0 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,0,0,0,0,0|0,0,4]=4 12 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,0,0,0,0,0|0,0,0]=0 25 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,0,0,0,0,0|0,0,0]=0 26 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 CN(N)C1=CC=[N+](C=C1)[O-] CNP0580487.0 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|0,0,2]=3 54 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|0,0,2]=3 57 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|0,0,0]=1 58 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|1,0,2]=4 81 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|0,0,2]=3 91 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|0,0,0]=1 103 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|0,0,0]=1 105 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|1,0,2]=4 113 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|1,0,2]=4 116 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,1,0,0,0,0|1,0,2]=4 124 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.3 CC(C)C1=CC=C(CC1)CO CNP0003449.0 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.3 CC(C)C1=CCC(=CC1)CO CNP0359351.0 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.3 CC(C)C1C=CC(=CC1)CO CNP0077140.0 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,1,0,0,0,0|0,0,2]=3 139 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,1,0,0,0,0|0,0,0]=1 145 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.19 CC1=CC[C@@H](C=C1)C(C)(C)O CNP0359689.2 [0,1,0,0,0,0|0,0,2]=3 163 B11R1.19 CC1=CC[C@H](C=C1)C(C)(C)O CNP0359689.1 [0,1,0,0,0,0|0,0,2]=3 164 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O CNP0300837.0 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.19 NC1=CC=C(C=C1)[As](=O)(O)O CNP0474348.0 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)[Hg] CNP0505241.0 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.21 CC1=C(C=C(CC1)C(C)C)O CNP0605783.0 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.21 CC1=C(OC(=CC1)C(C)C)C CNP0229126.0 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,1,0,0,0,0|0,0,0]=1 184 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.21 CC1=CC=C(CC1O)C(C)C CNP0592854.0 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|0,0,1]=2 199 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|1,0,2]=4 201 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,0,0|0,0,2]=3 206 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,0,0|0,0,2]=3 207 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,0,0|1,0,2]=4 208 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,0,0,0,0|0,0,2]=3 221 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,0,0,0,0|0,0,2]=3 223 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,1,0,0,0,0|1,0,2]=4 233 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [0,1,0,0,0,0|1,0,2]=4 239 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,0,1,0,0,0|1,0,1]=3 240 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,0,1,0,0,0|1,0,0]=2 241 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [0,0,1,0,0,0|1,0,2]=4 242 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,0,1,0,0,0|1,0,2]=4 243 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [0,0,1,0,0,0|1,0,2]=4 244 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,0,1,0,0,0|1,0,2]=4 245 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,0,1,0,0,0|1,0,2]=4 246 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,0,0,1,0,0|2,0,0]=3 247 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,0,0,1,0,0|0,0,2]=3 248 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,0,0,0,1,0|1,0,2]=4 249 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,0,1,0|1,0,2]=4 250 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,0,0,0,1,0|1,0,2]=4 251 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,0,0,0,1,0|1,0,2]=4 252 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,0,0,0,1,0|2,0,1]=4 253 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,0,0,0,1,0|2,0,1]=4 254 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,0,0,0,1,0|2,0,0]=3 255 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,0,0,0,1,0|2,0,1]=4 256 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,0,0,0,1,0|2,0,1]=4 257 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [0,0,0,0,1,0|3,0,0]=4 258 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [0,0,0,0,1,0|3,0,0]=4 259 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,0,0,0,1,0|1,0,2]=4 260 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,0,0,0,1,0|2,0,1]=4 261 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,0,0,0,1,0|2,0,1]=4 262 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,0,0,0,0,1|2,0,1]=4 263 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,0,0,0,0,1|1,0,2]=4 264 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,0,0,0,0,1|1,0,2]=4 265 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,0,0,0,0,1|1,0,2]=4 266 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,0,0,0,0,1|1,0,2]=4 267 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,0,0,0,0,1|1,0,2]=4 268 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,0,0,0,0,1|1,0,2]=4 269 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,0,0,0,0,1|0,0,2]=3 270 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,0,0,0,0,1|1,0,2]=4 271 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,0,0,0,0,1|2,0,0]=3 272 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,0,0,0,0,1|2,0,0]=3 273 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,0,0,0,0,1|1,0,0]=2 274 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,0,0,0,0,1|1,0,0]=2 275 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,0,0,0,0,1|2,0,1]=4 277 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,0,0,0,0,1|2,0,1]=4 278 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,0,0,0,0,1|2,0,1]=4 279 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,0,0,0,0,1|2,0,1]=4 280 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,0,0,0,0,1|2,0,0]=3 281 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,0,1,0,0,0|1,0,1]=4 282 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,0,1,0,0,0|0,0,2]=4 283 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,0,1,0,0,0|1,0,1]=4 284 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [1,0,1,0,0,0|1,0,1]=4 285 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [1,0,1,0,0,0|1,0,1]=4 286 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [1,0,1,0,0,0|2,0,0]=4 287 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,0,1,0,0,0|2,0,0]=4 288 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 289 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 290 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 291 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 300 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 301 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,2]=4 308 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 309 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 310 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 311 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 313 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,1]=4 314 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 315 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 316 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 317 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 318 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 319 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,2]=4 321 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|0,0,0]=2 323 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,0]=2 326 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,0]=3 327 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,0]=3 332 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|1,0,1]=4 335 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|1,0,1]=4 343 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [2,0,0,0,0,0|2,0,0]=4 349 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,1,1,0,0,0|1,0,1]=4 350 B10R0.44 C=CC(=CC(=O)C=C(C)C)C CNP0174615.0 [0,1,1,0,0,0|1,0,1]=4 351 B10R0.44 C=CC(=CC(=O)CC(C)C)C CNP0231823.0 [0,1,1,0,0,0|1,0,1]=4 352 B10R0.60 C=CC(=C)CC=CC(C)(C)O CNP0239894.0 [0,1,1,0,0,0|0,0,2]=4 353 B10R0.60 C=CC(=CC=CC(C)(C)O)C CNP0091003.0 [0,1,1,0,0,0|0,0,0]=2 354 B10R0.60 C=CC(=CCCC(C)(C)O)C CNP0197999.0 [0,1,1,0,0,0|0,0,2]=4 355 B10R0.60 C=C[C@@H](C)/C=C/CC(C)(C)O CNP0255179.2 [0,1,1,0,0,0|0,0,2]=4 356 B10R0.60 C=C[C@@H](C)/C=C\CC(C)(C)O CNP0255179.3 [0,1,1,0,0,0|0,0,2]=4 357 B10R0.60 C=C[C@H](C)/C=C\CC(C)(C)O CNP0255179.1 [0,1,1,0,0,0|0,0,2]=4 358 B10R0.60 CC(=CC=CC(C)(C)O)C=O CNP0353104.0 [0,1,1,0,0,0|1,0,0]=3 359 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,1]=3 360 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,1,0,0,0,0|0,0,1]=3 385 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,1,0,0,0,0|0,0,2]=4 387 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,1,0,0,0,0|0,0,1]=3 388 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,1,0,0,0,0|0,0,2]=4 395 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,1,0,0,0,0|0,1,1]=4 396 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,1,0,0,0,0|0,0,2]=4 401 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|0,0,2]=4 402 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|0,0,2]=4 405 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.25 CC1=NC=C(C(=N)N1)CO CNP0546737.0 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.25 CC1=NC=C(C(=N1)N)CO CNP0300516.0 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|0,0,0]=2 428 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|0,0,1]=3 446 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,1]=3 447 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|0,0,1]=3 448 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,1]=3 450 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|0,0,2]=4 459 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,2]=4 461 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|0,0,2]=4 463 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|0,0,1]=3 468 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|0,0,0]=2 472 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|0,0,0]=2 473 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|0,0,2]=4 488 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|0,1,0]=3 492 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|0,0,2]=4 504 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|0,0,2]=4 505 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|0,0,0]=2 508 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.14 CC(=NO)C1=CC=C(S1)C CNP0326252.0 [0,1,0,0,1,0|1,0,1]=4 522 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,1,0,0,0,1|0,0,2]=4 523 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,1,0,0,0,1|1,0,1]=4 524 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,1,0,0,0,1|1,0,0]=3 525 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,0,1|0,0,2]=4 526 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,1,0,0,0,1|1,0,1]=4 527 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,1,0,0,0,1|0,0,2]=4 528 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,1,0,0,0,1|1,0,1]=4 529 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,1,0,0,0,1|0,0,2]=4 532 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,1,0,0,0,1|0,0,2]=4 533 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,1,0,0,0,1|1,0,1]=4 534 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C CNP0202223.0 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,1,0,0,0,1|1,0,1]=4 537 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,1,0,0,0,1|1,0,1]=4 538 B12R1.20 CN(O)C(=O)C1=CC=C(C=C1)Br CNP0048624.0 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,1,0,0,0,1|1,0,0]=3 542 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,1,0,0,0,1|1,0,0]=3 543 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,1,0,0,0,1|1,0,0]=3 546 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,1,0,0,0,1|1,0,0]=3 547 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,1,0,0,0,1|0,0,1]=3 548 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,1,0,0,0,1|0,0,2]=4 549 B12R1.49 CSC(=S)NC1=CC=C(C=C1)C CNP0048196.0 [0,1,0,0,0,1|0,1,1]=4 550 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,1,0,0,0,1|1,0,0]=3 553 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Cl CNP0568459.0 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)O CNP0393410.0 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,0,1|0,0,2]=4 556 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,1,0,0,0,1|0,0,2]=4 557 B12R1.892 CC(C)C1=CC=C(C(=O)C=C1)O CNP0218976.0 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.1021 CC(C)C1=CC(=O)C(=CC=C1)O CNP0146660.0 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.1021 CC(C)C1=CC=CC(=O)C(=C1)O CNP0584336.0 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|0,0,1]=3 561 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|0,0,1]=3 562 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|0,0,2]=4 563 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|0,0,2]=4 564 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,2,0,0,0,0|0,0,0]=2 565 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|0,0,0]=2 567 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,2,0,0,0,0|0,0,2]=4 568 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,2,0,0,0,0|0,0,1]=3 570 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|0,0,2]=4 571 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O CNP0374991.0 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN CNP0350013.0 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|0,0,2]=4 582 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.113 CC(C)C1=CC=C(C=C1)C=NO CNP0403827.0 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,2,0,0,0,0|0,0,0]=2 588 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.256 BrC(Br)C1=CC=C(C=C1)C(Br)Br CNP0284083.0 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C CNP0294593.0 [0,2,0,0,0,0|0,0,2]=4 595 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.256 C[S+](C)C1=CC=C(C=C1)[S+](C)C CNP0042891.0 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.256 C[S](C)C1=CC=C(C=C1)[S](C)C CNP0551592.0 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.256 ClC(Cl)C1=CC=C(C=C1)C(Cl)Cl CNP0042469.0 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,2,0,0,0,0|0,0,2]=4 604 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,2,0,0,0,0|0,0,2]=4 607 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,2,0,0,0,0|1,0,1]=4 608 B12R1.452 C[C@@H](O)C1=COC(=CC1=O)CO CNP0212626.1 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.9 CC1=CC=C(C=C1)C(C)(C)OO CNP0272709.0 [0,2,0,0,0,0|0,0,0]=2 610 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CI CNP0027426.0 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.9 CC[C@@](C)(O)C1=CC=C(C=C1)C CNP0114687.2 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.9 CC[C@](C)(O)C1=CC=C(C=C1)C CNP0114687.1 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.9 COC(C)(C)C1=CC=C(C=C1)C CNP0279513.0 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.23 CC(C)(C)C1=CC=C(C(=C1)O)O CNP0201724.0 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.23 CC1=CC(=CC=C1O)C(C)(C)C CNP0379795.0 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.23 CC1=CC(=CC=C1S)C(C)(C)C CNP0480587.0 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)O CNP0181250.0 [0,2,0,0,0,0|0,0,0]=2 619 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)C CNP0173144.0 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,2,0,0,0,0|0,0,0]=2 621 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.56 CC1=CC=C(C=C1CO)C(C)C CNP0524285.0 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,2,0,0,0,0|0,0,2]=4 624 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|0,0,2]=4 628 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|0,0,2]=4 629 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C CNP0158912.0 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|0,0,0]=2 634 B12R1.367 CC[C@@H](C)C1=CC=C(C(=O)O1)C CNP0431455.1 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.367 CC[C@H](C)C1=CC(=C(C=N1)C)C CNP0297045.1 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|0,0,2]=4 642 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O CNP0453501.0 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.1005 CC1=C(C=C(C=C1O)C(C)C)O CNP0424233.0 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.1005 CC1=C(C=C(OC1=O)C(C)C)O CNP0131967.0 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|0,0,2]=4 652 B12R1.16 CCO[C@H](C)C1=CN=C(C=N1)C CNP0206769.1 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|0,0,2]=4 658 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,2,0,0,0,0|0,0,1]=3 659 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|0,0,0]=2 661 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|0,0,2]=4 662 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|0,0,2]=4 664 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,2,0,0,0,0|0,0,2]=4 666 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.1000 CC1=CC(=C(C(=C1)C)C(C)O)C CNP0230604.0 [0,2,0,0,0,0|0,0,0]=2 668 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,2,0,0,0,0|1,0,1]=4 669 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [0,0,1,1,0,0|2,0,0]=4 670 B10R1.302 CC1=CC=CC(C=C1)(C)C CNP0418898.0 [0,0,1,1,0,0|1,0,0]=3 671 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,0]=2 672 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,0]=2 673 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,0]=3 674 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,0]=3 675 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 676 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 677 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 678 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 679 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,2]=4 680 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,0]=2 681 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,0]=2 682 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,0,0,1,0,1|1,0,0]=3 683 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,1,0,1,0,0|0,0,0]=2 684 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,1,0,1,0,0|0,0,0]=2 685 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [0,1,0,1,0,0|0,0,2]=4 686 B12R2.290 CC1=CC=C(C=C1)C2(NN2)O CNP0347507.0 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.612 CC1=CC2=NO[N+](=C2C=C1)[O-] CNP0549955.0 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|0,0,0]=2 691 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|0,0,2]=4 692 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|0,0,2]=4 693 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.612 OB1OCC2=CC(=CC=C12)Cl CNP0572392.0 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.3028 CC1=CC(=C2C(=C1)C[C@@H]2Cl)C CNP0059933.2 [0,1,0,1,0,0|1,0,0]=3 696 B12R2.3028 CC1=CC(=C2C(=C1)C[C@H]2Cl)C CNP0059933.1 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,1,0,1,0,0|0,0,2]=4 698 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [1,0,0,0,1,0|1,0,0]=3 699 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [1,0,0,0,1,0|1,1,0]=4 700 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,0,0,0,1,0|1,0,0]=3 701 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,0,0,0,1,0|1,0,0]=3 702 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [1,0,0,0,1,0|2,0,0]=4 703 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [1,0,0,0,1,0|2,0,0]=4 704 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [1,0,0,0,1,0|2,0,0]=4 705 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [1,0,0,0,1,0|2,0,0]=4 706 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,0,0,0,1,0|2,0,0]=4 707 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,0,0,0,1,0|2,0,0]=4 708 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [1,0,0,0,1,0|2,0,0]=4 709 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [1,0,0,0,1,0|2,0,0]=4 710 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,0,0,0,1,0|2,0,0]=4 711 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,0,0,0,1,0|2,0,0]=4 712 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|1,0,1]=4 713 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,0,0,0,1,0|2,0,0]=4 714 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [1,0,0,0,1,0|2,0,0]=4 715 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,0,0,0,1,0|1,0,0]=3 716 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [1,0,0,0,1,0|1,0,0]=3 717 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,0,0,0,1,0|1,1,0]=4 718 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,1|1,0,1]=4 719 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,1|1,0,1]=4 720 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,1|1,0,1]=4 721 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,1|0,0,2]=4 722 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,1|0,0,2]=4 723 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,1|0,0,2]=4 724 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,1|0,1,1]=4 725 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,0,1|1,0,0]=3 726 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,0,0,0,0,1|2,0,0]=4 727 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,0,0,0,0,1|2,0,0]=4 728 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,0,0,0,0,1|1,0,0]=3 729 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,0,1|2,0,0]=4 730 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,0,1|1,0,0]=3 731 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,0,1|1,0,0]=3 732 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,0,1|1,0,1]=4 733 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,0,1|1,0,1]=4 734 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,0,1|1,0,1]=4 735 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,0,0,0,0,2|0,0,2]=4 736 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,0,0,0,0,2|0,0,2]=4 737 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,0,0,0,0,2|2,0,0]=4 738 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,0,0,0,0,2|1,0,1]=4 739 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,0,0,0,0,2|1,0,1]=4 740 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,0,0,0,0,2|1,0,0]=3 741 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,0,0,0,0,2|1,0,0]=3