0 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,0,0,0,0|2,0,1]=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|1,0,1]=2 3 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,0,0,0,0|1,0,3]=4 28 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,0,0,0,0,0|0,0,0]=0 36 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,0,0,0,0|1,1,2]=4 40 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,0,0,0,0|2,1,1]=4 41 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|0,0,2]=3 43 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|0,1,2]=4 44 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|0,0,0]=1 53 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|2,1,0]=4 59 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|1,1,1]=4 61 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|0,0,2]=3 65 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|0,0,2]=3 67 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 72 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|0,1,0]=2 73 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|2,1,0]=4 74 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.24 OCCSC1=CN=CC(=N1)Cl CNP0423336.0 [0,1,0,0,0,0|2,1,0]=4 118 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,1,0,0,0,0|1,1,1]=4 138 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,1,0,0,0,0|0,0,2]=3 167 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,1,0,0,0,0|0,0,1]=2 173 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,1,0,0,0,0|2,0,0]=3 176 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,0,1,0,0,0|2,0,1]=4 177 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|2,0,0]=3 178 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,1,0,0,0|3,0,0]=4 179 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|1,0,2]=4 184 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|1,0,2]=4 185 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|0,0,2]=3 186 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|1,0,2]=4 187 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|1,0,1]=3 189 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|2,0,0]=3 191 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|2,0,0]=3 192 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|1,0,1]=3 195 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,0,1,0,0|2,0,0]=3 199 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|2,0,1]=4 201 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|2,0,1]=4 202 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|2,0,1]=4 203 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|2,0,1]=4 205 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,0,1,0|3,0,0]=4 206 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,0,0,0,1,0|3,0,0]=4 207 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,0,0,0,1,0|3,0,0]=4 208 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,1,0,0,0|0,0,2]=4 209 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,0,1,0,0,0|0,0,2]=4 210 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|2,0,0]=4 211 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 212 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 213 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 214 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,0]=2 220 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,0]=3 222 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,1]=3 223 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,0]=3 225 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 227 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 231 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,2]=4 232 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 233 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 234 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 235 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,1]=4 238 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 239 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 240 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 241 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 242 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 243 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,1,1,0,0,0|2,0,0]=4 244 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,1,1,0,0,0|2,0,0]=4 245 B10R0.71 C=CCC=CCC=CCCO CNP0018339.0 [0,1,1,0,0,0|1,0,1]=4 246 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,1,1,0,0,0|2,0,0]=4 247 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|0,0,0]=2 258 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|0,0,2]=4 272 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,0]=2 283 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,0]=2 296 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,2]=4 328 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,2]=4 352 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|0,0,2]=4 353 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|0,0,1]=3 355 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.29 CC1=COC=C1CCCO CNP0206041.0 [0,1,0,0,1,0|2,0,0]=4 358 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [0,2,0,0,0,0|1,1,0]=4 364 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,2,0,0,0,0|1,0,1]=4 373 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,2,0,0,0,0|1,0,1]=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|0,0,1]=3 379 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,2,0,0,0,0|0,0,1]=3 380 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,2,0,0,0,0|0,0,1]=3 381 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.69 NC1=CC=C(C(=C1)N)OCCO CNP0611677.0 [0,2,0,0,0,0|0,0,0]=2 385 B12R1.71 C#CCOC1=CC=C(C=C1)C=O CNP0167326.0 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.34 NC[C@@H](N)C(=O)C1=CC=CC=C1 CNP0340732.2 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.34 NC[C@H](N)C(=O)C1=CC=CC=C1 CNP0340732.1 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.25 OCCCC1=CC=CC(=C1O)O CNP0276683.0 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.125 CC(C)COC1=CC=CC=C1N CNP0436425.0 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,2,0,0,0,0|0,0,1]=3 413 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.374 C=CCOC1=CC(=CC=C1N)C CNP0059333.0 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.374 CCCCC1=CC(=CC=C1C)O CNP0421010.0 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.100 CCCCC1=CC(=CC(=C1)C)C CNP0235079.0 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.382 COC1=CC=CC(=C1)CCCN CNP0009838.0 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.8 S=C=NCCCC1=CC=CC=C1 CNP0186955.0 [0,2,0,0,0,0|1,1,0]=4 428 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.252 CC(C)CN=CC1=CC=CC=C1 CNP0478741.0 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,2,0,0,0,0|0,1,1]=4 446 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,2,0,0,0,0|0,0,1]=3 450 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,2,0,0,0,0|0,0,1]=3 455 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,2,0,0,0,0|0,0,1]=3 459 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.194 CC(C)(CC1=CC=CC=C1)NO CNP0387326.0 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.891 O=S(=O)(O)COC1=CC=CC=N1 CNP0045158.0 [0,2,0,0,0,0|2,0,0]=4 466 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,0]=2 467 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,0]=2 468 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|1,0,0]=3 469 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|2,0,0]=4 470 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,1]=4 471 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,0]=3 472 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|2,0,0]=4 473 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,0]=3 474 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,2]=4 475 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 476 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,0]=2 477 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|0,0,0]=2 478 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|0,2,0]=4 479 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|2,0,0]=4 480 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,1]=4 481 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,0]=3 482 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,0]=3 483 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 484 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 485 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 486 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 487 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,2]=4 488 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,0]=2 489 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,0]=2 490 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|1,0,1]=4 492 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,1,0,1,0,0|0,0,2]=4 493 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,1,0,1,0,0|0,0,1]=3 494 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.24 O[C@H]1CN=C2C=CC=CN2C1 CNP0248864.2 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.24 O[C@H]1C[NH+]=C2C=CC=CN2C1 CNP0545554.1 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|0,0,2]=4 500 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.1081 CC1=CC=CC2=C1CCCC2 CNP0246317.0 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|0,0,1]=3 507 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,2]=4 508 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|1,0,1]=4 509 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|0,0,0]=2 510 B12R2.2028 C=C1CC(C2=CC=NC=C12)O CNP0199160.0 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|1,0,1]=4 513 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.2028 C[C@H]1C[C@H](C2=CC=NC=C12)O CNP0250441.1 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,1,0,1,0,0|1,0,1]=4 524 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,1,0,0|1,0,1]=4 526 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,1,0,1,0,0|0,0,0]=2 527 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,1,0,1,0,0|1,0,1]=4 532 B12R2.18 OC1=NC2=CC=CC=C2[C@@H]1O CNP0535565.1 [0,1,0,1,0,0|1,0,1]=4 533 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|2,0,0]=4 541 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|2,0,0]=4 542 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|2,0,0]=4 543 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [1,0,0,0,1,0|2,0,0]=4 544 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [1,0,0,0,1,0|2,0,0]=4 545 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|1,0,0]=3 546 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [1,0,0,0,1,0|2,0,0]=4 547 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [1,0,0,0,1,0|2,0,0]=4 548 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [1,0,0,0,1,0|2,0,0]=4 549 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|1,0,0]=3 550 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [1,0,0,0,1,0|2,0,0]=4