0 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,0,0,0,0,0|1,1,0]=2 2 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,0,0,0|1,1,1]=3 5 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,0,0,0|2,1,1]=4 8 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,0,0,0,0,0|1,0,1]=2 16 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,0,0,0,0,0|1,1,1]=3 17 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,0,0,0|0,0,0]=0 20 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,0,0,0|0,1,0]=1 21 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,0,0,0|0,0,2]=2 25 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,0,0,0|0,1,2]=3 26 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,0,0,0|0,1,1]=2 29 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,0,0,0|0,2,1]=3 30 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|1,0,0]=2 31 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,1]=3 32 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|1,0,1]=3 33 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|0,0,1]=2 34 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|0,1,1]=3 35 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|2,0,1]=4 36 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|1,1,1]=4 37 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|2,0,1]=4 40 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|2,0,1]=4 41 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|1,1,1]=4 43 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 N=C1NC=CN1 CNP0546499.0 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|2,1,0]=4 47 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|2,1,0]=4 51 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|0,0,1]=2 55 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|1,0,0]=2 57 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|1,0,0]=2 58 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|0,0,1]=2 59 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,0,0,0|0,0,3]=4 60 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|1,0,0]=2 63 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|0,0,1]=2 64 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|1,2,0]=4 65 B6R1.2 S=S1NC=CO1 CNP0538348.0 [1,0,0,0,0,0|2,1,0]=4 66 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|0,2,0]=3 67 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.1 C=CC1=NC(=S)CO1 CNP0300088.0 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,0,0|0,0,0]=1 72 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,0,0,0|0,0,2]=3 73 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,0,0,0|0,1,1]=3 74 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,0,0|0,1,0]=2 75 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,0,0|1,1,1]=4 79 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,0,0|1,0,2]=4 80 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,0,0,0|1,0,2]=4 84 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,0,0|2,1,0]=4 86 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,0,0,0|0,0,3]=4 91 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,1,0,0,0,0|0,0,0]=1 96 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,1,0,0,0,0|0,1,0]=2 97 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,1,0,0,0,0|0,0,2]=3 101 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,0,0,0|0,0,2]=3 106 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,0,0,0|0,1,1]=3 107 B8R1.7 N=C(N)C1=CNC=C1 CNP0175119.0 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,1,0,0,0,0|0,0,0]=1 111 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,1,0,0,0,0|0,0,0]=1 117 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,1,0,0,0,0|1,0,2]=4 127 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,1,0,0,0,0|1,0,2]=4 128 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,0,0,0|1,0,2]=4 129 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,1,0,0,0,0|1,1,0]=3 130 B8R1.7 O=[N+]([O-])C1=NC=CN1 CNP0566258.0 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,0,0,0|1,1,1]=4 136 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,0,0,0|0,0,2]=3 137 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,0,0,0|0,1,1]=3 138 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,1,0,0,0,0|1,2,0]=4 139 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,1,0,0,0,0|1,1,1]=4 140 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,1,0,0,0,0|0,0,0]=1 141 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,0,0,0|0,1,2]=4 145 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,1,0,0,0,0|0,1,1]=3 147 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,1,0,0,0,0|2,1,0]=4 148 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,0,0|0,1,0]=2 150 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.52 CC1(CC=CO1)C=O CNP0595974.0 [0,1,0,0,0,0|0,0,2]=3 153 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,0,1,0,0,0|2,0,0]=3 154 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|2,0,0]=3 155 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|1,0,2]=4 156 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,1,0,0,0|1,0,2]=4 157 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|2,0,1]=4 158 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,1,0,0,0|1,0,2]=4 159 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,1,0,0,0|1,0,2]=4 160 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|2,0,0]=3 162 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,1,0,0,0|2,0,1]=4 163 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|1,0,0]=2 164 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|1,0,1]=3 166 B6R0.6 CC=CCCC=O CNP0056069.0 [0,0,1,0,0,0|1,0,2]=4 167 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|1,0,1]=3 168 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,1,0,0,0|1,1,1]=4 169 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,1,0,0,0|1,0,2]=4 170 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,1,0,0,0|1,0,2]=4 171 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,1,0,0,0|1,0,2]=4 172 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,0,1,0,0,0|1,0,2]=4 173 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,0,0,0,0,1|2,0,1]=4 174 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,0,0,0,0,1|2,0,1]=4 175 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,0,0,0,0,1|2,0,0]=3 176 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,0,0,0,0,1|2,0,0]=3 178 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,0,0,0,0,1|2,0,0]=3 179 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,0,0,1|2,0,1]=4 181 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,0,0,1|2,0,1]=4 182 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,0,0,1|2,0,1]=4 183 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,0,0,1|2,0,1]=4 184 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,0,0,1|3,0,0]=4 187 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,0,0,0,0,1|3,0,0]=4 192 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,0,0,1|2,0,1]=4 193 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,0,0,0,0,1|2,0,1]=4 194 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,0,0,0,0,1|2,0,1]=4 195 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,0,0,0,0,1|2,0,1]=4 196 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,0,0,0,0,1|2,0,1]=4 197 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,0,0,0,0,1|2,0,1]=4 198 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,0,0,1|2,0,1]=4 199 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,0,0,1|2,0,1]=4 200 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,0,0,0,1|1,0,0]=2 203 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,0,0,0,1|1,0,0]=2 204 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,0,0,0,1|1,0,0]=2 205 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,0,0,0,1|1,0,0]=2 206 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,0,0,0,0,1|1,0,2]=4 207 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,0,0,0,0,1|1,0,2]=4 208 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,0,0,1|1,0,2]=4 211 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,0,0,1|1,0,2]=4 212 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,0,0,1|1,0,2]=4 213 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,0,0,0,0,1|1,0,2]=4 214 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,0,0,0,0,1|1,1,0]=3 215 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,0,0,1|1,1,1]=4 216 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,0,0,1|1,1,1]=4 217 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,0,0,1|1,1,1]=4 218 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,0,0,0,0,1|1,1,1]=4 219 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,0,0,1|1,0,2]=4 220 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,0,0,1|2,0,1]=4 221 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,1]=4 222 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,1]=4 223 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|1,0,1]=4 224 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,1,0,0,0|1,0,1]=4 225 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|0,0,1]=3 226 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|0,0,1]=3 227 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|1,0,1]=4 228 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,1,0,0,0|1,0,1]=4 229 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,1,0,0,0|1,0,1]=4 230 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|0,0,1]=3 231 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,1,0,0,0|0,1,1]=4 232 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,1,0,0,0|2,0,0]=4 233 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,1,0,0,0|1,0,0]=3 234 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,1,0,0,0|1,0,0]=3 235 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,1,0,0,0|1,0,0]=3 236 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,1,0,0,0|2,0,0]=4 237 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,1,0,0,0|1,0,1]=4 238 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,1,0,0,0|0,0,2]=4 239 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|1,0,0]=3 240 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|0,0,0]=2 241 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|1,0,1]=4 242 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,1]=4 243 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,1,0,0,0|1,0,1]=4 244 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,1,0,0,0|0,0,2]=4 245 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,1,0,0,0|0,0,1]=3 246 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,1,0,0,0|0,0,1]=3 247 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|1,0,1]=4 248 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 249 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,2]=4 250 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|0,0,1]=3 251 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,1,0,0,0|0,0,2]=4 252 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,1]=4 253 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|1,0,1]=4 254 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|0,0,1]=3 255 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|0,0,2]=4 256 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,1,0,0,0|1,0,0]=3 257 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,1,0,0,0|1,0,1]=4 258 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|1,0,0]=3 259 B5R1.1 C1=CCOC1 CNP0579994.0 [2,0,0,0,0,0|0,0,2]=4 260 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,0]=3 261 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|2,0,0]=4 262 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 263 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|0,0,0]=2 264 B5R1.1 C1=COCC1 CNP0540644.0 [2,0,0,0,0,0|0,0,2]=4 265 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|1,0,0]=3 266 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|0,1,0]=3 267 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|1,1,0]=4 268 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,1,1,0,0,0|0,0,2]=4 272 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,1,0,0,0|0,0,0]=2 273 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,1,0,0,0|0,0,2]=4 275 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|1,0,0]=3 281 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,1,1,0,0,0|0,0,1]=3 284 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|0,0,0]=2 285 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|1,0,0]=3 287 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|1,0,0]=3 288 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,1,0,0,0,0|0,0,0]=2 289 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,1,0,0,0,0|0,0,1]=3 290 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,1,0,0,0,0|0,1,1]=4 291 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,1,0,0,0,0|1,0,1]=4 292 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,1,0,0,0,0|1,0,1]=4 293 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,1,0,0,0,0|0,0,2]=4 294 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,1,0,0,0,0|0,0,1]=3 295 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,1,0,0,0,0|1,0,1]=4 296 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,1,0,0,0,0|0,0,1]=3 297 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,1,0,0,0,0|0,1,1]=4 298 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,1,0,0,0,0|0,0,1]=3 299 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,1,0,0,0,0|1,0,1]=4 300 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,1,0,0,0,0|0,0,1]=3 301 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,1,0,0,0,0|1,0,1]=4 302 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,1,0,0,0,0|0,1,1]=4 303 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,1,0,0,0,0|1,0,1]=4 304 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,1,0,0,0,0|0,0,1]=3 305 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,1,0,0,0,0|0,0,1]=3 306 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,1,0,0,0,0|1,0,0]=3 307 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,1,0,0,0,0|1,0,0]=3 308 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,1,0,0,0,0|0,0,0]=2 309 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [1,1,0,0,0,0|1,0,1]=4 311 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,1,0,0,0,0|0,0,2]=4 312 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,1,0,0,0,0|0,0,2]=4 314 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,1,0,0,0,0|0,0,1]=3 315 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,1,0,0,0,0|0,1,1]=4 316 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,1,0,0,0,0|0,0,1]=3 317 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,1,0,0,0,0|1,0,1]=4 318 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,1,0,0,0,0|0,1,1]=4 319 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,1,0,0,0,0|1,0,1]=4 320 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,1,0,0,0,0|0,0,1]=3 321 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,1,0,0,0,0|1,0,1]=4 322 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,1,0,0,0,0|1,0,0]=3 323 B7R1.4 O=C1CCC=C1O CNP0104225.0 [1,1,0,0,0,0|1,0,1]=4 324 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,1,0,0,0,0|0,0,1]=3 325 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,1,0,0,0,0|0,0,1]=3 326 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,1,0,0,1,0|1,0,1]=4 327 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,1,0,0,0,1|2,0,0]=4 328 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,1,0,0,0,1|1,0,0]=3 331 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,1,0,0,0,1|1,0,0]=3 334 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,1,0,0,0,1|1,0,0]=3 335 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,1,0,0,0,1|0,0,0]=2 336 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,1|1,0,0]=3 341 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,1,0,0,0,1|1,0,0]=3 349 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,1,0,0,0,1|1,0,0]=3 351 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,1,0,0,0,1|1,0,0]=3 352 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,1,0,0,0,1|1,0,0]=3 353 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,1,0,0,0,1|1,1,0]=4 355 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,1,0,0,0,1|1,0,0]=3 356 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,1,0,0,0,1|1,0,0]=3 357 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,1,0,0,0,1|1,0,0]=3 358 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,1,0,0,0,1|1,0,0]=3 359 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,1,0,0,0,1|1,1,0]=4 361 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,1,0,0,0,1|1,0,0]=3 362 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,1,0,0,0,1|1,0,0]=3 363 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,1,0,0,0,1|1,0,0]=3 364 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,1,0,0,0,1|1,0,0]=3 365 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,1,0,0,0,1|1,0,0]=3 366 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,1,0,0,0,1|1,0,0]=3 368 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,1,0,0,0,1|0,0,2]=4 370 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,1,0,0,0,1|1,0,0]=3 373 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,1,0,0,0,1|1,0,0]=3 374 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,1,0,0,0,1|1,0,0]=3 375 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [0,1,0,0,0,1|1,0,0]=3 392 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [0,1,0,0,0,1|1,0,0]=3 393 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,1,0,0,0,1|1,0,1]=4 394 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,1,0,0,0,1|0,0,0]=2 403 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,2,0,0,0,0|0,0,1]=3 406 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,2,0,0,0,0|0,0,1]=3 408 B9R1.7 ON=CC1=CC=C(O1)Br CNP0165465.0 [0,2,0,0,0,0|0,0,1]=3 409 B9R1.21 C=CC1=CC=C(N1)C=O CNP0303853.0 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,2,0,0,0,0|0,0,0]=2 411 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,2,0,0,0,0|0,0,0]=2 413 B9R1.21 N#CC1=CC=C(S1)C=O CNP0079371.0 [0,2,0,0,0,0|0,1,0]=3 414 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [0,2,0,0,0,0|0,0,0]=2 415 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,2,0,0,0,0|0,0,0]=2 417 B9R1.21 O=CC1=CC=C(S1)C=O CNP0079373.0 [0,2,0,0,0,0|0,1,0]=3 418 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,2,0,0,0,0|0,0,2]=4 419 B9R1.22 C=C1C=C(OC1C=O)O CNP0484553.0 [0,2,0,0,0,0|0,0,1]=3 420 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,2,0,0,0,0|0,0,0]=2 421 B9R1.22 O=C1C=C(C(=CBr)O1)Br CNP0402367.0 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,2,0,0,0,0|0,0,0]=2 423 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,2,0,0,0,0|0,0,0]=2 424 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,2,0,0,0,0|0,1,0]=3 425 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,2,0,0,0,0|1,1,0]=4 428 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.35 CC1=CC(=NO1)C(=O)N CNP0222722.0 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,2,0,0,0,0|0,0,0]=2 432 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,2,0,0,0,0|1,0,1]=4 433 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,2,0,0,0,0|0,0,0]=2 436 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.35 CC1=NN(C=C1)C(=O)N CNP0055854.0 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,2,0,0,0,0|0,1,0]=3 441 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,2,0,0,0,0|1,0,0]=3 443 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,2,0,0,0,0|0,0,0]=2 445 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,2,0,0,0,0|1,0,1]=4 447 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.35 O=[N+]([O-])C1=CC=C(O1)Br CNP0568973.0 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.125 C=CC1(C=CC(=O)O1)C CNP0559463.0 [0,2,0,0,0,0|1,0,1]=4 450 B9R1.125 CC1(CC=C(O1)O)C=O CNP0546690.0 [0,2,0,0,0,0|0,0,2]=4 451 B9R1.125 CC1=CCC(O1)(C)C=O CNP0561487.0 [0,2,0,0,0,0|0,0,2]=4 452 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,2,0,0,0,0|0,0,0]=2 453 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,2,0,0,0,0|1,0,1]=4 454 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,2,0,0,0,0|0,1,1]=4 455 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,2,0,0,0,0|0,0,0]=2 457 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,2,0,0,0,0|0,1,0]=3 458 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,2,0,0,0,0|1,1,0]=4 459 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,2,0,0,0,0|0,0,0]=2 461 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,2,0,0,0,0|0,0,0]=2 464 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,2,0,0,0,0|0,0,0]=2 465 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,2,0,0,0,0|0,0,0]=2 466 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,2,0,0,0,0|0,0,2]=4 467 B9R1.19 NS(=O)(=O)C1=CC=CS1 CNP0205312.0 [0,2,0,0,0,0|1,1,0]=4 468 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,2,0,0,0,0|0,0,0]=2 470 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,2,0,0,0,0|0,0,0]=2 471 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,2,0,0,0,0|0,1,0]=3 472 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,2,0,0,0,0|0,0,0]=2 478 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,2,0,0,0,0|0,1,0]=3 480 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.41 NC(=O)C1=C(N=CN1)N CNP0490493.0 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.41 NC(=O)C1=C(NC=N1)N CNP0545145.0 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.163 CC1(CC=CO1)C(=O)O CNP0547644.0 [0,2,0,0,0,0|0,0,2]=4 487 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,2,0,0,0,0|1,0,1]=4 488 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,2,0,0,0,0|0,0,2]=4 489 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,2,0,0,0,0|0,1,1]=4 490 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,2,0,0,0,0|0,1,1]=4 491 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [0,2,0,0,0,0|0,1,0]=3 492 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,2,0,0,0,0|0,0,0]=2 493 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,2,0,0,0,0|0,0,0]=2 494 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,2,0,0,0,0|0,0,0]=2 495 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,2,0,0,0,0|0,0,0]=2 496 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,2,0,0,0,0|1,1,0]=4 498 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,2,0,0,0,0|0,0,0]=2 500 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,2,0,0,0,0|0,1,0]=3 501 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.33 CN1N=CC=C1NC=O CNP0332631.0 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [0,2,0,0,0,0|0,0,0]=2 507 B9R1.14 O=CC1=C(SC=C1)C=O CNP0481679.0 [0,2,0,0,0,0|0,1,0]=3 508 B9R1.204 CCC1(CC=CO1)C=O CNP0526133.0 [0,2,0,0,0,0|0,0,2]=4 509 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [0,0,1,1,0,0|2,0,0]=4 510 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [0,0,1,1,0,0|2,0,0]=4 511 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,1,1,0,0|2,0,0]=4 512 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,1,1,0,0|2,0,0]=4 513 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [0,0,1,1,0,0|2,0,0]=4 514 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [0,0,1,1,0,0|2,0,0]=4 515 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [0,0,1,1,0,0|2,0,0]=4 516 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [0,0,1,1,0,0|2,0,0]=4 517 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,1,1,0,0|2,0,0]=4 518 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,0,1,1,0,0|1,0,0]=3 519 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,0,1,1,0,0|2,0,0]=4 520 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,0,1,1,0,0|1,0,0]=3 521 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,0,1,1,0,0|2,0,0]=4 522 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,0,1,1,0,0|1,1,0]=4 523 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,1,1,0,0|1,0,0]=3 524 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,1,1,0,0|2,0,0]=4 525 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|0,0,1]=3 526 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,0,1,0|0,0,2]=4