0 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.22 CC1=CC[C@@H](CC1)[C@H](C)C=O CNP0322178.1 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.22 CC1CC=C(CC1)C(C)C=O CNP0139621.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|0,0,1]=2 40 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [1,0,0,0,0,0|0,0,3]=4 41 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [1,0,0,0,0,0|0,0,3]=4 43 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [1,0,0,0,0,0|0,0,3]=4 44 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|0,0,1]=2 46 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,0,0,0,0,0|0,0,3]=4 51 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [1,0,0,0,0,0|0,0,3]=4 56 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [1,0,0,0,0,0|0,0,3]=4 57 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,0,0,0,0,0|0,0,1]=2 63 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|0,0,1]=2 64 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|0,0,1]=2 65 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [1,0,0,0,0,0|0,0,3]=4 67 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [1,0,0,0,0,0|0,0,3]=4 68 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [1,0,0,0,0,0|0,0,3]=4 69 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [1,0,0,0,0,0|0,0,3]=4 70 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,0,0,0,0,0|0,0,2]=3 88 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,0,0,0,0,0|1,0,2]=4 89 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,0,0,0,0,0|1,0,2]=4 94 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,0,0,0,0,0|0,0,0]=1 95 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,0,0,0,0,0|1,0,1]=3 105 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,0,0,0,0,0|0,0,2]=3 106 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,0,0,0,0,0|1,0,1]=3 108 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,0,0,0,0,0|1,0,2]=4 115 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,0,0,0,0,0|1,0,2]=4 116 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,0,0,0,0,0|2,0,1]=4 119 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.5 CN(N=O)C1=CC=C(C=C1)C=O CNP0181128.0 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,1,0,0,0,0|1,0,2]=4 129 B12R1.9 CC1=CC=C(C=C1)C(C)(C)OO CNP0272709.0 [0,1,0,0,0,0|1,0,1]=3 130 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.9 CC[C@@](C)(O)C1=CC=C(C=C1)C CNP0114687.2 [0,1,0,0,0,0|1,0,1]=3 132 B12R1.9 CC[C@](C)(O)C1=CC=C(C=C1)C CNP0114687.1 [0,1,0,0,0,0|1,0,1]=3 133 B12R1.9 COC(C)(C)C1=CC=C(C=C1)C CNP0279513.0 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,1,0,0,0,0|0,0,0]=1 140 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,1,0,0,0,0|0,0,0]=1 141 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,1,0,0,0,0|0,0,2]=3 150 B12R1.367 CC=C(C)C1=CC=C(C(=O)O1)C CNP0209736.0 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.367 CC[C@@H](C)C1=CC=C(C(=O)O1)C CNP0431455.1 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.367 CC[C@H](C)C1=CC(=C(C=N1)C)C CNP0297045.1 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,1,0,0,0,0|0,0,2]=3 156 B12R2.290 CC1=CC=C(C=C1)C2(NN2)O CNP0347507.0 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,0,0,1,0,0|2,0,1]=4 158 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,0,0,1,0,0|2,0,1]=4 159 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,0,0,1,0,0|0,0,2]=3 160 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,0,0,1,0,0|2,0,1]=4 161 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,0,0,0,0,1|0,0,0]=1 162 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,0,0,0,0,1|2,0,0]=3 163 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [1,0,1,0,0,0|0,0,1]=3 164 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [1,0,1,0,0,0|0,0,1]=3 165 B9R0.1 C=C[C@@H](C)/C=C/CC(=C)C CNP0269369.1 [1,0,1,0,0,0|1,0,1]=4 166 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [1,0,1,0,0,0|1,0,1]=4 167 B9R0.1 C=C[C@@H](C)/C=C\CC(=C)C CNP0269369.2 [1,0,1,0,0,0|1,0,1]=4 168 B9R0.1 C=C[C@H](C)/C=C\CC(=C)C CNP0269369.3 [1,0,1,0,0,0|1,0,1]=4 169 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|0,0,1]=3 170 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 172 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|0,0,0]=2 173 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|0,0,1]=3 174 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,0]=2 178 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|1,0,1]=4 194 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|1,0,1]=4 195 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|1,0,1]=4 199 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|1,0,1]=4 200 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 204 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 205 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,1]=4 206 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,0]=2 208 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,0,2]=4 212 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|0,1,1]=4 214 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|0,0,1]=3 215 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|0,0,1]=3 217 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|0,0,1]=3 221 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|1,0,1]=4 223 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|0,0,1]=3 225 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|0,0,1]=3 227 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|1,0,1]=4 231 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|1,0,1]=4 233 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|2,0,0]=4 238 B11R0.174 CC(=CC=CC(=CC=O)C)C=O CNP0344169.0 [0,1,1,0,0,0|0,0,1]=3 239 B11R0.320 C=CC(=CC=CC(C)(C)OC)C CNP0140445.0 [0,1,1,0,0,0|2,0,0]=4 240 B11R0.162 C/C=C/C=C(/C=O)\[C@@H](O)C(=O)C CNP0175292.1 [0,1,1,0,0,0|2,0,0]=4 241 B11R0.162 C/C=C/C=C(\C=O)/[C@@H](O)C(=O)C CNP0175292.2 [0,1,1,0,0,0|2,0,0]=4 242 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,1,0,0,0,0|0,0,1]=3 244 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [1,1,0,0,0,0|0,0,2]=4 279 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [1,1,0,0,0,0|0,0,2]=4 288 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [1,1,0,0,0,0|0,0,2]=4 289 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,1,0,0,0,0|0,0,1]=3 290 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|0,0,1]=3 291 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,1,0,0,0,0|0,0,1]=3 294 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|0,0,1]=3 298 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|0,0,1]=3 304 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|0,0,1]=3 305 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,1,0,0,0,0|0,0,1]=3 307 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [1,1,0,0,0,0|0,0,1]=3 312 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [1,1,0,0,0,0|0,0,2]=4 316 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|0,0,1]=3 317 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|0,0,1]=3 319 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|0,0,1]=3 325 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|0,0,1]=3 326 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [1,1,0,0,0,0|0,0,1]=3 328 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [1,1,0,0,0,0|0,0,1]=3 330 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [1,1,0,0,0,0|0,0,1]=3 332 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [1,1,0,0,0,0|0,0,1]=3 338 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [1,1,0,0,0,0|0,0,1]=3 341 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [1,1,0,0,0,0|0,0,2]=4 343 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [1,1,0,0,0,0|0,0,2]=4 345 B11R1.7 C[C@@](N)(CN)C1=CC=CC=C1 CNP0275184.1 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.7 C[C@](N)(C#N)C1=CC=CC=C1 CNP0276998.1 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [1,1,0,0,0,0|0,0,1]=3 348 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,0,0]=2 354 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [1,1,0,0,0,0|0,1,1]=4 358 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [1,1,0,0,0,0|0,1,1]=4 359 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [1,1,0,0,0,0|0,0,0]=2 366 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.15 CC1=CC=C(O1)C(C)CC=O CNP0108056.0 [0,1,0,0,1,0|1,0,0]=3 381 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [0,1,0,0,0,1|0,0,1]=3 382 B13R1.21 CNC(C)C(=O)C1=CC=C(C=C1)C CNP0475628.0 [0,1,0,0,0,1|2,0,0]=4 383 B13R1.21 NC(C=O)C(O)C1=CC=C(C=C1)O CNP0494844.0 [0,1,0,0,0,1|2,0,0]=4 384 B13R1.21 NC(C=O)C(O)C1=CC=C(C=C1)O CNP0520279.0 [0,1,0,0,0,1|2,0,0]=4 385 B13R1.21 NC(C=O)C(O)C1=CC=C(C=C1)O CNP0535024.0 [0,1,0,0,0,1|2,0,0]=4 386 B13R1.21 NC(C=O)C(O)C1=CC=C(C=C1)O CNP0551041.0 [0,1,0,0,0,1|2,0,0]=4 387 B13R1.133 CC(=CC1=CC=C(C=C1)I)C(=O)O CNP0438539.0 [0,1,0,0,0,1|1,0,1]=4 388 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,1,0,0,0,1|1,0,1]=4 389 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [0,1,0,0,0,1|1,0,1]=4 390 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,1,0,0,0,1|2,0,0]=4 391 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,1,0,0,0,1|2,0,0]=4 392 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,1,0,0,0,1|1,0,0]=3 393 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,1,0,0,0,1|1,0,1]=4 394 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,1,0,0,0,1|1,0,0]=3 395 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [0,1,0,0,0,1|2,0,0]=4 396 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,1,0,0,0,1|2,0,0]=4 397 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,1,0,0,0,1|2,0,0]=4 398 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,1,0,0,0,1|2,0,0]=4 400 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,1,0,0,0,1|2,0,0]=4 401 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,1,0,0,0,1|2,0,0]=4 402 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,1,0,0,0,1|2,0,0]=4 403 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,1,0,0,0,1|2,0,0]=4 409 B13R1.2879 N[C@H](C=O)CC1=CC=C(C(=C1)O)O CNP0552942.1 [0,1,0,0,0,1|2,0,0]=4 410 B13R1.36 CCC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0597821.2 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.36 CCC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0597821.1 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)N CNP0144847.0 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)O CNP0281347.0 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.36 COC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0249424.1 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0485785.2 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)C(=O)O CNP0292670.1 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0485785.1 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.36 N#CC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0591542.1 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.36 N#CC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0591542.2 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.39 COC1=CC=C(C=C1)C(CO)OC CNP0495050.0 [0,2,0,0,0,0|0,0,2]=4 421 B13R1.39 COC1=CC=C(C=C1)C(OC)OC CNP0234292.0 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.272 CC1=CC=C(C=C1O)C(C)(O)CO CNP0127978.0 [0,2,0,0,0,0|0,0,2]=4 423 B13R1.272 COC(C)(C)C1=CC=C(C(=C1)O)C CNP0153685.0 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.522 CC1=CC=C(C=C1)[C@@](C)(Cl)C(=O)O CNP0461015.2 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.522 CC1=CC=C(C=C1)[C@](C)(Cl)C(=O)O CNP0461015.1 [0,2,0,0,0,0|0,0,0]=2 426 B13R1.522 C[C@@](N)(C(=O)O)C1=CC=C(C=C1)O CNP0485599.1 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.522 C[C@](N)(C(=O)O)C1=CC=C(C=C1)O CNP0485599.2 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.522 C[C@](O)(C(=O)O)C1=CC=C(C=C1)O CNP0075420.1 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.710 CC[C@@](C)(OC)C1=CC=C(C=C1)C CNP0055490.2 [0,2,0,0,0,0|1,0,1]=4 430 B13R1.710 CC[C@](C)(OC)C1=CC=C(C=C1)C CNP0055490.1 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.4183 C=CC(C)(C)C1=CC=C(C=C1O)O CNP0246598.0 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.4183 CC1=CC=C(C(=C1)O)[C@@](C)(O)CO CNP0270587.1 [0,2,0,0,0,0|0,0,2]=4 433 B13R1.4183 CC1=CC=C(C(=C1)O)[C@](C)(O)CO CNP0270587.2 [0,2,0,0,0,0|0,0,2]=4 434 B13R1.706 CC=C(C(=O)O)C1=CC=C(C=C1)O CNP0187958.0 [0,2,0,0,0,0|1,0,1]=4 435 B13R1.706 CC[C@@H](C(=O)O)C1=CC=C(C=C1)C CNP0466112.1 [0,2,0,0,0,0|0,0,0]=2 436 B13R1.706 CC[C@H](C(=O)O)C1=CC=C(C=C1)C CNP0466112.2 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.961 CC1=CC=C(C(=C1)O)C(CO)CO CNP0309455.0 [0,2,0,0,0,0|0,0,2]=4 438 B13R1.17 C=CCC[C@H](C)C1=CC=C(C=C1)C CNP0003610.1 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.17 CC1=CC=C(C=C1)[C@H](C)CCC=O CNP0199837.1 [0,2,0,0,0,0|0,0,0]=2 440 B13R1.132 CC(=CC(=O)O)C1=CC=C(C=C1)C CNP0475378.0 [0,2,0,0,0,0|0,0,1]=3 441 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [0,2,0,0,0,0|0,0,0]=2 442 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.132 CC(=O)N[C@@H](C)C1=CC=C(N=C1)C CNP0191708.1 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.466 CC(=CC=O)C1=CC=C(C(=O)O1)C CNP0267185.0 [0,2,0,0,0,0|1,0,1]=4 451 B13R1.163 CC(=O)C(=O)C1=CC=C(C=C1O)C CNP0147494.0 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.163 CC(=O)[C@@H](C)C1=CC=C(C=C1O)C CNP0325970.1 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.163 CC(=O)[C@@H](O)C1=CC=C(C=C1O)C CNP0151218.2 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.163 CC(=O)[C@H](O)C1=CC=C(C=C1O)C CNP0151218.1 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.163 N[C@@H](C(=O)O)C1=CC=C(C=C1Cl)Cl CNP0491467.1 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.163 N[C@H](C(=O)O)C1=CC=C(C=C1Cl)Cl CNP0491467.2 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.510 N[C@H](C(=O)O)C1=CC=C(C(=C1)Cl)O CNP0381317.1 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.510 O=C(O)[C@@H](O)C1=CC=C(C(=C1)O)O CNP0143159.2 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.510 O=C(O)[C@H](O)C1=CC=C(C(=C1)O)O CNP0143159.1 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.49 COC1=CC(=CC=C1O)C(O)C=O CNP0022427.0 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.2678 CC=C(C)C1=CC(=C(C(=C1)O)C)O CNP0417299.0 [0,2,0,0,0,0|1,0,1]=4 462 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,0,1,1,0,0|0,0,2]=4 463 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [1,0,0,1,0,0|2,0,0]=4 464 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [1,0,0,1,0,0|1,0,1]=4 465 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|1,0,1]=4 466 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [1,0,0,1,0,0|2,0,0]=4 467 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [1,0,0,1,0,0|2,0,0]=4 469 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [1,0,0,1,0,0|0,0,0]=2 470 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [1,0,0,1,0,0|0,0,1]=3 471 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,1]=4 472 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|1,0,1]=4 473 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|0,1,1]=4 474 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|1,0,0]=3 475 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|1,0,0]=3 476 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 477 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [1,0,0,1,0,0|1,0,1]=4 478 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [1,0,0,1,0,0|1,0,1]=4 479 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [1,0,0,1,0,0|1,0,1]=4 480 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [1,0,0,1,0,0|1,0,1]=4 481 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [1,0,0,1,0,0|1,0,0]=3 482 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [1,0,0,1,0,0|1,0,0]=3 483 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [1,0,0,1,0,0|1,0,0]=3 484 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [1,0,0,1,0,0|1,0,0]=3 485 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [1,0,0,1,0,0|1,0,1]=4 486 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [1,0,0,1,0,0|1,0,1]=4 487 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CNP0580911.0 [0,0,0,1,0,1|1,0,1]=4 488 B13R2.3028 CC1=CC=C2OC(C(=O)C2=C1)C CNP0531484.0 [0,0,0,1,0,1|0,0,0]=2 489 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,0,0,1,0,1|1,0,1]=4 490 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,0,0,1,0,1|1,0,1]=4 491 B13R2.93 COC1=CC=C2C(=C1)C[C@@H]2C#N CNP0029799.1 [0,1,0,1,0,0|1,0,1]=4 492 B13R2.93 COC1=CC=C2C(=C1)C[C@H]2C#N CNP0029799.2 [0,1,0,1,0,0|1,0,1]=4 493 B13R2.2112 COC1=CC=C2C(=O)C(=O)C2=C1 CNP0418435.0 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.662 CC1=CC=C2C(=COC2=C1)CO CNP0306512.0 [0,1,0,1,0,0|0,0,2]=4 495 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,1,0,0|1,0,1]=4 496 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [0,1,0,1,0,0|1,0,1]=4 497 B13R2.5190 CC1=C2C=CN(C=C2OC1=O)C CNP0603753.0 [0,1,0,1,0,0|1,0,1]=4 498 B13R2.5190 CC1=CC=C2C(=C1)OC(=O)C2C CNP0002673.0 [0,1,0,1,0,0|0,0,0]=2 499 B13R2.5190 CN1C(=O)CC2=CC(=CC=C12)Br CNP0119726.0 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.5190 CN1C(=O)SC2=CC(=CC=C12)O CNP0254565.0 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [1,0,0,0,1,0|2,0,0]=4 502 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [1,0,0,0,1,0|1,0,1]=4 503 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [1,0,0,0,1,0|1,0,1]=4 504 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [1,0,0,0,1,0|1,0,1]=4 505 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [1,0,0,0,1,0|1,0,1]=4 506 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [1,0,0,0,1,0|1,0,1]=4 507 B11R0.106 CC(=CC=CC=C(C)C=O)C=O CNP0344167.0 [0,0,1,0,0,1|1,0,1]=4 508 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [1,0,0,0,0,1|1,0,1]=4 509 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,0,0,0,0,1|0,0,1]=3 510 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [1,0,0,0,0,1|2,0,0]=4 511 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,0,0,0,0,1|1,0,0]=3 512 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,0,0,0,0,1|2,0,0]=4 513 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,0,0,0,0,1|2,0,0]=4 514 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,0,0,0,0,1|0,0,0]=2 515 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,0,0,0,0,1|1,0,0]=3 516 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,0,0,0,0,1|1,0,0]=3 517 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,0,0,0,0,1|1,0,0]=3 518 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,0,0,0,0,1|1,0,0]=3 519 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,0,0,0,0,1|1,0,1]=4 520 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [0,0,0,0,0,2|2,0,0]=4