,1|0,0,1]=3 539 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 CNP0061663.0 [0,0,0,1,0,1|1,0,0]=3 540 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,1,0,1,0,0|1,0,0]=3 542 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,1,0,1,0,0|1,0,0]=3 543 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,1,0,1,0,0|1,0,0]=3 544 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,1,0,1,0,0|1,0,0]=3 552 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,1,0,1,0,0|1,0,0]=3 553 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,1,0,1,0,0|1,0,0]=3 554 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,1,0,1,0,0|0,0,0]=2 557 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,1,0,1,0,0|0,0,0]=2 558 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,1,0,1,0,0|0,0,0]=2 559 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,1,0,1,0,0|1,0,1]=4 560 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,1,0,1,0,0|0,0,2]=4 561 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,1,0,1,0,0|0,0,2]=4 562 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|0,0,2]=4 563 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,1,0,1,0,0|1,0,1]=4 564 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,1,0,1,0,0|1,0,1]=4 565 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,1,0,1,0,0|1,0,0]=3 566 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,1,0,1,0,0|0,0,1]=3 567 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,1,0,1,0,0|0,0,1]=3 568 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|0,0,2]=4 569 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,1,0,1,0,0|1,0,0]=3 570 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,1,0,1,0,0|0,1,0]=3 572 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,1,0,1,0,0|1,0,0]=3 573 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|0,0,2]=4 574 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|0,0,2]=4 575 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,1,0,1,0,0|0,0,1]=3 577 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 CNP0534648.0 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.2 C1=CC=C(C=C1)C2=CN=CS2 CNP0313698.0 [0,1,0,1,0,0|0,1,0]=3 579 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [0,1,0,1,0,0|0,0,1]=3 580 B12R2.2 C1=CC=C(C=C1)C2=CON=C2 CNP0452957.0 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.2 C1=CN=CC(=C1)C2=CC=CN2 CNP0403248.0 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.1081 C=C1C=C[CH]C2=CC=CC=C12 CNP0546671.0 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.1081 CC1=CC=CC2=CC=CCN12 CNP0344849.0 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.1081 CC1=CC=CC2=CC=CN=C12 CNP0256900.0 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.1081 CC1=CC=CC2=CN=CC=C12 CNP0132588.0 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.1081 CC1=CC=CC2=NC=CC=C12 CNP0205038.0 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.1081 CC1=CC=CC2=NC=CN=C12 CNP0283701.0 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CNP0138798.0 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.1081 CC1=CN=CC2=CC=NC=C12 CNP0255709.0 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.1081 CC1=CN=CC2=CN=CC=C12 CNP0238746.0 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.1081 CC1=CN=NC2=CC=CC=C12 CNP0290464.0 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.1081 CC1=NC=CC2=CC=CC=C12 CNP0255450.0 [0,1,0,1,0,0|1,0,0]=3 594 B12R2.1081 CC1=NC=NC2=CC=CC=C12 CNP0159497.0 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,1,0,1,0,0|1,0,1]=4 596 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.1081 NC1=CC=CC2=CN=CC=C12 CNP0491811.0 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CNP0117074.0 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.1081 NC1=CC=NC2=CC=NC=C12 CNP0500992.0 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.1081 NC1=NC=NC2=CC=CC=C12 CNP0045001.0 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,1,0,1,0,0|0,0,0]=2 602 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,1,0,1,0,0|0,0,0]=2 603 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|0,0,2]=4 604 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|0,0,2]=4 605 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|0,0,2]=4 606 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,2]=4 607 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,1,0,1,0,0|0,0,0]=2 609 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|0,0,2]=4 611 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|0,0,0]=2 612 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|0,0,2]=4 613 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [0,1,0,1,0,0|0,0,1]=3 615 B12R2.1081 OC1=CC=CC2=CC=CN=C12 CNP0302552.0 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.1081 OC1=CC=CC2=CN=CC=C12 CNP0482477.0 [0,1,0,1,0,0|1,0,1]=4 617 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [0,1,0,1,0,0|0,0,1]=3 618 B12R2.1081 OC1=NC=NC2=CC=CC=C12 CNP0201692.0 [0,1,0,1,0,0|1,0,1]=4 619 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 CNP0590286.0 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|0,0,2]=4 622 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|0,0,2]=4 623 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|1,0,1]=4 624 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|0,0,2]=4 625 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|0,0,2]=4 627 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.2028 O=C1NC(=O)C2=NC=CC=C12 CNP0042197.0 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,1,0,0|1,0,0]=3 631 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|1,0,1]=4 634 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|1,0,1]=4 635 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,1,0,0|0,0,0]=2 638 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|0,0,2]=4 639 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.203 CC1=CC=CC2=CC=C(N12)C CNP0494193.0 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.203 CC1=CNC2=CC=CC(=C12)O CNP0370615.0 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|0,0,2]=4 644 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|1,0,1]=4 645 B12R2.612 BrC1=CC=C2C(=CNC2=C1)Br CNP0136142.0 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|0,0,2]=4 647 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.612 ClC1=CNC2=CC(=CC=C12)Br CNP0400940.0 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|0,0,2]=4 650 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|0,0,2]=4 655 B12R2.1 N#CC1=CNC2=CC=CC=C12 CNP0266284.0 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.1 NCC1=CNC2=CC=CC=C12 CNP0174270.0 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.1 O=CC1=CC=C2C1=COC=C2 CNP0236522.0 [0,1,0,1,0,0|1,0,0]=3 659 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,1,0,0|0,0,0]=2 660 B12R2.1 O=CC1=CNC2=NC=CC=C12 CNP0197893.0 [0,1,0,1,0,0|1,0,0]=3 661 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,1,0,0|0,0,2]=4 663 B12R2.1 OCC1=CC=C2C1=COC=C2 CNP0300361.0 [0,1,0,1,0,0|1,0,1]=4 664 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,1,0,0|0,0,2]=4 665 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,1,0,0|0,0,2]=4 669 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,1,0,0|0,0,2]=4 670 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|0,0,2]=4 671 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|0,0,2]=4 672 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,1,0,0|1,0,1]=4 675 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,1,0,1,0,0|0,0,2]=4 677 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,1,0,1,0,0|0,0,2]=4 678 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,0,0,0,1,0|1,0,1]=4 679 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [1,0,0,0,1,0|1,0,1]=4 680 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,1,0|1,0,1]=4 681 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,1,0|1,0,1]=4