0 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,0|1,1,0]=2 11 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.18 N=C(N)NC1=CC=CN=C1 CNP0217944.0 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,0,0|2,1,0]=3 24 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,0,0|3,1,0]=4 28 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,0,0|2,1,0]=3 29 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|0,0,1]=2 36 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|0,1,1]=3 37 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|0,0,1]=2 46 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|1,1,0]=3 51 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|2,1,0]=4 52 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|1,1,1]=4 54 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|0,0,0]=1 61 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|1,1,1]=4 66 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|1,1,1]=4 67 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,1,0,0,0,0|2,1,0]=4 87 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,0|1,1,0]=3 137 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.157 CC(=O)OC1=CC(=O)CCC1 CNP0126229.0 [0,1,0,0,0,0|0,0,3]=4 175 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,0,0|0,0,0]=1 176 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.509 C[Si](C)(C)NC1=CC=CC=C1 CNP0589865.0 [0,1,0,0,0,0|2,1,0]=4 185 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,1,0,0,0,0|2,0,0]=3 188 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,1,0,0,0|2,0,1]=4 189 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,1,0,0,0|1,0,2]=4 190 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|2,0,1]=4 192 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,0,0|2,0,0]=3 194 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,0,0|1,0,0]=2 195 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,0,0|1,1,0]=3 196 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,0,0|1,0,0]=2 197 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,1,0,0|1,1,0]=3 198 B11R2.10 CC1=NC2=CC=NN=C2O1 CNP0278179.0 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.10 CC1=NC2=CN=CN=C2O1 CNP0180716.0 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.10 CC1=NC2=CN=NC=C2O1 CNP0001198.0 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.10 CC1=NC2=NC=NC=C2O1 CNP0001304.0 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.10 CC1=NC2=NN=CC=C2O1 CNP0125142.0 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,1,0,0|2,0,1]=4 205 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.10 N=C1N=C2C=CC=CN2O1 CNP0411538.0 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.10 N=C1N=C2C=CNC=C2O1 CNP0061872.0 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.10 N=C1NC2=CC=CC=C2N1 CNP0097810.0 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.10 NC1=NC2=CC=CC=C2N1 CNP0568172.0 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.10 NC1=NC2=CC=CC=C2S1 CNP0256238.0 [0,0,0,1,0,0|2,1,0]=4 212 B11R2.10 NC1=NC2=CC=CN=C2O1 CNP0001317.0 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.10 NC1=NC2=CC=NC=C2O1 CNP0001315.0 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.10 NC1=NC2=CN=CC=C2O1 CNP0001331.0 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.10 NC1=NC2=NC=CC=C2O1 CNP0095068.0 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,1,0,0|1,0,1]=3 217 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,1,0,0|0,0,2]=3 219 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,0|1,0,0]=2 220 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,0|0,0,0]=1 221 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,0,0|1,0,0]=2 222 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,1,0,0|1,1,0]=3 223 B11R2.10 O=C1NC2=CC=CN=C2N1 CNP0001340.0 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.10 O=C1NC2=CC=NC=C2N1 CNP0001335.0 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.10 O=C1NC2C=CC=CC2O1 CNP0086322.0 [0,0,0,1,0,0|1,0,2]=4 226 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,0,0|1,0,1]=3 227 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,0,0|1,0,1]=3 228 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,1,0,0|1,1,1]=4 229 B11R2.10 S=C1N=C2C=CC=CC2=N1 CNP0444461.0 [0,0,0,1,0,0|2,1,0]=4 230 B11R2.10 S=C1NC2=CC=CC=C2S1 CNP0144165.0 [0,0,0,1,0,0|1,2,0]=4 231 B11R2.10 SC1=NC2=CC=CC=C2N1 CNP0475824.0 [0,0,0,1,0,0|2,1,0]=4 232 B11R2.10 SC1=NC2=CC=CC=C2S1 CNP0527049.0 [0,0,0,1,0,0|1,2,0]=4 233 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,0,0|1,0,2]=4 235 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,0,0|1,0,2]=4 236 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,1,0|1,0,0]=2 237 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,0,0,1,0|2,0,0]=3 238 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,0,0,1,0|3,0,0]=4 239 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,1,0|0,0,0]=1 240 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,1,0|1,0,0]=2 241 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,1,0|1,0,0]=2 242 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,1,0|1,0,0]=2 243 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,1,0|1,0,1]=3 245 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,1,0|2,0,1]=4 246 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,1,0|1,0,1]=3 249 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,1,0|0,0,2]=3 250 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,1,0|1,0,1]=3 251 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,1,0|0,0,2]=3 252 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,1,0|1,0,1]=3 253 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,1,0|2,0,0]=3 254 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,0,0,0,1,0|2,1,0]=4 255 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,1,0|1,0,0]=2 256 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,1,0|2,0,0]=3 257 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,1,0|2,0,0]=3 258 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,0,0,0,1,0|2,1,0]=4 261 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,1,0|2,0,0]=3 263 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,1,0|2,0,0]=3 264 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,1,0|1,0,0]=2 265 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,1,0|2,0,0]=3 267 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,1,0|1,0,0]=2 270 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,1,0|1,0,0]=2 271 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,1,0|1,0,0]=2 272 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,1,0|1,0,0]=2 273 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,1,0|2,0,0]=3 274 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,1,0|2,0,0]=3 276 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,1,0|2,0,0]=3 278 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,1,0|2,0,1]=4 281 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,1,0|2,0,0]=3 282 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,1,0|1,0,0]=2 285 B9R1.13 CC(=O)OC1=CNN=C1 CNP0168778.0 [0,0,0,0,1,0|2,0,0]=3 286 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,1,0|3,0,0]=4 287 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,1,0|3,0,0]=4 288 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,1|2,0,0]=3 289 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,1|1,0,0]=2 290 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,1|1,0,0]=2 291 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,1|0,0,0]=1 292 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,1|0,0,0]=1 293 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,1|2,0,1]=4 294 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,1|1,0,2]=4 295 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,0,0,0,1|3,0,0]=4 296 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,1|3,0,0]=4 297 B11R1.91 CN(C)N=NC1=CC=CC=C1 CNP0594797.0 [0,0,0,0,0,1|3,0,0]=4 298 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,1|1,0,2]=4 299 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,1|2,0,0]=3 300 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,1|2,0,0]=3 301 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,1|1,0,0]=2 302 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,1|2,0,0]=3 303 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,0,1|2,0,0]=3 304 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,0,1|2,1,0]=4 305 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,1|2,0,0]=3 306 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,1|2,0,0]=3 307 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,1|2,0,0]=3 309 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,1|3,0,0]=4 310 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,1|2,0,0]=3 311 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,1|2,0,0]=3 312 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,1|1,0,0]=2 313 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,1|2,0,0]=3 314 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,1|3,0,0]=4 315 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|1,0,1]=4 316 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,1,0,0,0|0,0,2]=4 317 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 318 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|0,0,2]=4 319 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|0,0,2]=4 320 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 321 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,1]=3 322 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,1]=4 323 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,1]=3 325 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 326 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 327 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,1]=4 328 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,0]=2 330 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,0]=3 332 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,1]=3 333 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,0]=3 335 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 336 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 337 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 341 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 343 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,2]=4 347 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 348 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 349 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,2]=4 350 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,2]=4 351 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|1,0,0]=3 352 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|1,0,1]=4 353 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|0,0,1]=3 370 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,1,0,0,0,0|0,1,1]=4 388 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,1,0,0,0,0|0,1,1]=4 389 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,1,0,0,0,0|0,0,1]=3 408 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|0,0,1]=3 412 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|0,1,1]=4 413 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|0,1,1]=4 417 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|1,1,0]=4 419 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,1,0,0,0,0|1,1,0]=4 437 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,1,0|0,0,0]=2 440 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,1,0|0,0,0]=2 441 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,1,0|0,0,0]=2 442 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,1,0|0,0,0]=2 443 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,1,0|0,0,0]=2 444 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,1,0|1,0,0]=3 445 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,1,0|0,0,2]=4 446 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,1,0|1,0,0]=3 447 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,1,0|1,0,1]=4 449 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,1,0|1,0,1]=4 450 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,1,0|1,0,1]=4 451 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,1,0|1,0,1]=4 456 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,1,0|0,0,2]=4 457 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,1,0|0,0,2]=4 458 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,1,0|0,0,2]=4 460 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,1,0|0,0,2]=4 461 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,1,0|2,0,0]=4 463 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,1,0|1,0,0]=3 464 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,1,0|1,0,0]=3 468 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,1,0|1,0,0]=3 469 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,1,0|1,0,0]=3 471 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,1,0|1,0,0]=3 472 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,1,0|1,0,0]=3 473 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,1,0|1,0,0]=3 474 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,1,0,0,1,0|0,0,2]=4 483 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,1,0,0,1,0|1,0,1]=4 484 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,1,0|0,0,0]=2 488 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,1,0|0,0,0]=2 489 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,1,0|0,0,0]=2 490 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,1,0|1,0,0]=3 491 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,1,0|1,0,0]=3 492 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,1,0|1,0,0]=3 493 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,1,0,0,1,0|0,1,1]=4 496 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,1,0|1,0,0]=3 497 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,1,0|1,0,0]=3 498 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,1,0|1,0,1]=4 499 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,1,0,0,1,0|2,0,0]=4 501 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,1,0|1,0,0]=3 505 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,1,0|1,0,0]=3 506 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,1,0|1,0,0]=3 507 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,1,0|1,0,0]=3 510 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,1,0|1,0,0]=3 514 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,1,0|1,0,0]=3 515 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,1,0|1,0,0]=3 516 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,1,0,0,1,0|2,0,0]=4 518 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,1,0,0,1,0|2,0,0]=4 519 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,1,0,0,1,0|2,0,0]=4 522 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,1,0|1,0,0]=3 526 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,1,0|1,0,0]=3 529 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,1,0|1,0,0]=3 531 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,1,0|0,0,0]=2 532 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,1,0|0,0,0]=2 533 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,1,0|1,0,0]=3 534 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,1,0,0,1,0|0,0,2]=4 539 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,1,0|1,0,0]=3 543 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,1,0,0,1,0|1,0,1]=4 544 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,1,0,0,1,0|0,0,2]=4 548 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,1,0,0,1,0|2,0,0]=4 553 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,1,0,0,1,0|2,0,0]=4 554 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,1,0|1,0,0]=3 555 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,1,0|1,0,0]=3 557 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,1,0,0,1,0|2,0,0]=4 560 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,1,0,0,1,0|2,0,0]=4 571 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,1,0|2,0,0]=4 576 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,0,0,0,1|1,0,0]=3 577 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,1|1,0,0]=3 578 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,1|1,0,0]=3 579 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,1|1,0,0]=3 580 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,1|0,0,0]=2 581 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,1,0,0,0,1|1,0,0]=3 588 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,1,0,0,0,1|1,0,0]=3 595 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,1,0,0,0,1|1,0,0]=3 597 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,0,0,0,1|1,0,1]=4 598 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,1|1,0,1]=4 599 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,1,0,0,0,1|1,0,1]=4 600 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,1|0,0,0]=2 603 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,0,0,0,1|1,0,0]=3 605 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,1|1,0,0]=3 607 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,1,0,0,0,1|1,1,0]=4 608 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,1|0,0,0]=2 609 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,1,0,0,0,1|1,0,0]=3 610 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,1,0,0,0,1|1,0,0]=3 612 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,1,0,0,0,1|1,0,1]=4 613 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,1|1,0,0]=3 615 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,1|1,0,0]=3 616 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,1|1,0,0]=3 617 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,1|1,0,0]=3 618 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,1|1,0,1]=4 619 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,1|1,0,0]=3 621 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,1|1,0,0]=3 624 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,1|1,0,0]=3 630 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,1|1,0,0]=3 638 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,1,0,0,0,1|1,0,0]=3 642 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,1|0,0,0]=2 643 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,1,0,0,0,1|1,0,1]=4 644 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,0,0,0,1|1,0,0]=3 650 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,1|1,0,0]=3 651 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,1|0,0,0]=2 655 B12R1.125 CC(C)COC1=CC=CC=C1N CNP0436425.0 [0,1,0,0,0,1|1,0,1]=4 656 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,1|0,0,0]=2 665 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,0,0,0,1|2,0,0]=4 667 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.210 CC(=O)OC1=CC=CC=CC1=O CNP0251937.0 [0,1,0,0,0,1|0,0,0]=2 673 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N CNP0139066.0 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,2,0,0,0,0|0,0,0]=2 681 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.19 C=C(C)C=C1C=CC(=O)C(=C1)C CNP0342367.0 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0068960.0 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.19 CC(=O)OC1=CC=C(C(=C1)Cl)Cl CNP0018261.0 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.19 NC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0299483.0 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.49 CSC(=NC1=CC=C(C=C1)N)S CNP0056621.0 [0,2,0,0,0,0|1,1,0]=4 721 B12R1.49 CSC(=S)NC1=CC=C(C=C1)Br CNP0058991.0 [0,2,0,0,0,0|1,1,0]=4 722 B12R1.49 CSC(=S)NC1=CC=C(C=C1)C CNP0048196.0 [0,2,0,0,0,0|1,1,0]=4 723 B12R1.49 CSC(=S)NC1=CC=C(C=C1)Cl CNP0031684.0 [0,2,0,0,0,0|1,1,0]=4 724 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)O CNP0393410.0 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)O CNP0432866.0 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.106 C[Si](C)(C)OC1=CC=C(C=C1)O CNP0085697.0 [0,2,0,0,0,0|1,1,0]=4 728 B12R1.106 O=S(=O)(O)OC1=CC=C(C=C1)O CNP0330182.0 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.233 CC(=O)C[N+]1=CC=C(C=C1N)C CNP0582914.0 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.349 CC(=O)CC1(C=CC(=O)C=C1)O CNP0198879.0 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.34 CNC(=S)N(O)C1=CC=CC=C1 CNP0157171.0 [0,2,0,0,0,0|1,1,0]=4 743 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.124 CC1=CC=CC=C1[C@@H](O)C(=O)O CNP0017568.1 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CNP0082491.0 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.2 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.1 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)N CNP0584804.0 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)O CNP0140626.0 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.225 CC1=CC=CC(=C1)[C@@H](N)C(=O)O CNP0581273.1 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.225 CC1=CC=CC(=C1)[C@H](N)C(=O)O CNP0581273.2 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.1 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.2 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)O CNP0183373.1 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.225 O=C(O)[C@@H](O)C1=CC=CC(=C1)O CNP0133718.2 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(=C1)O CNP0133718.1 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CNP0476981.0 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 CNP0021992.1 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 CNP0272279.1 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.478 CC(=O)C(=CN)C1=CC=CC=C1 CNP0043428.0 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.478 CC(=O)[C@@H](C#N)C1=CC=CC=C1 CNP0076616.1 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.478 NC(=O)[C@@H](CO)C1=CC=CC=C1 CNP0503539.1 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 CNP0185259.1 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 CNP0185259.2 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,2,0,0,0,0|1,1,0]=4 790 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.194 C=CS(=O)(=O)OC1=CC=CC=C1 CNP0488301.0 [0,2,0,0,0,0|1,0,1]=4 794 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.371 CSC(=S)NC1=CC=CC=C1C CNP0055826.0 [0,2,0,0,0,0|1,1,0]=4 799 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.75 CC(=O)NC1=CC=CC=C1C=O CNP0272351.0 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.75 CC(=O)OC1=CC=CC=C1C=O CNP0308567.0 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.75 CCC1=CC=CC=C1NC(=O)C CNP0050892.0 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,2,0,0,0,0|0,0,0]=2 807 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.127 CC(=O)C[N+]1=CC(=CC=C1N)C CNP0498954.0 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.127 CC(=O)C[N+]1=CC(=CC=C1N)Cl CNP0537038.0 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)Cl CNP0051150.0 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.127 O=C1C=CC(=O)C(=C1)CC(=O)O CNP0040825.0 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.151 CC1=CC=CC=C1OS(=O)(=O)O CNP0230821.0 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.151 NC1=CC=CC=C1OS(=O)(=O)O CNP0561476.0 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.151 O=S(=O)(O)OC1=CC=CC=C1O CNP0280584.0 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.224 CC(=O)C[N+]1=CC=CC(=C1N)C CNP0547254.0 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.224 CC(=O)NC1=CC=CC(=C1C)C CNP0173088.0 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Cl CNP0343401.0 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.224 CC(=O)NC1=CC=CC(=C1Cl)Cl CNP0054556.0 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)C CNP0022970.0 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.1009 CC(=O)OC1=C(C=CC=C1Br)Br CNP0233886.0 [0,2,0,0,0,0|0,0,0]=2 827 B12R1.1009 CC(=O)OC1=C(C=CC=C1Cl)Cl CNP0302770.0 [0,2,0,0,0,0|0,0,0]=2 828 B12R1.1009 O=C(O)CC1=C(C=CC=C1O)O CNP0135400.0 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.101 CC(=O)CC1=CC(=CC(=C1)O)O CNP0215843.0 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.101 CC(=O)CC1=CC(=CC(=O)O1)O CNP0149763.0 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C CNP0595654.0 [0,2,0,0,0,0|0,0,0]=2 832 B12R1.101 CC(=O)OC1=CC(=CC(=C1)Cl)Cl CNP0017774.0 [0,2,0,0,0,0|0,0,0]=2 833 B12R1.101 CC(=O)OC1=CC(=CC(=C1)O)C CNP0121903.0 [0,2,0,0,0,0|0,0,0]=2 834 B12R1.101 CC(=O)OC1=CC(=O)OC(=C1)C CNP0194677.0 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.101 CC1=CC(=CC(=C1)CC(=O)Cl)C CNP0064562.0 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.101 CC1=CC(=CC(=C1)OC(C)C)O CNP0583120.0 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.101 O=C(O)CC1=CC(=CC(=C1)O)O CNP0371328.0 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.39 CC(=O)N1C=CC=C1C=O CNP0167841.0 [0,0,1,1,0,0|2,0,0]=4 841 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,1,1,0,0|2,0,0]=4 842 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,1,1,0,0|1,0,1]=4 843 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|2,0,0]=4 844 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|2,0,0]=4 845 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|1,0,1]=4 846 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,0]=3 847 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,1]=4 848 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|2,0,0]=4 849 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,1]=4 850 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|2,0,0]=4 851 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,1]=4 852 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|2,0,0]=4 853 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,1]=4 854 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,1]=3 855 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,0]=3 856 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|0,0,1]=3 857 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|0,0,2]=4 858 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|0,1,1]=4 859 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,1,0,0|1,1,0]=4 860 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,0]=3 861 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,1]=4 862 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,1]=4 863 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 864 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,1,0,1|2,0,0]=4 865 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,1,0,1|2,0,0]=4 866 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,1,0,1|2,0,0]=4 867 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,1,0,1|2,0,0]=4 868 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,1,0,1|2,0,0]=4 869 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,1|1,0,0]=3 870 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,1|2,0,0]=4 871 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,1|2,0,0]=4 872 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,1|0,0,0]=2 873 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|1,0,0]=3 874 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|2,0,0]=4 875 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|2,0,0]=4 876 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,1|1,0,0]=3 877 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,1|1,0,0]=3 878 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,1|2,0,0]=4 879 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,1,0,1|2,0,0]=4 880 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,0,0,1,0,1|0,0,2]=4 881 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,1|2,0,0]=4 882 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,1|2,0,0]=4 883 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,1,0,1,0,0|1,0,1]=4 884 B12R2.606 N=C1NC2=CC(=CC=C2O1)Cl CNP0335896.0 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.606 NC1=NC2=CC(=CC=C2O1)Cl CNP0499273.0 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,1,0,1,0,0|1,0,0]=3 887 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,1,0,1,0,0|1,0,0]=3 889 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,1,0,1,0,0|0,0,0]=2 890 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,1,0,1,0,0|1,0,0]=3 891 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,1,0,1,0,0|1,0,0]=3 892 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,1,0,1,0,0|0,0,0]=2 893 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,1,0,1,0,0|1,0,0]=3 894 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,1,0,1,0,0|1,0,0]=3 895 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,1,0,1,0,0|1,1,0]=4 896 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,1,0,1,0,0|1,0,0]=3 897 B12R2.606 OC1=NC2=CC(=CC=C2O1)Cl CNP0199487.0 [0,1,0,1,0,0|1,0,1]=4 898 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,1,0,0|1,0,1]=4 899 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,1,0,0|1,0,0]=3 901 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,1,0,1,0,0|1,0,0]=3 902 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,1,0,0|1,0,1]=4 903 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,1,0,0|1,0,1]=4 904 B12R2.18 CC1=[N+](C2=CC=CC=C2S1)[O-] CNP0536577.0 [0,1,0,1,0,0|0,1,1]=4 905 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [0,1,0,1,0,0|1,0,0]=3 906 B12R2.18 CN1C(=NC2=CC=CC=C12)N CNP0056889.0 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,1,0,1,0,0|1,0,0]=3 908 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,1,0,1,0,0|0,0,0]=2 909 B12R2.18 CN1C(=S)SC2=CC=CC=C12 CNP0018105.0 [0,1,0,1,0,0|0,2,0]=4 910 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,1,0,1,0,0|1,0,1]=4 911 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,1,0,1,0,0|1,0,0]=3 912 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|1,0,1]=4 913 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|1,0,1]=4 914 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,1,0,0|1,0,1]=4 916 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,1,0,1,0,0|1,0,0]=3 917 B12R2.18 OC1=NC2=CC=CC=C2[C@@H]1O CNP0535565.1 [0,1,0,1,0,0|1,0,1]=4 918 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,1,0,1,0,0|1,1,0]=4 920 B12R2.32 CNC1=NC2=CC=CC=C2S1 CNP0054495.0 [0,1,0,1,0,0|1,1,0]=4 921 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,1,0,1,0,0|1,1,0]=4 922 B12R2.32 CSC1=NC2=CC=CC=C2S1 CNP0071009.0 [0,1,0,1,0,0|1,1,0]=4 923 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,1,0,0|0,0,1]=3 925 B12R2.32 ON=C1CC2=CC=CC=C2C1 CNP0396553.0 [0,1,0,1,0,0|1,0,1]=4 926 B12R2.19 O=C1C[C@@]2(C=CC=C[C@@H]2O1)O CNP0559755.2 [0,1,0,1,0,0|0,0,2]=4 927 B12R2.19 O=C1C[C@]2(C=CC=C[C@H]2O1)O CNP0559755.1 [0,1,0,1,0,0|0,0,2]=4 928 B12R2.95 O=S1(=O)CC2=CC=CC=C2C1 CNP0035359.0 [0,1,0,1,0,0|2,0,0]=4 929 B12R2.202 CC1=C2OC(=O)C=C2C=CO1 CNP0534449.0 [0,1,0,1,0,0|1,0,1]=4 930 B12R2.202 CC1=CC2=C(C=CC=C2N1)C CNP0325011.0 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,1,0,1,0,0|0,0,0]=2 932 B12R2.202 O=C1NC2=C(C=CC=C2O1)O CNP0492903.0 [0,1,0,1,0,0|1,0,0]=3 933 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,0,1,0,1,0|2,0,0]=4 934 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,1,0|2,0,0]=4 935 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,0,0,0,1,0|2,0,0]=4 936 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,2,0|1,0,0]=3 937 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,2,0|1,0,0]=3 938 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,2,0|1,0,0]=3 939 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,2,0|1,0,0]=3 940 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,2,0|1,0,0]=3 941 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,2,0|2,0,0]=4 942 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,2,0|2,0,0]=4 943 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,2,0|1,0,0]=3 944 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,0,0,0,2,0|2,0,0]=4 945 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,2,0|2,0,0]=4 946 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,2,0|2,0,0]=4 947 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,0,2,0|2,0,0]=4 948 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,2,0|2,0,0]=4 949 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,2,0|2,0,0]=4 950 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,2,0|2,0,0]=4 951 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,2,0|2,0,0]=4 952 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,2,0|2,0,0]=4 953 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,2|2,0,0]=4 954 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,0,2|1,0,0]=3 955 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,2|1,0,0]=3 956 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,2|0,0,0]=2 957 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,0,2|2,0,0]=4 958 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,2|2,0,0]=4 959 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,0,0,0,0,2|2,0,0]=4 960 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,2|2,0,0]=4 961 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,2|2,0,0]=4 962 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,2|1,0,0]=3 963 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,2|1,1,0]=4