0 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,0,0,0|1,0,1]=2 3 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,0,0,0,0,0|1,0,1]=2 10 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 CC1=CN=NS1 CNP0149602.0 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,0,0,0|1,1,0]=2 16 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,0,0,0|1,1,1]=3 17 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,0,0,0|1,0,0]=1 18 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,0,0,0,0,0|0,0,0]=0 19 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=NC=CS1 CNP0611676.0 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,0,0,0|2,0,1]=3 22 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,0,0,0|2,0,1]=3 23 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,0,0,0|0,0,2]=2 24 B6R1.2 CC1=NN=CO1 CNP0610339.0 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,0,0,0|1,1,2]=4 26 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 CN1C=CC=C1 CNP0084622.0 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 CN1C=CN=C1 CNP0492624.0 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,0,0,0|2,0,2]=4 31 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,0,0,0|2,0,1]=3 32 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,0,0,0|1,0,3]=4 33 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,0,0,0|3,0,1]=4 35 B6R1.2 IC1=CNN=C1 CNP0529767.0 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 N=C1NC=CN1 CNP0546499.0 [0,0,0,0,0,0|3,0,1]=4 37 B6R1.2 N=C1NC=CS1 CNP0292445.0 [0,0,0,0,0,0|3,0,1]=4 38 B6R1.2 NC1=CN=CN1 CNP0269270.0 [0,0,0,0,0,0|2,0,1]=3 39 B6R1.2 NC1=COC=N1 CNP0572216.0 [0,0,0,0,0,0|1,1,0]=2 40 B6R1.2 NC1=NC=CN1 CNP0407827.0 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 NC1=NC=CS1 CNP0515899.0 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 NC1=NC=NN1 CNP0407759.0 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,0,0,0,0,0|3,0,1]=4 44 B6R1.2 NC1=NN=NS1 CNP0032114.0 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 NN1C=CC=C1 CNP0148646.0 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,0,0,0|3,0,1]=4 49 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,0,0,0|3,0,0]=3 50 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,0,0,0|3,1,0]=4 52 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,0,0,0|3,0,1]=4 53 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,0,0,0|2,0,2]=4 54 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,0,0,0|2,0,2]=4 55 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,0,0,0|4,0,0]=4 56 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,0,0,0,0,0|3,1,0]=4 58 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,0,0,0|2,0,2]=4 59 B6R1.2 OC1=NNC=N1 CNP0175966.0 [0,0,0,0,0,0|3,0,0]=3 60 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,0,0,0|3,0,1]=4 61 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,0,0,0,0,0|3,0,0]=3 63 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,0,0,0|2,0,0]=2 64 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,0,0,0|3,0,1]=4 65 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,0,0,0|2,0,0]=3 66 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,0,0,0|2,0,1]=4 67 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,0,0,0|3,0,0]=4 68 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,0,0,0|1,0,1]=3 69 B5R1.1 C1=CNC=N1 CNP0593616.0 [1,0,0,0,0,0|1,0,0]=2 70 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,0,0,0|1,0,2]=4 71 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,0,0,0|2,0,0]=3 72 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,0,0,0|1,1,0]=3 73 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,0,0,0|1,1,1]=4 74 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,0,0,0|2,0,0]=3 75 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,0,0,0|1,0,0]=2 76 B5R1.1 C1=CSC=N1 CNP0495876.0 [1,0,0,0,0,0|0,0,0]=1 77 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,0,0,0|1,0,1]=3 78 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,0,0,0|1,0,1]=3 79 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,0,0,0|2,0,0]=3 80 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [1,0,0,0,0,0|1,0,0]=2 81 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,0,0,0|1,0,2]=4 82 B5R1.1 C1=NNC=N1 CNP0513348.0 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,1,0,0,0,0|2,0,1]=4 84 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,0,0,0|2,0,1]=4 89 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,1,0,0,0,0|1,1,0]=3 90 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.1 CNC1=NN=NS1 CNP0348858.0 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,1,0,0,0,0|1,0,1]=3 95 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,1,0,0,0,0|1,1,0]=3 96 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,1,0,0,0,0|1,0,1]=3 97 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,1,0,0,0,0|1,0,2]=4 100 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,1,0,0,0,0|2,0,1]=4 101 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,0,0,0|1,1,1]=4 107 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,0,0,0|1,0,1]=3 108 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,1,0,0,0,0|1,1,0]=3 111 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,1,0,0,0,0|1,0,0]=2 112 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,0,0,0|2,0,1]=4 115 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,0,0,0|1,1,1]=4 121 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,0,0,0|2,0,1]=4 122 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,1,0,0,0,0|1,0,1]=3 124 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,1,0,0,0,0|1,0,1]=3 129 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,1,0,0,0,0|1,0,0]=2 132 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,1,0,0,0,0|1,0,0]=2 133 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,0,0,0|1,1,0]=3 134 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,1,0,0,0,0|0,1,0]=2 135 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,1,0,0,0,0|1,0,0]=2 136 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,1,0,0,0,0|0,0,0]=1 137 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,0,0,0|1,0,2]=4 138 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,0,0,0|0,1,2]=4 139 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,0,0,0|0,0,2]=3 140 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.2 CC1=NN=C(S1)N CNP0022824.0 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=NN=C(S1)S CNP0444982.0 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,0,0,0|2,0,1]=4 147 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.2 C[N+]1=NSC(=C1)Cl CNP0555762.0 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.2 NC1=CN(C=N1)P CNP0206398.0 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.2 NC1=NNC(=N1)N CNP0493649.0 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,0,0,0|2,0,1]=4 154 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,0,0,0|3,0,0]=4 155 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,0,0,0|2,0,1]=4 156 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,0,0,0|1,0,2]=4 157 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,1,0,0,0,0|1,0,2]=4 158 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,0,0,0|2,0,1]=4 164 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,0,0,0|2,0,1]=4 165 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,0,0,0|1,1,0]=3 166 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,1,0,0,0,0|0,1,0]=2 167 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,0,0,0|1,0,0]=2 168 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,1,0,0,0,0|0,0,0]=1 169 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,0,0,0|1,1,1]=4 171 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,1,0,0,0,0|1,0,1]=3 172 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,1,0,0,0,0|1,0,0]=2 173 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,0,0,0|1,0,1]=3 175 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,1,0,0,0,0|3,0,0]=4 177 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,1,0,0,0,0|2,0,1]=4 179 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.4 CN1N=NN=C1S CNP0474600.0 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,1,0,0,0,0|2,1,0]=4 183 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,0,1,0,0,0|2,0,0]=3 184 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,1,0,0,0|2,0,1]=4 185 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,1,0,0,0|1,1,1]=4 186 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,0,1,0,0,0|2,0,0]=3 187 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,1,0,0,0|2,0,1]=4 188 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,1,0,0,0|3,0,0]=4 189 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,0,1,0,0,0|1,1,1]=4 191 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,1,0,0,0|3,0,0]=4 192 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,1,0,0,0|1,0,2]=4 193 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,1,0,0,0|3,0,0]=4 194 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,1,0,0,0|2,0,1]=4 195 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,1,0,0,0|2,0,1]=4 196 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,0,1,0,0,0|2,0,1]=4 197 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,1,0,0,0|2,0,1]=4 198 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,1,0,0,0|2,0,1]=4 199 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,1,0,0,0|2,0,1]=4 200 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,1,0,0,0|1,0,2]=4 201 B5R0.2 C=C=CCC=O CNP0509236.0 [0,0,1,0,0,0|3,0,0]=4 202 B5R0.2 C=CC=CC=C CNP0612137.0 [0,0,1,0,0,0|2,0,1]=4 203 B5R0.2 C=CC=CC=O CNP0022566.0 [0,0,1,0,0,0|2,0,1]=4 204 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,1,0,0,0|2,0,1]=4 205 B5R0.2 C=CCC=CC CNP0292090.0 [0,0,1,0,0,0|2,0,0]=3 206 B5R0.2 C=CSSCC CNP0003136.0 [0,0,1,0,0,0|2,0,1]=4 207 B5R0.2 CC=C=CCO CNP0426440.0 [0,0,1,0,0,0|3,0,0]=4 208 B5R0.2 CC=C=COC CNP0519318.0 [0,0,1,0,0,0|1,1,1]=4 209 B5R0.2 CC=CC=CC CNP0611428.0 [0,0,1,0,0,0|2,0,0]=3 210 B5R0.2 CC=CCC#N CNP0080085.0 [0,0,1,0,0,0|1,0,2]=4 211 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,1,0,0,0|2,0,0]=3 212 B5R0.2 CC=CCCC CNP0419577.0 [0,0,1,0,0,0|2,0,1]=4 213 B5R0.2 CC=CCCO CNP0253382.0 [0,0,1,0,0,0|2,0,1]=4 214 B5R0.2 CC=CSSC CNP0214071.0 [0,0,1,0,0,0|2,0,0]=3 215 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,1,0,0,0|2,0,1]=4 216 B5R0.2 CCC=CSC CNP0068372.0 [0,0,1,0,0,0|1,0,2]=4 217 B5R0.2 CCC=CSO CNP0458289.0 [0,0,1,0,0,0|2,0,1]=4 218 B5R0.2 CCC=NNC CNP0543863.0 [0,0,1,0,0,0|2,0,1]=4 219 B5R0.2 CSC=CSC CNP0075985.0 [0,0,1,0,0,0|2,0,1]=4 220 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,0,1,0,0,0|2,0,0]=3 221 B5R0.3 CC(=NO)CO CNP0284253.0 [0,0,1,0,0,0|1,1,1]=4 222 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,0,1,0,0,0|1,1,1]=4 223 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,1,0,0,0|2,0,1]=4 224 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,1,0,0,0|3,0,0]=4 225 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,1,0,0,0|1,0,1]=3 226 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,1,0,0|1,1,0]=3 227 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [0,0,0,0,0,1|3,0,0]=4 228 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [0,0,0,0,0,1|2,0,1]=4 229 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,0,0,0,1|2,0,0]=3 230 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,0,0,0,1|1,0,0]=2 231 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,0,0,1|2,0,0]=3 232 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,0,0,0,1|1,0,0]=2 233 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,0,0,0,1|2,0,0]=3 234 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,0,0,0,1|1,0,0]=2 235 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,0,0,1|2,0,0]=3 236 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,0,0,1|2,0,1]=4 237 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,0,0,0,0,1|1,0,0]=2 238 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,0,0,0,0,1|2,0,1]=4 239 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,0,0,0,0,1|2,0,1]=4 240 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [0,0,0,0,0,1|3,0,0]=4 242 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [0,0,0,0,0,1|3,0,0]=4 245 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [0,0,0,0,0,1|3,0,0]=4 246 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [0,0,0,0,0,1|3,0,0]=4 248 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [0,0,0,0,0,1|2,0,0]=3 249 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [0,0,0,0,0,1|2,0,0]=3 250 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [0,0,0,0,0,1|3,0,0]=4 251 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [0,0,0,0,0,1|3,0,0]=4 252 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [0,0,0,0,0,1|2,0,0]=3 253 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,0,0,0,0,1|2,0,1]=4 254 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,0,0,0,1|2,0,1]=4 256 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,0,0,1|3,0,0]=4 257 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,0,0,0,0,1|2,0,0]=3 258 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,0,0,0,0,1|3,0,0]=4 259 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,0,0,0,0,1|2,1,0]=4 260 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,0,0,0,0,1|2,0,1]=4 261 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,0,0,1|2,0,1]=4 262 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,0,0,1|1,0,2]=4 263 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,0,0,0,0,1|3,0,0]=4 264 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,0,0,0,0,1|2,0,0]=3 265 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,0,0,0,0,1|2,0,0]=3 266 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,0,0,0,0,1|3,0,0]=4 267 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,0,0,1|2,0,1]=4 268 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,0,0,0,0,1|3,0,0]=4 269 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [0,0,0,0,0,1|2,0,0]=3 270 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,1,0,0,0|1,0,1]=4 271 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,1,0,0,0|1,0,1]=4 272 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,1,0,0,0|0,1,0]=3 273 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,1,0,0,0|1,0,1]=4 274 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,1,0,0,0|0,1,1]=4 275 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,1,0,0,0|1,1,0]=4 276 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,1,0,0,0|1,0,0]=3 277 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,1,0,0,0|1,0,0]=3 278 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,1,0,0,0|1,0,0]=3 279 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,1,0,0,0|2,0,0]=4 280 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,1,0,0,0|1,0,1]=4 281 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,1,0,0,0|2,0,0]=4 282 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,1,0,0,0|2,0,0]=4 283 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,1,0,0,0|1,0,1]=4 284 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,1,0,0,0|1,0,1]=4 285 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,1,0,0,0|1,0,1]=4 286 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,1,0,0,0|0,1,1]=4 287 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,1,0,0,0|1,1,0]=4 288 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,1,0,0,0|1,0,1]=4 289 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,1,0,0,0|1,1,0]=4 290 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,1,0,0,0|1,0,1]=4 291 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,1,0,0,0|1,0,1]=4 292 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,1,0,0,0|1,0,1]=4 293 B4R0.2 C#CC=CC CNP0541501.0 [1,0,1,0,0,0|1,0,1]=4 294 B4R0.2 C=C=CCC CNP0484675.0 [1,0,1,0,0,0|1,0,1]=4 295 B4R0.2 C=CC=CC CNP0501543.0 [1,0,1,0,0,0|1,0,0]=3 296 B4R0.2 C=CC=NO CNP0532391.0 [1,0,1,0,0,0|2,0,0]=4 297 B4R0.2 C=CCC=C CNP0494589.0 [1,0,1,0,0,0|1,0,1]=4 298 B4R0.2 C=CCCC CNP0529271.0 [1,0,1,0,0,0|1,0,1]=4 299 B4R0.2 C=CCSC CNP0572475.0 [1,0,1,0,0,0|2,0,0]=4 300 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,1,0,0,0|2,0,0]=4 301 B4R0.2 C=COCC CNP0567970.0 [1,0,1,0,0,0|1,0,1]=4 302 B4R0.2 C=CSC=C CNP0525399.0 [1,0,1,0,0,0|1,0,0]=3 303 B4R0.2 C=CSCC CNP0581257.0 [1,0,1,0,0,0|1,0,1]=4 304 B4R0.2 CC=CC#N CNP0588304.0 [1,0,1,0,0,0|0,0,2]=4 305 B4R0.2 CC=CC=O CNP0576575.0 [1,0,1,0,0,0|1,0,0]=3 306 B4R0.2 CC=CCC CNP0524560.0 [1,0,1,0,0,0|1,0,1]=4 307 B4R0.2 CC=CCO CNP0498228.0 [1,0,1,0,0,0|1,0,1]=4 308 B4R0.2 CC=CCS CNP0606069.0 [1,0,1,0,0,0|1,0,1]=4 309 B4R0.2 CC=CSC CNP0587371.0 [1,0,1,0,0,0|0,0,1]=3 310 B4R0.2 CC=CSO CNP0521494.0 [1,0,1,0,0,0|1,0,0]=3 311 B4R0.2 CN=CC=S CNP0547393.0 [1,0,1,0,0,0|0,0,2]=4 312 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,1,0,0,0|2,0,0]=4 313 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,1,0,0,0|2,0,0]=4 314 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,1,1,0,0,0|1,1,0]=4 318 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,1,0,0,0|1,0,1]=4 319 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,1,0,0,0|2,0,0]=4 320 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,1,1,0,0,0|2,0,0]=4 321 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,1,1,0,0,0|2,0,0]=4 322 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,1,1,0,0,0|2,0,0]=4 323 B6R0.6 C=CCCC=CC CNP0426808.0 [0,1,1,0,0,0|2,0,0]=4 324 B6R0.6 CC#CSC=CC CNP0514607.0 [0,1,1,0,0,0|1,0,1]=4 325 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,1,1,0,0,0|2,0,0]=4 326 B6R0.6 CC=CC=CCC CNP0608489.0 [0,1,1,0,0,0|2,0,0]=4 327 B6R0.6 CC=CC=CCO CNP0292375.0 [0,1,1,0,0,0|2,0,0]=4 328 B6R0.6 CC=CCCC=O CNP0056069.0 [0,1,1,0,0,0|2,0,0]=4 329 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,1,0,0,0|1,0,1]=4 330 B6R0.6 CC=COC=CC CNP0612224.0 [0,1,1,0,0,0|1,1,0]=4 331 B6R0.6 CC=CSC=CC CNP0002507.0 [0,1,1,0,0,0|1,0,0]=3 332 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,1,0,0,0|1,0,1]=4 333 B6R0.6 CC=CSSCC CNP0418756.0 [0,1,1,0,0,0|1,0,1]=4 334 B6R0.6 CC=CSSSC CNP0265306.0 [0,1,1,0,0,0|2,0,0]=4 335 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,1,0,0,0|2,0,0]=4 336 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,1,0,0,1,0|1,0,1]=4 337 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,1,0,0,0,1|1,0,0]=3 338 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,1,0,0,0,1|1,0,1]=4 339 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,1,0,0,0,1|1,0,1]=4 340 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,1,0,0,0,1|1,0,0]=3 342 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,1,0,0,0,1|1,0,0]=3 343 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,1,0,0,0,1|1,0,0]=3 347 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,1,0,0,0,1|1,0,0]=3 348 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,1,0,0,0,1|1,0,0]=3 350 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,1,0,0,0,1|1,0,0]=3 352 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,1,0,0,0,1|1,0,1]=4 354 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,1,0,0,0,1|1,0,1]=4 355 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,1,0,0,0,1|1,0,1]=4 356 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,1,0,0,0,1|1,0,0]=3 358 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,1,0,0,0,1|1,0,1]=4 359 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,1,0,0,0,1|1,0,1]=4 360 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,0,0,1|2,0,0]=4 363 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,1,0,0,0,1|1,0,0]=3 364 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,1,0,0,0,1|2,0,0]=4 366 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,1,0,0,0,1|1,0,0]=3 369 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [0,1,0,0,0,1|1,0,0]=3 378 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,1,0,0,0,1|1,0,0]=3 379 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,1,0,0,0,1|1,0,0]=3 380 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [0,1,0,0,0,1|1,0,0]=3 381 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [0,1,0,0,0,1|1,0,1]=4 383 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,1,0,0,0,1|1,0,0]=3 385 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,1,0,0,0,1|1,0,1]=4 386 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [0,1,0,0,0,1|1,0,1]=4 387 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,1,0,0,0,1|1,0,0]=3 393 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,0,0,1|1,0,1]=4 394 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,1,0,0,0,1|1,0,0]=3 401 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,1,0,0,0,1|1,0,0]=3 403 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,1,0,0,0,1|1,0,1]=4 404 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,1,0,0,0,1|1,0,0]=3 405 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,1,0,0,0,1|1,0,0]=3 407 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,1,0,0,0,1|1,0,1]=4 408 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,1,0,0,0,1|1,0,0]=3 412 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,0,0,1|0,0,1]=3 415 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,1,0,0,0,1|1,0,0]=3 416 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.4 NC1=NC=NC(=N1)N CNP0596829.0 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,1,0,0,0,1|2,0,0]=4 430 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,1,0,0,0,1|1,0,1]=4 438 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,1,0,0,0,1|1,0,1]=4 439 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,1,0,0,0,1|1,0,0]=3 440 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,1,0,0,0,1|1,0,1]=4 442 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,1,0,0,0,1|1,0,1]=4 445 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,1,0,0,0,1|2,0,0]=4 449 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,1,0,0,0,1|2,0,0]=4 450 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,2,0,0,0,0|1,0,1]=4 454 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,2,0,0,0,0|2,0,0]=4 464 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,2,0,0,0,0|0,1,0]=3 465 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,2,0,0,0,0|0,0,0]=2 466 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,2,0,0,0,0|0,1,0]=3 468 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,2,0,0,0,0|0,0,0]=2 469 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,2,0,0,0,0|2,0,0]=4 471 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,2,0,0,0,0|1,0,1]=4 476 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,2,0,0,0,0|1,0,0]=3 479 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,2,0,0,0,0|2,0,0]=4 482 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,2,0,0,0,0|1,1,0]=4 484 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,2,0,0,0,0|1,0,1]=4 486 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,2,0,0,0,0|1,0,1]=4 487 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,2,0,0,0,0|1,0,1]=4 488 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,2,0,0,0,0|0,0,1]=3 489 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,2,0,0,0,0|1,0,1]=4 490 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,2,0,0,0,0|2,0,0]=4 493 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,2,0,0,0,0|1,0,1]=4 501 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,2,0,0,0,0|1,0,0]=3 502 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,2,0,0,0,0|1,0,1]=4 504 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,2,0,0,0,0|1,0,1]=4 507 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,2,0,0,0,0|2,0,0]=4 508 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,2,0,0,0,0|1,0,0]=3 509 B8R1.8 ON=CC1=CSN=N1 CNP0043358.0 [0,2,0,0,0,0|1,0,1]=4 510 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,2,0,0,0,0|0,0,0]=2 511 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,2,0,0,0,0|0,1,0]=3 512 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,2,0,0,0,0|1,0,0]=3 513 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,2,0,0,0,0|0,1,0]=3 514 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,2,0,0,0,0|0,0,0]=2 515 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,2,0,0,0,0|1,1,0]=4 516 B8R1.11 ClCC1=C(SN=N1)Cl CNP0442220.0 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.18 BrC1=NC(=C(N1)Br)Br CNP0018157.0 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,2,0,0,0,0|1,0,0]=3 519 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,2,0,0,0,0|0,0,0]=2 520 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,2,0,0,0,0|1,0,1]=4 521 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,2,0,0,0,0|1,1,0]=4 522 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,2,0,0,0,0|1,1,0]=4 525 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,2,0,0,0,0|0,1,0]=3 526 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,2,0,0,0,0|0,0,0]=2 527 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,2,0,0,0,0|0,0,2]=4 528 B8R1.18 C[C@@H]1N=C(N=C1O)O CNP0188856.1 [0,2,0,0,0,0|1,0,1]=4 529 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,2,0,0,0,0|2,0,0]=4 531 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [0,0,1,1,0,0|1,0,1]=4 532 B6R1.1 C1=CCC=CC1 CNP0508932.0 [0,0,1,1,0,0|2,0,0]=4 533 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,0,1,1,0,0|2,0,0]=4 534 B6R1.1 C1=CCN=CC1 CNP0062927.0 [0,0,1,1,0,0|1,0,0]=3 535 B6R1.1 C1=CCNC=C1 CNP0081217.0 [0,0,1,1,0,0|1,0,1]=4 536 B6R1.1 C1=CCOC=C1 CNP0513975.0 [0,0,1,1,0,0|2,0,0]=4 537 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [0,0,1,1,0,0|2,0,0]=4 538 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [0,0,1,1,0,0|1,0,1]=4 539 B6R1.1 C1=CNCN=C1 CNP0472134.0 [0,0,1,1,0,0|2,0,0]=4 540 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,1,1,0,0|2,0,0]=4 541 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [0,0,0,1,0,1|2,0,0]=4 542 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,0,1,0|0,1,1]=4 543 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,0,2,0|0,0,1]=3 544 B4R1.2 CC1CS1 CNP0482664.0 [0,0,0,0,2,0|0,0,2]=4 545 B4R1.2 C[C@H]1CS1 CNP0482664.1 [0,0,0,0,2,0|0,0,2]=4