0 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,0,0,0,0,0|2,1,1]=4 20 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,0,0,0,0,0|0,0,0]=0 24 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|0,0,2]=3 27 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|0,0,0]=1 31 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|1,1,1]=4 46 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|1,1,1]=4 47 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|2,1,0]=4 48 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|1,1,0]=3 50 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|0,0,0]=1 54 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,1,0,0,0,0|1,0,2]=4 58 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,1,0,0,0,0|2,1,0]=4 63 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,1,0,0,0,0|1,0,2]=4 65 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,1,0,0,0,0|2,1,0]=4 72 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,1,0,0,0,0|1,1,1]=4 73 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,1,0,0,0,0|2,1,0]=4 81 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|2,1,0]=4 92 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|2,1,0]=4 93 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,1,0,0,0,0|2,1,0]=4 104 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,1,0,0,0,0|2,1,0]=4 111 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,1,0,0,0,0|2,1,0]=4 113 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,1,0,0,0,0|2,1,0]=4 114 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,1,0,0,0,0|1,1,1]=4 122 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,1,0,0,0|3,0,0]=4 123 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|2,1,0]=4 124 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|2,1,0]=4 125 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,0|2,0,0]=3 126 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,0,0,1,0,0|2,0,1]=4 127 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,0,0,1,0,0|1,0,1]=3 128 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,0|3,0,0]=4 129 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,0,0,1,0,0|3,0,0]=4 130 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,0|2,1,0]=4 131 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,0,0,1,0,0|3,0,0]=4 132 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,0,0,1,0,0|3,0,0]=4 133 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,0|2,0,0]=3 134 B10R2.7 C1=CN=C2NC=NC2=N1 CNP0404111.0 [0,0,0,1,0,0|2,0,1]=4 135 B10R2.7 C1=CN=C2NN=CC2=N1 CNP0367897.0 [0,0,0,1,0,0|2,0,1]=4 136 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|3,0,0]=4 137 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|3,0,0]=4 138 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|3,0,0]=4 139 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|3,0,0]=4 140 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|3,0,0]=4 141 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|3,0,0]=4 142 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|2,1,0]=4 143 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|2,1,0]=4 144 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,0,0,0,1,0|2,0,1]=4 145 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,0,1,0|2,0,0]=3 146 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,0,1,0|2,0,0]=3 147 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,0,1,0|3,0,0]=4 148 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,0,0,0,1,0|3,0,0]=4 149 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,0,0,0,1,0|3,0,0]=4 150 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,0,1,0|3,0,0]=4 151 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,0,1,0|3,0,0]=4 152 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,0,0,0,1,0|2,0,1]=4 153 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,0,0,0,1,0|2,0,0]=3 154 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,0,0,0,1,0|1,0,1]=3 155 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,0,0,0,1,0|1,0,1]=3 156 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [0,0,0,0,1,0|2,0,0]=3 157 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,0,0,0,1,0|1,1,1]=4 158 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,0,0,0,1,0|0,1,2]=4 159 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,0,0,0,1,0|0,1,2]=4 160 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,0,1,0|1,1,0]=3 161 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,0,0,0,1,0|0,1,1]=3 162 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,0,0,0,1,0|1,1,0]=3 163 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,0,0,0,1,0|0,1,1]=3 164 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,0,0,0,1,0|2,1,0]=4 165 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,0,0,0,1,0|1,1,0]=3 166 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.12 C=NC(=COC)CC CNP0213287.0 [1,0,1,0,0,0|1,0,1]=4 171 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 173 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 174 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|0,0,0]=2 177 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|0,1,1]=4 180 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,1,0]=4 181 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,1,0]=4 182 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,1,0,0,0,0|0,0,2]=4 185 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|0,1,0]=3 186 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|0,0,0]=2 193 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|1,1,0]=4 196 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [1,1,0,0,0,0|0,0,2]=4 197 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|0,0,0]=2 204 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,1,0,0,0,0|0,0,1]=3 207 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,1,0,0,0,0|0,0,1]=3 210 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,1,0,0,0,0|0,0,0]=2 214 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,1,0,0,0,0|1,0,1]=4 220 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,1,0,0,0,0|0,1,1]=4 221 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,1,0,0,0,0|0,1,1]=4 222 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,1,0,0,0,0|0,0,2]=4 223 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|1,1,0]=4 224 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|0,0,0]=2 232 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,0,1,0|2,0,0]=4 239 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,0,1,0|2,0,0]=4 240 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,0,1,0|2,0,0]=4 241 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,0,1,0|2,0,0]=4 242 B9R1.7 CN1C=NC(=C1)CCN CNP0415799.0 [0,1,0,0,1,0|1,0,1]=4 243 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [0,1,0,0,1,0|1,0,1]=4 244 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [0,1,0,0,1,0|1,0,1]=4 245 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,1,0,0,1,0|2,0,0]=4 246 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,1,0,0,1,0|1,1,0]=4 247 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,1,0,0,1,0|2,0,0]=4 249 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,1,0,0,1,0|2,0,0]=4 250 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,1,0,0,1,0|2,0,0]=4 251 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,1,0,0,1,0|2,0,0]=4 252 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,1,0,0,1,0|2,0,0]=4 253 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [0,1,0,0,1,0|1,0,1]=4 254 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,1,0,0,1,0|2,0,0]=4 255 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,1,0,0,1,0|2,0,0]=4 256 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,1,0,0,1,0|2,0,0]=4 257 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,1,0,0,1,0|1,1,0]=4 258 B9R1.33 CC1=C(SC=N1)CCCl CNP0572414.0 [0,1,0,0,1,0|2,0,0]=4 259 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,1,0,0,1,0|1,1,0]=4 260 B9R1.33 CN1C=NC=C1CCN CNP0407447.0 [0,1,0,0,1,0|1,0,1]=4 261 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.81 C=CCC1=NC=C(N=C1C)C CNP0134147.0 [0,2,0,0,0,0|1,0,1]=4 263 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.192 C=CCC1=CN=C(C(=N1)C)C CNP0077645.0 [0,2,0,0,0,0|1,0,1]=4 265 B11R1.192 CCCC1=CN=C(C(=N1)C)C CNP0023321.0 [0,2,0,0,0,0|1,0,0]=3 266 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.182 C=CCC1=NC(=CN=C1C)C CNP0014529.0 [0,2,0,0,0,0|1,0,1]=4 269 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.24 OCCSC1=CN=CC(=N1)Cl CNP0423336.0 [0,2,0,0,0,0|0,1,0]=3 271 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,2,0,0,0,0|1,1,0]=4 272 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,2,0,0,0,0|1,0,0]=3 273 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,2,0,0,0,0|1,0,0]=3 277 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,2,0,0,0,0|1,0,0]=3 278 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|2,0,0]=4 279 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [1,0,0,1,0,0|2,0,0]=4 280 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,1,0|2,0,0]=4 281 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|2,0,0]=4 282 B11R2.36 CC1=CN=C2CCCC2=N1 CNP0296530.0 [0,1,0,1,0,0|1,0,0]=3 283 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,1,0,1,0,0|2,0,0]=4 284 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,1,0,1,0,0|1,0,0]=3 285 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,1,0,1,0,0|1,0,1]=4 286 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,1,0,1,0,0|1,0,0]=3 287 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,0]=3 289 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,0]=3 290 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,0]=3 291 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,0]=3 292 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|1,0,0]=3 293 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|2,0,0]=4 294 B7R1.1 CCN1C=NN=C1 CNP0611862.0 [1,0,0,0,1,0|2,0,0]=4 295 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|1,0,1]=4 296 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 297 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|1,0,1]=4 298 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 299 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|1,1,0]=4 300 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|1,1,0]=4 301 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|1,1,0]=4 302 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|1,1,0]=4 303 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,1,0|1,0,0]=3 304 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,1,0|1,0,0]=3