0 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [0,0,0,0,0,0|0,0,4]=4 6 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [0,0,0,0,0,0|0,0,4]=4 7 B10R1.13 C=C1CC=C(CC1)C(C)C CNP0371401.0 [0,0,0,0,0,0|0,0,4]=4 8 B10R1.13 CC(=C1C=C[C@@H](CC1)C)C CNP0405385.2 [0,0,0,0,0,0|0,0,4]=4 9 B10R1.13 CC(=C1C=C[C@H](CC1)C)C CNP0405385.1 [0,0,0,0,0,0|0,0,4]=4 10 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,0,0,0,0,0|1,0,3]=4 17 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [0,0,0,0,0,0|0,0,2]=2 22 B10R1.13 CC(C)C1=CC[C@@H](CC1)C CNP0287005.1 [0,0,0,0,0,0|0,0,4]=4 23 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [0,0,0,0,0,0|0,0,2]=2 24 B10R1.13 CC(C)C1=CC[C@H](CC1)C CNP0287005.2 [0,0,0,0,0,0|0,0,4]=4 25 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,0,0,0,0,0|1,0,3]=4 26 B10R1.13 CC(C)[C@@H]1C=C[C@@H](CC1)C CNP0084021.1 [0,0,0,0,0,0|0,0,4]=4 27 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,0,0,0,0,0|1,0,3]=4 28 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,0,0,0,0,0|0,0,0]=0 34 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [0,0,0,0,0,0|0,0,2]=2 38 B10R1.13 CC1=CCC(=C(C)C)CC1 CNP0160264.0 [0,0,0,0,0,0|0,0,4]=4 39 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [0,0,0,0,0,0|0,0,2]=2 40 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,0,0,0,0,0|0,0,2]=2 41 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,0,0,0,0,0|0,0,4]=4 42 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,0,0,0,0,0|0,0,2]=2 43 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,0,0,0,0,0|0,0,4]=4 44 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.13 CN(N)C1=CC=[N+](C=C1)[O-] CNP0580487.0 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|0,0,2]=3 63 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|0,0,0]=1 72 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|0,0,2]=3 98 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|0,0,0]=1 104 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|1,0,0]=2 105 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,0,0,0,0,0|0,0,2]=3 106 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|1,0,0]=2 112 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,1,0,0,0,0|0,0,3]=4 129 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,1,0,0,0,0|0,0,1]=2 130 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.3 CC(C)C1=CC=C(CC1)C=O CNP0214622.0 [0,1,0,0,0,0|0,0,3]=4 132 B11R1.3 CC(C)C1=CC=C(CC1)CO CNP0003449.0 [0,1,0,0,0,0|0,0,2]=3 133 B11R1.3 CC(C)C1=CCC(=CC1)C=O CNP0210839.0 [0,1,0,0,0,0|0,0,3]=4 134 B11R1.3 CC(C)C1=CCC(=CC1)CO CNP0359351.0 [0,1,0,0,0,0|0,0,2]=3 135 B11R1.3 CC(C)C1C=CC(=CC1)CO CNP0077140.0 [0,1,0,0,0,0|0,0,2]=3 136 B11R1.3 CC(C)[C@@H]1C=CC(=CC1)C=O CNP0111961.1 [0,1,0,0,0,0|0,0,3]=4 137 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.19 CC1=CC[C@@H](C=C1)C(C)(C)O CNP0359689.2 [0,1,0,0,0,0|0,0,2]=3 165 B11R1.19 CC1=CC[C@H](C=C1)C(C)(C)O CNP0359689.1 [0,1,0,0,0,0|0,0,2]=3 166 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,1,0,0,0,0|0,0,2]=3 167 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [0,1,0,0,0,0|0,0,3]=4 168 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.21 CC(C)C1=CC(=O)[C@H](CC1)C CNP0214671.1 [0,1,0,0,0,0|0,0,3]=4 174 B11R1.21 CC1=C(C=C(CC1)C(C)C)O CNP0605783.0 [0,1,0,0,0,0|0,0,2]=3 175 B11R1.21 CC1=C(OC(=CC1)C(C)C)C CNP0229126.0 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.21 CC1=CC=C(CC1O)C(C)C CNP0592854.0 [0,1,0,0,0,0|0,0,2]=3 184 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.21 CC1=CC[C@@H](CC1=O)C(C)C CNP0402519.1 [0,1,0,0,0,0|0,0,3]=4 186 B11R1.21 CC1=CC[C@H](CC1=O)C(C)C CNP0402519.2 [0,1,0,0,0,0|0,0,3]=4 187 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|0,0,1]=2 192 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|0,0,0]=1 193 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [0,1,0,0,0,0|0,0,3]=4 217 B11R1.166 CC(C)[C@@H]1C=C[C@H](CC1=O)C CNP0154586.1 [0,1,0,0,0,0|0,0,3]=4 218 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CNP0331919.0 [0,1,0,0,0,0|0,0,3]=4 220 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C CNP0256270.1 [0,1,0,0,0,0|0,0,3]=4 221 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C CNP0256270.2 [0,1,0,0,0,0|0,0,3]=4 222 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,1,0,0,0,0|0,0,0]=1 225 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,1,0,0,0,0|0,0,0]=1 228 B11R1.166 CC1=CC[C@H](C(=O)C1)C(C)C CNP0354398.1 [0,1,0,0,0,0|0,0,3]=4 229 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [0,1,0,0,0,0|0,0,2]=3 230 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,0,1,0,0,0|0,0,2]=3 231 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,0,1,0,0,0|0,0,0]=1 232 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [0,0,1,0,0,0|0,0,2]=3 233 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,0,1,0,0,0|0,0,2]=3 234 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [0,0,1,0,0,0|0,0,2]=3 235 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,0,1,0,0,0|1,0,2]=4 236 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,0,1,0,0,0|0,0,2]=3 237 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,0,1,0,0,0|0,0,2]=3 238 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,0,1,0,0,0|2,0,1]=4 239 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,0,0,1,0,0|1,0,0]=2 240 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,0,0,1,0,0|1,0,1]=3 241 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,0,0,0,1,0|2,0,1]=4 242 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,0,1,0|2,0,1]=4 243 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,0,0,0,1,0|2,0,1]=4 244 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,0,0,0,1,0|2,0,1]=4 245 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,0,0,0,1,0|1,0,2]=4 246 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,0,1,0|2,0,1]=4 247 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,0,0,0,1,0|2,0,1]=4 248 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,0,0,0,1,0|2,0,1]=4 249 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,0,0,0,1,0|1,0,0]=2 250 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [0,0,0,0,1,0|2,0,0]=3 252 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,0,0,0,0,1|1,0,2]=4 253 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,0,0,0,0,1|2,0,1]=4 254 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,0,0,0,0,1|2,0,1]=4 255 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,0,0,0,0,1|2,0,1]=4 256 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,0,0,0,0,1|2,0,1]=4 257 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,0,0,0,0,1|2,0,1]=4 258 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,0,0,0,0,1|2,0,1]=4 259 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,0,0,0,0,1|1,0,1]=3 260 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,0,0,0,0,1|2,0,1]=4 261 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,0,0,0,0,1|1,0,0]=2 262 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,0,0,0,0,1|2,0,0]=3 263 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,0,0,0,0,1|0,0,0]=1 264 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,0,0,0,0,1|1,0,0]=2 265 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,0,0,0,0,1|2,0,0]=3 266 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,0,0,0,0,1|1,0,0]=2 267 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,0,1,0,0,0|1,0,1]=4 268 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|0,0,2]=4 269 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,0,1,0,0,0|0,0,1]=3 270 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [1,0,1,0,0,0|1,0,1]=4 271 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,0,1,0,0,0|1,0,1]=4 272 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [1,0,1,0,0,0|0,0,1]=3 273 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,0,1,0,0,0|2,0,0]=4 274 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 275 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 276 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 277 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 286 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|1,0,1]=4 299 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 304 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|1,0,1]=4 306 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 307 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|0,0,0]=2 308 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|2,0,0]=4 332 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,1,1,0,0,0|0,0,1]=3 333 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [0,1,1,0,0,0|0,0,2]=4 334 B10R0.44 C=CC(=CC(=O)C=C(C)C)C CNP0174615.0 [0,1,1,0,0,0|0,0,1]=3 335 B10R0.44 C=CC(=CC(=O)CC(C)C)C CNP0231823.0 [0,1,1,0,0,0|0,0,1]=3 336 B10R0.44 C=CC(=CC(O)C=C(C)C)C CNP0546844.0 [0,1,1,0,0,0|0,0,2]=4 337 B10R0.60 C=CC(=C)CC=CC(C)(C)O CNP0239894.0 [0,1,1,0,0,0|0,0,2]=4 338 B10R0.60 C=CC(=CC=CC(C)(C)O)C CNP0091003.0 [0,1,1,0,0,0|0,0,0]=2 339 B10R0.60 C=CC(=CCCC(C)(C)O)C CNP0197999.0 [0,1,1,0,0,0|0,0,2]=4 340 B10R0.60 C=C[C@@H](C)/C=C/CC(C)(C)O CNP0255179.2 [0,1,1,0,0,0|0,0,2]=4 341 B10R0.60 C=C[C@@H](C)/C=C\CC(C)(C)O CNP0255179.3 [0,1,1,0,0,0|0,0,2]=4 342 B10R0.60 C=C[C@H](C)/C=C\CC(C)(C)O CNP0255179.1 [0,1,1,0,0,0|0,0,2]=4 343 B10R0.60 CC(=CC=CC(C)(C)O)C=O CNP0353104.0 [0,1,1,0,0,0|1,0,0]=3 344 B10R0.77 CC=C(C=O)C=CC=C(C)C CNP0248362.0 [0,1,1,0,0,0|1,0,1]=4 345 B10R0.82 C=C[C@H](C)/C=C\[C@H](O)C(C)C CNP0313369.1 [0,1,1,0,0,0|0,0,2]=4 346 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,1]=3 347 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,1]=3 350 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|0,0,2]=4 385 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|0,0,2]=4 405 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|0,0,0]=2 410 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,1]=3 426 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|0,0,1]=3 428 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|0,0,1]=3 441 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,0]=2 442 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|0,0,1]=3 444 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [1,1,0,0,0,0|0,0,0]=2 457 B10R1.28 CC(C)(C)C1=CC=CCC1 CNP0063000.0 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|0,0,2]=4 461 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.61 CC1=C(C=COC1)C(C)C CNP0183194.0 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.58 CC1=C(OC(=N1)C(C)C)C CNP0140800.0 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.58 CC1=C(SC(=N1)C(C)C)C CNP0271534.0 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.59 CC1=NN(C(=C1)C)C(C)C CNP0055107.0 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [0,1,0,0,1,0|0,0,2]=4 488 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,1,0,0,0,1|1,0,1]=4 489 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,1,0,0,0,1|0,0,1]=3 490 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,1,0,0,0,1|0,0,0]=2 491 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,0,1|1,0,1]=4 492 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,1,0,0,0,1|0,0,1]=3 493 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,1,0,0,0,1|1,0,1]=4 494 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,1,0,0,0,1|1,0,0]=3 495 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,1,0,0,0,1|1,0,0]=3 496 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,1,0,0,0,1|1,0,1]=4 497 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,1,0,0,0,1|1,0,1]=4 498 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C CNP0202223.0 [0,1,0,0,0,1|1,0,0]=3 500 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]=4 501 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]=4 502 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,1,0,0,0,1|2,0,0]=4 504 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]=4 505 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]=4 506 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,1,0,0,0,1|0,0,1]=3 509 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,1,0,0,0,1|1,0,1]=4 510 B12R1.49 CSC(=S)NC1=CC=C(C=C1)C CNP0048196.0 [0,1,0,0,0,1|1,0,1]=4 511 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Cl CNP0568459.0 [0,1,0,0,0,1|1,0,0]=3 515 B12R1.106 C[N+](C)(C)CC1=CC=C(C=C1)O CNP0553852.0 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.106 C[Si](C)(C)OC1=CC=C(C=C1)O CNP0085697.0 [0,1,0,0,0,1|1,1,0]=4 517 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,0,1|1,0,1]=4 518 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,1,0,0,0,1|1,0,1]=4 519 B12R1.233 CC1=CN=C(C(=N1)C)CC(C)C CNP0086327.0 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.892 CC(C)C1=CC=C(C(=O)C=C1)O CNP0218976.0 [0,1,0,0,0,1|1,0,0]=3 521 B12R1.1021 CC(C)C1=CC(=O)C(=CC=C1)O CNP0146660.0 [0,1,0,0,0,1|1,0,0]=3 522 B12R1.1021 CC(C)C1=CC=CC(=O)C(=C1)O CNP0584336.0 [0,1,0,0,0,1|1,0,0]=3 523 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O CNP0374991.0 [0,2,0,0,0,0|0,0,1]=3 537 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN CNP0350013.0 [0,2,0,0,0,0|0,0,0]=2 538 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [0,2,0,0,0,0|0,0,0]=2 539 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O CNP0574788.0 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [0,2,0,0,0,0|0,0,1]=3 542 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.113 CC(C)C1=CC=C(C=C1)C=NO CNP0403827.0 [0,2,0,0,0,0|0,0,1]=3 544 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.113 CN(C)C1=CC=C(C=C1)C=NO CNP0050062.0 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.256 BrC(Br)C1=CC=C(C=C1)C(Br)Br CNP0284083.0 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.256 C=C(C)C1=CN=C(C=N1)C(C)C CNP0352771.0 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C CNP0294593.0 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,2,0,0,0,0|0,0,1]=3 555 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,2,0,0,0,0|0,0,1]=3 556 B12R1.256 CC(C)C1=CN=C(C=N1)C(C)C CNP0352769.0 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] CNP0498455.0 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.256 C[S+](C)C1=CC=C(C=C1)[S+](C)C CNP0042891.0 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.256 C[S](C)C1=CC=C(C=C1)[S](C)C CNP0551592.0 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.256 ClC(Cl)C1=CC=C(C=C1)C(Cl)Cl CNP0042469.0 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.452 C[C@@H](O)C1=COC(=CC1=O)CO CNP0212626.1 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.9 CC1=CC=C(C=C1)C(C)(C)OO CNP0272709.0 [0,2,0,0,0,0|0,0,0]=2 567 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CI CNP0027426.0 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.9 CC[C@@](C)(O)C1=CC=C(C=C1)C CNP0114687.2 [0,2,0,0,0,0|0,0,0]=2 570 B12R1.9 CC[C@](C)(O)C1=CC=C(C=C1)C CNP0114687.1 [0,2,0,0,0,0|0,0,0]=2 571 B12R1.9 COC(C)(C)C1=CC=C(C=C1)C CNP0279513.0 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.23 CC(C)(C)C1=CC=C(C(=C1)O)O CNP0201724.0 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.23 CC1=CC(=CC=C1O)C(C)(C)C CNP0379795.0 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.23 CC1=CC(=CC=C1S)C(C)(C)C CNP0480587.0 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)O CNP0181250.0 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)C CNP0173144.0 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,2,0,0,0,0|0,0,2]=4 579 B12R1.56 CC1=CC=C(C=C1CO)C(C)C CNP0524285.0 [0,2,0,0,0,0|0,0,0]=2 580 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,2,0,0,0,0|0,0,0]=2 587 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C CNP0158912.0 [0,2,0,0,0,0|0,0,0]=2 588 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.367 CC=C(C)C1=CC=C(C(=O)O1)C CNP0209736.0 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.367 CC[C@@H](C)C1=CC=C(C(=O)O1)C CNP0431455.1 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.367 CC[C@H](C)C1=CC(=C(C=N1)C)C CNP0297045.1 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.1005 CC1=C(C=C(C=C1O)C(C)C)O CNP0424233.0 [0,2,0,0,0,0|0,0,0]=2 599 B12R1.1005 CC1=C(C=C(OC1=O)C(C)C)O CNP0131967.0 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.16 CCO[C@H](C)C1=CN=C(C=N1)C CNP0206769.1 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|0,0,2]=4 609 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|0,0,0]=2 611 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,2,0,0,0,0|0,0,2]=4 613 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.911 CC1=C[C@@H]([C@](C=C1)(O)C(C)C)O CNP0005327.1 [0,2,0,0,0,0|0,0,2]=4 616 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.1000 CC1=CC(=C(C(=C1)C)C(C)O)C CNP0230604.0 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [0,0,1,1,0,0|0,0,2]=4 619 B10R1.301 CC1=C(C(CC=C1)(C)C)C CNP0583800.0 [0,0,1,1,0,0|0,0,2]=4 620 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [0,0,1,1,0,0|1,0,0]=3 621 B10R1.301 CC1=CC=CC([C@@H]1C)(C)C CNP0290404.1 [0,0,1,1,0,0|0,0,2]=4 622 B10R1.302 CC1=CC=CC(C=C1)(C)C CNP0418898.0 [0,0,1,1,0,0|0,0,0]=2 623 B10R1.352 C=C(C)/C=C/[C@H]1CC1(C)C CNP0108510.2 [0,0,1,1,0,0|0,0,2]=4 624 B10R1.352 C=C(C)/C=C\[C@H]1CC1(C)C CNP0108510.1 [0,0,1,1,0,0|0,0,2]=4 625 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,0]=3 626 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,0]=3 627 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,0]=2 628 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,0]=2 629 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 630 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 631 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 632 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 633 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,1]=4 634 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,0]=3 635 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,0]=3 636 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,0,0,1,0,1|2,0,0]=4 637 B12R2.606 CC1=CN=C2CC(CC2=N1)C CNP0214911.0 [0,0,0,1,0,1|2,0,0]=4 638 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,1,0,1,0,0|1,0,0]=3 640 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.290 CC1=CC=C(C=C1)C2(NN2)O CNP0347507.0 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|0,0,0]=2 645 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.612 CC1=CN=C2C(=N1)CC[C@H]2C CNP0338936.1 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.3028 CC1=CC(=C2C(=C1)C[C@@H]2Cl)C CNP0059933.2 [0,1,0,1,0,0|1,0,0]=3 650 B12R2.3028 CC1=CC(=C2C(=C1)C[C@H]2Cl)C CNP0059933.1 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,1,0,1,0,0|1,0,1]=4 652 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,0,1,0,1,0|1,0,1]=4 653 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [1,0,0,0,1,0|2,0,0]=4 654 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [1,0,0,0,1,0|2,0,0]=4 655 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,0,0,0,1,0|1,0,0]=3 656 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,0,0,0,1,0|1,0,0]=3 657 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [1,0,0,0,1,0|2,0,0]=4 658 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [1,0,0,0,1,0|2,0,0]=4 659 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [1,0,0,0,1,0|2,0,0]=4 660 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [1,0,0,0,1,0|2,0,0]=4 661 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,0,0,0,1,0|2,0,0]=4 662 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,0,0,0,1,0|2,0,0]=4 663 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [1,0,0,0,1,0|2,0,0]=4 664 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [1,0,0,0,1,0|2,0,0]=4 665 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,0,0,0,1,0|2,0,0]=4 666 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,0,0,0,1,0|2,0,0]=4 667 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|0,0,1]=3 668 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,0,0,0,1,0|1,0,0]=3 669 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [1,0,0,0,1,0|1,0,0]=3 670 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,0,0,0,1,0|2,0,0]=4 673 B10R0.55 C=CC(=CCCC=C(C)C)C CNP0181853.0 [0,0,1,0,0,1|0,0,2]=4 674 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,1|0,0,2]=4 675 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,1|0,0,1]=3 676 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,1|0,0,1]=3 677 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,1|1,0,1]=4 678 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,1|1,0,1]=4 679 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,1|1,0,1]=4 680 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,1|1,0,1]=4 681 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,0,1|0,0,0]=2 682 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,0,0,0,0,1|1,0,0]=3 683 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,0,0,0,0,1|1,0,0]=3 684 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [1,0,0,0,0,1|2,0,0]=4 685 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,0,0,0,0,1|0,0,0]=2 686 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [1,0,0,0,0,1|2,0,0]=4 687 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,0,1|1,0,0]=3 688 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,0,1|1,0,0]=3 689 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,0,1|1,0,0]=3 690 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,0,1|2,0,0]=4 691 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,0,1|2,0,0]=4 692 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,0,0,0,0,2|1,0,1]=4 693 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,0,0,0,0,2|1,0,1]=4 694 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,0,0,0,0,2|1,0,0]=3 695 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,0,0,0,0,2|2,0,0]=4 696 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,0,0,0,0,2|2,0,0]=4 697 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,0,0,0,0,2|2,0,0]=4