0 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.256 C=C(C)C1=CN=C(C=N1)C(C)C CNP0352771.0 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C CNP0294593.0 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.256 CC(C)C1=CN=C(C=N1)C(C)C CNP0352769.0 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] CNP0498455.0 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.256 C[S+](C)C1=CC=C(C=C1)[S+](C)C CNP0042891.0 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.256 C[S](C)C1=CC=C(C=C1)[S](C)C CNP0551592.0 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.256 O=C(Cl)C1=CC=C(C=C1)[N+](=O)[O-] CNP0590551.0 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O CNP0502328.0 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O CNP0327537.0 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] CNP0490961.0 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [1,0,0,0,0,0|0,0,2]=3 17 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [1,0,0,0,0,0|0,0,0]=1 19 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,0,0,0,0,0|0,0,2]=3 20 B11R1.3 CC(C)C1=CC=C(CC1)C=O CNP0214622.0 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.3 CC(C)C1=CCC(=CC1)C=O CNP0210839.0 [1,0,0,0,0,0|0,0,2]=3 22 B11R1.3 CC(C)[C@@H]1C=CC(=CC1)C=O CNP0111961.1 [1,0,0,0,0,0|0,0,2]=3 23 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,0,0,0,0,0|0,0,0]=1 24 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,0,0,0,0,0|0,0,2]=3 27 B11R1.3 CCC1=CN=C(C=N1)C(=O)C CNP0280983.0 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,0,0,0,0,0|2,0,0]=3 55 B13R1.120 CC(=O)C1=CC=C(C=C1O)C(=O)O CNP0605440.0 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.120 CC(C)C1=CC=C(C(=C1)O)C(C)C CNP0389590.0 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.120 CC(C)C1=CC=C(C=C1O)C(=O)O CNP0237614.0 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.120 CC(C)C1=NC=C(C(=O)N1)C(=O)O CNP0398924.0 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O CNP0058800.0 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O CNP0313898.0 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.338 CC(C)(O)C1=CC=C(CC1)C(=O)O CNP0122077.0 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.338 CC(C)C1=CC=C(C=C1)C(C)(C)C CNP0283042.0 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.537 CC(=O)C1=CC=C(C=C1)[C@H](O)CO CNP0118446.1 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.537 CC[C@@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.1 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.537 CC[C@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.2 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.537 CN(C)C1=CC=C(C=C1)C(=NO)Cl CNP0372081.0 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N CNP0483290.0 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O CNP0165133.0 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] CNP0481897.0 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.537 O=C(O)C1=CC=C(C=C1)C(=O)CBr CNP0477948.0 [0,1,0,0,0,0|2,0,1]=4 71 B11R0.150 C=C(CC=C(C)C(=O)O)C(C)C CNP0035097.0 [0,0,1,0,0,0|1,0,2]=4 72 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)[C@@H]2CO2 CNP0487726.2 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)[C@H]2CO2 CNP0487726.1 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.4687 O=C1CC2=CC(=CC=C12)[N+](=O)[O-] CNP0549575.0 [0,0,0,1,0,0|3,0,0]=4 75 B11R1.175 CC(=O)C1=CCC(=C(C)C)C1 CNP0199541.0 [0,0,0,0,1,0|0,0,3]=4 76 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)O CNP0270069.0 [0,0,0,0,0,1|2,0,1]=4 77 B13R1.585 CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] CNP0574723.0 [0,0,0,0,0,1|3,0,0]=4 78 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C CNP0141125.0 [0,0,0,0,0,1|1,0,1]=3 79 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O CNP0307817.0 [0,0,0,0,0,1|2,0,1]=4 80 B13R1.585 CC(C)C1=CC=C(C=C1)NC(=O)N CNP0436925.0 [0,0,0,0,0,1|1,0,0]=2 81 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O CNP0471633.0 [0,0,0,0,0,1|1,0,0]=2 82 B13R1.585 CC(C)CC1=CC=C(C=C1)[C@H](C)O CNP0358956.1 [0,0,0,0,0,1|0,0,2]=3 83 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O CNP0232023.0 [0,0,0,0,0,1|1,0,0]=2 84 B13R1.585 CC(C)OC1=CC=C(C=N1)C(=O)O CNP0350538.0 [0,0,0,0,0,1|2,0,0]=3 85 B10R0.77 CC=C(C=O)C=CC=C(C)C CNP0248362.0 [1,0,1,0,0,0|0,0,2]=4 86 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [2,0,0,0,0,0|0,0,2]=4 87 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [2,0,0,0,0,0|0,0,1]=3 88 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [2,0,0,0,0,0|0,0,0]=2 92 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [2,0,0,0,0,0|0,0,1]=3 93 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [2,0,0,0,0,0|1,1,0]=4 97 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [2,0,0,0,0,0|0,0,0]=2 106 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [2,0,0,0,0,0|0,0,2]=4 111 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [2,0,0,0,0,0|0,0,1]=3 115 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [2,0,0,0,0,0|0,0,2]=4 116 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [2,0,0,0,0,0|0,0,2]=4 117 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [2,0,0,0,0,0|0,0,0]=2 123 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [2,0,0,0,0,0|0,0,2]=4 127 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [2,0,0,0,0,0|0,0,2]=4 128 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [2,0,0,0,0,0|0,0,2]=4 129 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [2,0,0,0,0,0|0,0,2]=4 130 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [2,0,0,0,0,0|1,0,1]=4 133 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [2,0,0,0,0,0|2,0,0]=4 144 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [1,1,0,0,0,0|0,0,0]=2 146 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [1,1,0,0,0,0|0,0,2]=4 148 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.5 CN(N=O)C1=CC=C(C=C1)C=O CNP0181128.0 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N CNP0062891.0 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.5 NNC(=O)C1=CC=C(C=C1)CBr CNP0035551.0 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O CNP0374991.0 [1,1,0,0,0,0|0,0,0]=2 164 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN CNP0350013.0 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [1,1,0,0,0,0|0,0,2]=4 166 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O CNP0574788.0 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.48 CC(=O)C1=CC=C(C(=O)O1)CO CNP0139436.0 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.48 CCC1=CC=C(OC1=O)C(=O)C CNP0456336.0 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.113 CC(C)C1=CC=C(C=C1)C=NO CNP0403827.0 [1,1,0,0,0,0|0,0,1]=3 179 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [1,1,0,0,0,0|0,0,1]=3 181 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.113 CCCC1=CC=C(N=C1)C(=O)O CNP0313246.0 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CNP0230094.0 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.113 CN(C)C1=CC=C(C=C1)C=NO CNP0050062.0 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [1,1,0,0,0,0|2,0,0]=4 195 B14R1.124 CC(C)OC1=CC=C(C=C1N)C(=O)O CNP0397201.0 [0,1,0,0,0,1|1,0,0]=3 196 B14R1.717 C=C[C@H](O)C1=CC=C(C=C1)OC(=O)C CNP0289552.1 [0,1,0,0,0,1|1,0,1]=4 197 B14R1.717 CC(C)CC1=CC=C(C=C1)C(C)C#N CNP0070706.0 [0,1,0,0,0,1|1,0,1]=4 198 B14R1.717 COC(=O)C1=CC=C(C=C1)OC(=O)C CNP0103381.0 [0,1,0,0,0,1|1,0,1]=4 199 B14R1.2879 CC(C)C1=CC=C(C=C1)C[C@@H](C)C=O CNP0233650.1 [0,1,0,0,0,1|0,0,1]=3 200 B14R1.2879 CC(C)C1=CC=C(C=C1)C[C@H](C)C=O CNP0233650.2 [0,1,0,0,0,1|0,0,1]=3 201 B14R1.2879 CC[C@@H](C)OC1=CC=C(C=C1)C(=O)O CNP0198108.1 [0,1,0,0,0,1|1,0,0]=3 202 B14R1.2879 CC[C@H](C)OC1=CC=C(C=C1)C(=O)O CNP0198108.2 [0,1,0,0,0,1|1,0,0]=3 203 B14R1.5801 CC(=O)NC1=CC=C(C(=C1)O)C(=O)C CNP0299364.0 [0,1,0,0,0,1|1,0,1]=4 204 B14R1.1128 CC(CO)C1=CC=C(C=C1O)C(=O)O CNP0244885.0 [0,2,0,0,0,0|1,0,0]=3 205 B14R1.6034 CC1=CC(=C(C=C1C(C)C)O)C(C)C CNP0110468.0 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.6039 CC(C)(O)C1=CC=C(C=C1O)C(=O)O CNP0357784.0 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.15547 CC1=CC(=CC(=C1C(C)C)O)C(C)C CNP0172722.0 [0,2,0,0,0,0|1,0,1]=4 208 B14R1.307 C[C@@](O)(CO)C1=CC=C(C=C1)C(=O)O CNP0579156.1 [0,2,0,0,0,0|1,0,0]=3 209 B14R1.719 COC(=O)C1=CC=C(CC1)C(C)(C)O CNP0169880.0 [0,2,0,0,0,0|0,0,2]=4 210 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)C(C)(C)C CNP0031591.0 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O CNP0483615.0 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.3332 CC(C)(O)C1=CC=C(C=C1)C(C)(C)O CNP0028530.0 [0,2,0,0,0,0|0,0,2]=4 213 B14R1.395 CCN(CC)C1=CC=C(C=C1)C(=O)O CNP0071035.0 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.610 CC(C)C1=CC=C(C=C1)C(C)CC=O CNP0556949.0 [0,2,0,0,0,0|0,0,1]=3 215 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)OC CNP0347263.0 [0,2,0,0,0,0|1,0,1]=4 216 B14R1.718 O=C(CBr)C1=CC=C(C=C1)C(=O)CBr CNP0083975.0 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.718 O=C(CCl)C1=CC=C(C=C1)C(=O)CCl CNP0250260.0 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.892 CC(C)C1=CC=C(C(=O)C=C1)O CNP0218976.0 [0,0,1,1,0,0|1,0,1]=4 219 B12R1.3092 CC1(C=CC=C(C=C1)C(=O)O)C CNP0151633.0 [0,0,1,1,0,0|1,0,0]=3 220 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [1,0,0,1,0,0|1,0,0]=3 223 B14R2.601 CC(=O)C1=CC=C2O[C@@H](CC2=C1)C CNP0250736.1 [0,0,0,1,0,1|0,0,0]=2 224 B14R2.601 CC(=O)C1=CC=C2O[C@H](CC2=C1)C CNP0250736.2 [0,0,0,1,0,1|0,0,0]=2 225 B14R2.9474 O=[N+]([O-])C1=CC=C(C=C1)CC2CC2 CNP0559154.0 [0,0,0,1,0,1|2,0,0]=4 226 B14R3.7860 O=C1CC2=CC3=C(C=C12)CC3=O CNP0050571.0 [0,0,0,2,0,0|1,0,1]=4 227 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [1,0,0,0,1,0|2,0,0]=4 228 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [1,0,0,0,1,0|2,0,0]=4 229 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [1,0,0,0,1,0|2,0,0]=4 230 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [1,0,0,0,0,1|0,0,2]=4 231 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [1,0,0,0,0,1|0,0,2]=4 232 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N CNP0139066.0 [1,0,0,0,0,1|1,0,1]=4 233 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [1,0,0,0,0,1|1,0,1]=4 234 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [1,0,0,0,0,1|1,0,0]=3 235 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [1,0,0,0,0,1|1,0,1]=4 236 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [1,0,0,0,0,1|0,0,0]=2 237 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [1,0,0,0,0,1|0,0,1]=3 238 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [1,0,0,0,0,1|0,0,0]=2 239 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [1,0,0,0,0,1|1,0,1]=4 240 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [1,0,0,0,0,1|1,0,0]=3 241 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [1,0,0,0,0,1|2,0,0]=4 242 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [1,0,0,0,0,1|2,0,0]=4 243 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [1,0,0,0,0,1|2,0,0]=4 244 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [1,0,0,0,0,1|2,0,0]=4 245 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [1,0,0,0,0,1|1,0,0]=3 246 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [1,0,0,0,0,1|2,0,0]=4 247 B12R1.258 C=C(C)C1=CC(=CC=N1)C(=O)C CNP0572722.0 [0,0,0,0,1,1|0,0,2]=4 248 B12R1.258 C=C(C)C1=CC=CC(=C1)C(C)C CNP0084858.0 [0,0,0,0,1,1|1,0,0]=3 249 B12R1.258 C=C(C)C1=CC=NC(=C1)C(=O)C CNP0485943.0 [0,0,0,0,1,1|0,0,2]=4 250 B12R1.258 CC(=O)C1=CC(=CC=N1)C(C)C CNP0485147.0 [0,0,0,0,1,1|0,0,0]=2 251 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C CNP0304319.0 [0,0,0,0,1,1|1,0,1]=4 252 B12R1.258 CC(C)C1=CC=CC(=C1)C(C)C CNP0079809.0 [0,0,0,0,1,1|1,0,1]=4 253 B14R1.419 CC(=CCC1=CC=C(C=C1)C(=O)N)C CNP0604669.0 [0,0,0,0,0,2|1,0,1]=4 254 B14R1.419 CC(=CCC1=CC=C(C=C1)C(=O)O)C CNP0170578.0 [0,0,0,0,0,2|1,0,1]=4 255 B14R1.419 CC(=O)C=CC1=CC=C(C=C1)N(C)C CNP0591718.0 [0,0,0,0,0,2|1,0,0]=3 256 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(C)C CNP0282955.0 [0,0,0,0,0,2|0,0,0]=2 257 B14R1.419 CC(=O)OCC1=CC=C(CC1)C(C)C CNP0500754.0 [0,0,0,0,0,2|0,0,2]=4 258 B14R1.419 CC(C)C1=CC=C(C=C1)C=CC(=O)O CNP0009816.0 [0,0,0,0,0,2|1,0,0]=3 259 B14R1.419 CC(C)C1=CC=C(C=C1)OCC(=O)O CNP0331259.0 [0,0,0,0,0,2|1,0,0]=3 260 B14R1.419 CN(C)C1=CC=C(C=C1)C=CC(=O)O CNP0441585.0 [0,0,0,0,0,2|2,0,0]=4 261 B14R1.805 CC(=O)NC1=CC=C(C=C1)OC(=O)C CNP0047718.0 [0,0,0,0,0,2|1,0,1]=4