0 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.1 N#CNC1=CC=C(C=C1)Cl CNP0231069.0 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [0,0,0,0,0,0|1,0,1]=2 27 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|0,0,1]=2 39 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,0]=1 61 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|0,0,2]=3 64 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,2]=3 66 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|1,0,1]=3 89 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|0,0,2]=3 94 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,1,0,0,0,0|0,0,2]=3 97 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|0,0,2]=3 98 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|0,0,2]=3 101 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,0,0,0,0|0,0,1]=2 102 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|0,0,1]=2 103 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,1,0,0,0,0|0,0,2]=3 105 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|0,0,2]=3 106 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,0|0,0,1]=2 111 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,0,0|0,0,2]=3 118 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,0,0|0,0,2]=3 122 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|0,0,3]=4 138 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.81 C=CCC1=NC=C(N=C1C)C CNP0134147.0 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,1,0,0,0,0|0,0,2]=3 156 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,1,0,0,0,0|1,0,1]=3 160 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,1,0,0,0,0|0,0,2]=3 163 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,1,0,0,0,0|0,0,2]=3 164 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [0,1,0,0,0,0|0,0,0]=1 174 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.192 C=CCC1=CN=C(C(=N1)C)C CNP0077645.0 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [0,1,0,0,0,0|0,0,2]=3 178 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [0,1,0,0,0,0|2,0,1]=4 192 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,0,0,1,0,0|1,0,2]=4 193 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,0,0,1,0,0|1,0,2]=4 197 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,0,0,1,0,0|2,0,0]=3 199 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.36 OC1=CC2=C(C=N1)N=CN2 CNP0013570.0 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.36 OC1=CC2=CC=NC2=NN1 CNP0001022.0 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.36 OC1=CC2=CC=NN2C=N1 CNP0001135.0 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.36 OC1=CC2=CC=NN2N=C1 CNP0413037.0 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.36 OC1=CC2=CN=NC2=CN1 CNP0041694.0 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.36 OC1=CC2=CN=NN2C=C1 CNP0001256.0 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.36 OC1=CC2=CNN=C2C=N1 CNP0100341.0 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.36 OC1=CC2=NC=NC2=CN1 CNP0007078.0 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.36 OC1=CC2=NC=NN2C=C1 CNP0214951.0 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,0,0,1,0,0|1,0,1]=3 210 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,0,0,1,0,0|0,0,0]=1 211 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,0,0,1,0,0|0,0,2]=3 212 B11R2.36 OC1=CC=C2N=NC=C2N1 CNP0008431.0 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,0,0,1,0,0|1,0,0]=2 214 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.36 OC1=CC=C2NN=CC2=N1 CNP0001318.0 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.36 OC1=CC=C2NN=NC2=C1 CNP0361868.0 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,0,0,1,0,0|1,0,0]=2 219 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,0,0,1,0,0|1,0,2]=4 220 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.36 OC1=CN2C=CN=C2C=N1 CNP0001284.0 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.36 OC1=CN2C=CN=C2N=C1 CNP0102396.0 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.36 OC1=CN2C=NN=C2C=C1 CNP0001285.0 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.36 OC1=CN2N=CN=C2C=C1 CNP0316501.0 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.36 OC1=CN=C2N=CC=C2N1 CNP0001012.0 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.36 OC1=CN=C2NC=NC2=C1 CNP0001319.0 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.36 OC1=CNC2=NC=CC2=N1 CNP0001018.0 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.36 OC1=CNC2=NN=CC2=C1 CNP0407174.0 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.36 OC1=NC2=CC=NN2C=C1 CNP0313628.0 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.36 OC1=NC=C2N=CC=C2N1 CNP0001128.0 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.36 OC1=NC=C2NC=CC2=N1 CNP0162874.0 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.36 OC1=NN2C=CN=C2C=C1 CNP0001332.0 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.36 OC1=NNC2=NC=CC2=C1 CNP0050880.0 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.36 ON1C=C2C=CN=C2C=N1 CNP0285039.0 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.36 ON1C=CC2=NC=CC2=N1 CNP0000965.0 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.36 ON1C=CC2=NC=NC2=C1 CNP0001276.0 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.36 ON1C=CC2=NN=CC2=C1 CNP0290039.0 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.36 ON1C=NC2=NC=CC2=C1 CNP0000814.0 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,0,0,1,0,0|2,0,0]=3 240 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|1,0,0]=3 241 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [1,0,1,0,0,0|2,0,0]=4 242 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [1,0,1,0,0,0|2,0,0]=4 243 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 244 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,0]=2 245 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,0]=3 247 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [2,0,0,0,0,0|0,0,2]=4 248 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,1]=3 250 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 252 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,1]=4 253 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,1]=4 255 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,1]=4 256 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 257 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 258 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 275 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,1]=3 277 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,0]=2 282 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,0]=3 283 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|1,0,1]=4 290 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|1,0,1]=4 298 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,0]=3 301 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,1,0,0,0,0|0,0,1]=3 314 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,1]=3 342 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|0,0,1]=3 366 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|0,0,1]=3 378 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|0,0,2]=4 399 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|0,0,2]=4 400 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|0,0,2]=4 401 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,2]=4 410 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|0,0,1]=3 417 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|0,0,2]=4 423 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|0,0,2]=4 424 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,2]=4 426 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|0,0,0]=2 446 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [1,1,0,0,0,0|0,0,2]=4 450 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|0,0,2]=4 459 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,1,0,0,0,0|0,0,2]=4 461 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,1,0,0,0,0|0,0,2]=4 462 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|0,0,2]=4 464 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,1,0,0,0,0|0,0,1]=3 468 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,1]=3 485 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,2]=4 491 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|1,0,0]=3 506 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,2,0,0,0,0|0,0,2]=4 508 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,2,0,0,0,0|0,0,2]=4 509 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,2,0,0,0,0|0,0,2]=4 510 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,2,0,0,0,0|0,0,2]=4 511 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,2,0,0,0,0|0,0,2]=4 512 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [0,2,0,0,0,0|0,0,2]=4 513 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,2,0,0,0,0|0,0,1]=3 514 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [0,2,0,0,0,0|0,0,1]=3 515 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|0,0,2]=4 516 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|0,0,2]=4 517 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|0,0,2]=4 518 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|0,0,2]=4 520 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|0,0,2]=4 524 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,2,0,0,0,0|0,0,1]=3 525 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,2,0,0,0,0|0,0,1]=3 527 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,2,0,0,0,0|0,0,1]=3 528 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,2,0,0,0,0|0,0,2]=4 530 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,2,0,0,0,0|0,0,2]=4 533 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,2,0,0,0,0|0,0,2]=4 534 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,2,0,0,0,0|0,0,2]=4 535 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,2,0,0,0,0|0,0,1]=3 537 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,2,0,0,0,0|0,0,1]=3 538 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,2,0,0,0,0|0,0,1]=3 544 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,2,0,0,0,0|0,0,1]=3 553 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,2,0,0,0,0|0,0,1]=3 554 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|0,0,2]=4 555 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,2,0,0,0,0|0,0,1]=3 556 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|0,0,2]=4 557 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.49 ON=C(S)CC1=CC=C(C=C1)O CNP0205375.0 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,2,0,0,0,0|0,0,2]=4 561 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,2,0,0,0,0|0,0,2]=4 562 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,2,0,0,0,0|0,0,2]=4 563 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,2,0,0,0,0|0,0,1]=3 564 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,2,0,0,0,0|0,0,2]=4 565 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,2,0,0,0,0|0,0,2]=4 566 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,2,0,0,0,0|0,0,2]=4 570 B12R1.385 CCOCC1=CC=C(C(=C1)O)O CNP0111800.0 [0,2,0,0,0,0|0,0,2]=4 571 B12R1.385 CNCCC1=CC=C(C(=C1)Br)O CNP0131805.0 [0,2,0,0,0,0|0,0,2]=4 572 B12R1.385 CNCCC1=CC=C(C(=C1)O)O CNP0309288.0 [0,2,0,0,0,0|0,0,2]=4 573 B12R1.385 COC=CC1=CC=C(C(=C1)O)O CNP0132109.0 [0,2,0,0,0,0|0,0,2]=4 574 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,2,0,0,0,0|0,0,1]=3 575 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [0,2,0,0,0,0|0,0,2]=4 576 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [0,2,0,0,0,0|0,0,2]=4 577 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,2,0,0,0,0|0,0,2]=4 579 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,2,0,0,0,0|0,0,1]=3 580 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,2,0,0,0,0|0,0,2]=4 584 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.4 N=C(N)NC1=CC=C(C=C1)CO CNP0583861.0 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.19 C=C(C)C=C1C=CC(=O)C(=C1)C CNP0342367.0 [0,2,0,0,0,0|0,0,2]=4 588 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,2,0,0,0,0|0,0,1]=3 589 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,2,0,0,0,0|0,0,2]=4 594 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,2,0,0,0,0|0,0,1]=3 600 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,2,0,0,0,0|0,0,2]=4 605 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,2,0,0,0,0|0,0,2]=4 606 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,2,0,0,0,0|0,0,2]=4 607 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,2,0,0,0,0|0,0,2]=4 612 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,2,0,0,0,0|0,0,2]=4 613 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)O CNP0432866.0 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.106 C[N+](C)(C)CC1=CC=C(C=C1)O CNP0553852.0 [0,2,0,0,0,0|1,0,1]=4 621 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|0,0,0]=2 625 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|0,0,2]=4 626 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|0,0,2]=4 627 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,2,0,0,0,0|1,0,1]=4 628 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|1,0,1]=4 629 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,2,0,0,0,0|0,0,2]=4 631 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [0,2,0,0,0,0|1,0,1]=4 634 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,2,0,0,0,0|0,0,0]=2 639 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [0,2,0,0,0,0|0,0,2]=4 640 B12R1.1123 NCCC1=CC(=C(C=C1O)O)O CNP0204441.0 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,2,0,0,0,0|0,0,2]=4 643 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.116 COCC1=CC=C(C=C1)COC CNP0080194.0 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [0,2,0,0,0,0|0,0,2]=4 647 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,2,0,0,0,0|0,0,2]=4 648 B12R1.288 COC1=CC=C(C=C1Br)CC#N CNP0197630.0 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.44 C=CCC1=CC(=C(C(=C1)O)O)O CNP0018885.0 [0,2,0,0,0,0|0,0,0]=2 652 B12R1.44 COCC1=CC(=C(C(=C1)Br)O)Br CNP0124550.0 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.44 COCC1=CC(=C(C(=C1)Br)O)O CNP0220987.0 [0,2,0,0,0,0|1,0,1]=4 654 B12R1.44 COCC1=CC(=C(C(=C1)O)O)O CNP0298714.0 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.44 N#CCC1=CC(=C(C(=C1)Br)O)Br CNP0368424.0 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.44 NCCC1=CC(=C(C(=C1)Br)O)Br CNP0207759.0 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.44 NCCC1=CC(=C(C(=C1)O)O)O CNP0084304.0 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.44 OCCC1=CC(=C(C(=C1)Cl)O)Cl CNP0109811.0 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.44 [2H]C1=CC(=CC(=C1O)[2H])CCO CNP0589370.0 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.286 C=CCC1=CC(C(=O)C=C1)OC CNP0552207.0 [0,2,0,0,0,0|0,0,2]=4 661 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [0,2,0,0,0,0|0,0,0]=2 662 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [0,2,0,0,0,0|0,0,2]=4 663 B12R1.286 CCC1=CC(=CC=C1O)CCN CNP0541887.0 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [0,2,0,0,0,0|0,0,2]=4 666 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.286 COC1=CC(=CC=C1O)CCN CNP0308219.0 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [0,0,1,1,0,0|1,0,1]=4 672 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,1,1,0,0|2,0,0]=4 673 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,1]=4 674 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,1]=4 675 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,1,0,0|2,0,0]=4 676 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,0]=2 677 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,0]=3 678 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,1,0,0|1,0,1]=4 679 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,1]=4 680 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|2,0,0]=4 681 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|1,0,1]=4 682 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|1,0,0]=3 683 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,1,0,0|2,0,0]=4 684 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|0,0,2]=4 685 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,1]=4 686 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,0]=3 687 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|2,0,0]=4 688 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,1]=4 689 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 690 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|1,0,0]=3 691 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|2,0,0]=4 692 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,1]=4 693 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|1,0,0]=3 694 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,1,0,0|2,0,0]=4 695 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|2,0,0]=4 696 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,1,0,0|2,0,0]=4 697 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,0]=3 698 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,2]=4 699 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,2]=4 700 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,1]=4 701 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,1]=4 702 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,1]=4 703 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,1]=4 704 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 705 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,1]=4 706 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,1]=4 707 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,1,0,1,0,0|0,0,1]=3 715 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,1,0,1,0,0|1,0,1]=4 716 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,1,0,1,0,0|0,0,2]=4 717 B12R2.24 OC1=CC=C2CCNCC2=C1 CNP0284580.0 [0,1,0,1,0,0|0,0,2]=4 718 B12R2.24 OC1=CC=C2CNCCC2=C1 CNP0194768.0 [0,1,0,1,0,0|0,0,2]=4 719 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|0,0,0]=2 720 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,1,0,1,0,0|1,0,1]=4 721 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,1,0,1,0,0|0,1,1]=4 722 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|0,0,2]=4 724 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|1,0,1]=4 725 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|0,0,2]=4 726 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|0,0,1]=3 727 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.606 N=C1NC2=CC=C(C=C2N1)O CNP0547413.0 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,1,0,1,0,0|2,0,0]=4 737 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|0,0,2]=4 739 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.246 OC1=CC(=C2C=CNC2=C1)O CNP0341994.0 [0,1,0,1,0,0|1,0,1]=4 741 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,1,0,1,0,0|0,0,0]=2 743 B12R2.44 COC1=CC=C2N=CNC2=C1 CNP0503942.0 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,1,0,1,0,0|1,0,0]=3 745 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CNP0257577.0 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [0,1,0,1,0,0|1,0,1]=4 748 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,1,0,1,0,0|1,0,0]=3 749 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,1,0,1,0,0|1,0,0]=3 750 B12R2.82 CC1=C(C=CC2=C1CCC2)O CNP0145755.0 [0,1,0,1,0,0|0,0,2]=4 751 B12R2.82 CC1=CC=C2OC=CC2=C1C CNP0353341.0 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.100 CC1=CC2=C(C=C1C)OC=C2 CNP0161352.0 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.100 CC1=CC2=C(C=C1O)CCC2 CNP0233345.0 [0,1,0,1,0,0|0,0,2]=4 754 B12R2.100 O=C1C=C2C=CNC2=CC1=O CNP0225091.0 [0,1,0,1,0,0|1,0,1]=4 755 B12R2.100 OC1=CC2=C(C=C1Br)NC=C2 CNP0261567.0 [0,1,0,1,0,0|1,0,0]=3 756 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CNP0083566.0 [0,1,0,1,0,0|1,0,0]=3 757 B12R2.100 OC1=CC2=C(C=C1O)NCC2 CNP0258485.0 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,0,0,0,1,0|2,0,0]=4 759 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,0,0,0,1,0|1,0,0]=3 760 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [1,0,0,0,1,0|1,0,0]=3 761 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,1,0|2,0,0]=4