0 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,0,0,0|1,1,0]=2 10 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,0,0,0|0,1,0]=1 15 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,0,0,0|0,0,0]=0 16 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,0,0,0|1,0,3]=4 23 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,0,0,0|1,0,2]=3 26 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,0,0,0|1,1,0]=2 28 B7R1.2 CC1=NN=C(S1)N CNP0022824.0 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.2 CC1=NN=C(S1)S CNP0444982.0 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,0,0,0|2,1,1]=4 32 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,0,0,0|1,1,2]=4 33 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,0,0,0|1,0,3]=4 36 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,0,0,0,0,0|2,0,2]=4 37 B7R1.2 C[N+]1=NSC(=C1)Cl CNP0555762.0 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 NC1=CN(C=N1)P CNP0206398.0 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.2 NC1=NN=C(S1)S CNP0547322.0 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.2 NC1=NNC(=N1)N CNP0493649.0 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,0,0,0|3,1,0]=4 44 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|1,0,1]=3 45 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|1,0,1]=3 46 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|1,1,0]=3 47 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|1,0,0]=2 48 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|1,0,1]=3 50 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|1,0,0]=2 53 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|0,0,0]=1 54 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|1,0,0]=2 55 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|1,0,1]=3 56 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|1,0,1]=3 57 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|0,0,0]=1 64 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|0,1,2]=4 65 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,0,0,0|0,0,2]=3 66 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|1,1,0]=3 68 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|1,0,1]=3 69 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 N=C1NC=CN1 CNP0546499.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|1,0,1]=3 77 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|2,0,0]=3 80 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|1,0,0]=2 81 B6R1.2 NC1=NC=NN1 CNP0407759.0 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 NC1=NCCS1 CNP0490176.0 [1,0,0,0,0,0|1,0,2]=4 83 B6R1.2 NC1=NN=NS1 CNP0032114.0 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|2,1,0]=4 87 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|2,1,0]=4 89 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|2,1,0]=4 90 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 OC1=NNC=N1 CNP0175966.0 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|2,0,0]=3 94 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 CC1=CC(=NO1)C#N CNP0371806.0 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,0,0|1,1,1]=4 99 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,0,0,0|1,1,0]=3 101 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,0,0|1,1,0]=3 105 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,0,0|0,1,0]=2 108 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,0,0,0|0,0,0]=1 109 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,0,0|0,1,0]=2 115 B8R1.1 CCC1=NN=C(S1)N CNP0587490.0 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [0,1,0,0,0,0|0,0,2]=3 117 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,0,0,0|0,0,0]=1 118 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,0,0|1,1,0]=3 119 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.18 BrC1=NC(=C(N1)Br)Br CNP0018157.0 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,0,0|1,0,1]=3 125 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,0,0|1,1,0]=3 126 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,0,0|1,1,0]=3 127 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,0,0|0,1,0]=2 133 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,0,0,0|0,1,2]=4 135 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,0,0,0|0,0,2]=3 136 B8R1.18 CN1CC(=NC1=N)O CNP0479644.0 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.18 C[C@@H]1N=C(N=C1O)O CNP0188856.1 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|2,0,1]=4 145 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,0,1,0,0,0|3,0,0]=4 148 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,1,0,0,0|2,0,0]=3 151 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,1,0,0,0|2,0,0]=3 153 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,1,0,0,0|3,0,0]=4 157 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,1,0,0,0|3,0,0]=4 158 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,1,0,0,0|2,1,0]=4 159 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,1,0,0,0|2,0,0]=3 160 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,1,0,0,0|2,1,0]=4 161 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,1,0,0,0|1,0,2]=4 162 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,0,1,0,0,0|2,1,0]=4 163 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,0,1,0,0,0|2,1,0]=4 164 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,0,1,0,0,0|2,1,0]=4 165 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,0,1,0,0,0|2,1,0]=4 166 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,0,1,0,0,0|3,0,0]=4 167 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,0,1,0,0,0|2,0,0]=3 168 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,1,0,0,0|2,1,0]=4 169 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,0,1,0,0,0|1,1,1]=4 171 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,1,0,0,0|1,1,1]=4 172 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,1,0,0,0|1,1,1]=4 173 B6R0.4 COCC=C(C)C CNP0493784.0 [0,0,1,0,0,0|3,0,0]=4 174 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,0,0,0,0,1|2,0,0]=3 176 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [0,0,0,0,0,1|3,0,0]=4 180 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [0,0,0,0,0,1|2,0,0]=3 181 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,0,0,0,0,1|1,0,0]=2 183 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [0,0,0,0,0,1|2,0,0]=3 184 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,0,0,0,0,1|2,0,0]=3 185 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [0,0,0,0,0,1|2,0,1]=4 186 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,0,0,1|3,0,0]=4 187 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,0,0,0,0,1|1,0,0]=2 188 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,0,0,0,0,1|2,0,1]=4 189 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [0,0,0,0,0,1|1,0,1]=3 190 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [0,0,0,0,0,1|3,0,0]=4 192 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,0,0,0,0,1|3,0,0]=4 195 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,1|2,0,0]=3 196 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,1|2,0,1]=4 197 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,1|2,0,0]=3 200 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,0,0,1|2,0,0]=3 205 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,1|1,0,0]=2 207 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,1|2,0,1]=4 211 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,1|1,1,1]=4 214 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,1|1,0,0]=2 215 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,0,0,1|1,0,0]=2 217 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.4 NC1=NC=NC(=N1)N CNP0596829.0 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,0,0,0,0,1|3,0,0]=4 229 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,0]=3 230 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,1,0,0,0|1,0,1]=4 231 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,1]=4 232 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|1,1,0]=4 233 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|1,1,0]=4 234 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|2,0,0]=4 235 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,1,0,0,0|1,1,0]=4 236 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,1,0,0,0|1,0,0]=3 237 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|0,1,0]=3 238 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,1,0,0,0|1,1,0]=4 239 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,1,0,0,0|1,1,0]=4 240 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|1,1,0]=4 241 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,1,0,0,0|1,0,0]=3 242 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,1,0,0,0|1,0,1]=4 243 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,1,0,0,0|1,0,1]=4 244 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|0,1,1]=4 245 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|1,0,1]=4 246 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|0,1,1]=4 247 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,1,0,0,0|1,0,1]=4 248 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,1,0,0,0|1,0,1]=4 249 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,1,0,0,0|1,0,1]=4 250 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,1]=4 251 B5R0.2 CC=C=COC CNP0519318.0 [1,0,1,0,0,0|2,0,0]=4 252 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|1,0,0]=3 253 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|1,1,0]=4 254 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|1,0,1]=4 255 B5R0.2 CC=CSSC CNP0214071.0 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.2 CCC=NNC CNP0543863.0 [1,0,1,0,0,0|1,0,1]=4 257 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,0]=3 258 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|1,0,0]=3 259 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|1,0,1]=4 260 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|1,0,1]=4 261 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|1,0,1]=4 262 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|2,0,0]=4 263 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,1]=4 264 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|1,0,0]=3 265 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 266 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|1,1,0]=4 267 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|2,0,0]=4 268 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|1,0,0]=3 269 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|0,0,0]=2 270 B5R1.1 C1=CSCC1 CNP0496655.0 [2,0,0,0,0,0|1,0,1]=4 271 B5R1.1 C1=CSCS1 CNP0479150.0 [2,0,0,0,0,0|1,0,1]=4 272 B5R1.1 C1=CSSC1 CNP0490976.0 [2,0,0,0,0,0|2,0,0]=4 273 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|1,0,0]=3 274 B5R1.1 C1=NNC=N1 CNP0513348.0 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.2 C=NN(C)C=C(C)N CNP0345001.0 [0,1,1,0,0,0|2,0,0]=4 276 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,1,0,0,0|2,0,0]=4 280 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|1,1,0]=4 284 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,1,0,0,0|1,1,0]=4 285 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,1,1,0,0,0|1,1,0]=4 287 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,1,0,0,0,0|1,0,1]=4 288 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,1,0,0,0,0|1,0,1]=4 289 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,1,0,0,0,0|1,1,0]=4 290 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,1,0,0,0,0|1,0,0]=3 291 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,1,0,0,0,0|2,0,0]=4 293 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,1,0,0,0,0|0,0,0]=2 294 B7R1.1 CNC1=NN=NS1 CNP0348858.0 [1,1,0,0,0,0|2,0,0]=4 295 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,1,0,0,0,0|1,0,1]=4 296 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,1,0,0,0,0|2,0,0]=4 297 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,1,0,0,0,0|1,0,0]=3 298 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [1,1,0,0,0,0|1,1,0]=4 300 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,1,0,0,0,0|1,0,1]=4 301 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,1,0,0,0,0|1,0,1]=4 302 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,1,0,0,0,0|1,1,0]=4 303 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,1,0,0,0,0|1,0,0]=3 304 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,1,0,0,0,0|2,0,0]=4 305 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,1,0,0,0,0|1,1,0]=4 307 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,1,0,0,0,0|1,0,0]=3 308 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,1,0,0,0,0|1,1,0]=4 309 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,1,0,0,0,0|1,0,0]=3 310 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [1,1,0,0,0,0|1,0,1]=4 311 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,1,0,0,0,0|1,1,0]=4 312 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,1,0,0,0,0|0,1,0]=3 313 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,1,0,0,0,0|1,0,0]=3 314 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,1,0,0,0,0|0,0,0]=2 315 B7R1.4 CC1=CN=CN1C CNP0283331.0 [1,1,0,0,0,0|1,0,0]=3 316 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,1,0,0,0,0|1,0,0]=3 318 B7R1.4 CN1C=CN=C1N CNP0308541.0 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.4 CN1C=CN=C1S CNP0605467.0 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,1,0,0,0,1|1,0,1]=4 322 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,1,0,0,0,1|1,0,0]=3 324 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,1|1,0,0]=3 326 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,1,0,0,0,1|1,0,0]=3 330 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [0,1,0,0,0,1|1,0,0]=3 331 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.69 C=C1C=NC(=NC1=N)C CNP0524346.0 [0,1,0,0,0,1|1,0,1]=4 333 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,1|1,0,0]=3 335 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,1|1,0,0]=3 340 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,1|2,0,0]=4 341 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,1|1,0,0]=3 343 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,0,0,1|1,0,0]=3 346 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,1|1,0,0]=3 351 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,1|1,0,1]=4 352 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,1|1,0,1]=4 354 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|1,0,0]=3 356 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|1,0,0]=3 359 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,1|1,0,0]=3 364 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,1|1,0,0]=3 366 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.34 CC1=CC(=NC(=N1)Cl)C CNP0067917.0 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.34 CC1=CC(=NC(=N1)N)C CNP0449380.0 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,0,0,1|1,1,0]=4 385 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,2,0,0,0,0|0,1,0]=3 386 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,2,0,0,0,0|0,1,0]=3 389 B9R1.7 CCSC1=NN=C(S1)N CNP0027334.0 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.7 CN1C=NC(=C1)CCN CNP0415799.0 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [0,2,0,0,0,0|0,0,0]=2 394 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,2,0,0,0,0|1,1,0]=4 396 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [0,2,0,0,0,0|0,0,1]=3 397 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,2,0,0,0,0|0,1,0]=3 398 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,2,0,0,0,0|0,1,0]=3 400 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [0,2,0,0,0,0|0,0,0]=2 401 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,2,0,0,0,0|1,1,0]=4 402 B9R1.23 CC1=CC(=NC1=O)NO CNP0608993.0 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.23 CC1=CC(=NN1C)CO CNP0062885.0 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,2,0,0,0,0|0,1,0]=3 405 B9R1.23 CCC1=NC(=C(S1)C)C CNP0002548.0 [0,2,0,0,0,0|0,0,0]=2 406 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,2,0,0,0,0|0,0,2]=4 407 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,2,0,0,0,0|1,1,0]=4 409 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,2,0,0,0,0|0,1,0]=3 411 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,2,0,0,0,0|1,1,0]=4 413 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,2,0,0,0,0|1,0,1]=4 416 B9R1.35 NC1=NC=C(S1)[N+](=O)[O-] CNP0575634.0 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.36 CC1=CC(N=C1O)(C)C CNP0570737.0 [0,2,0,0,0,0|1,0,1]=4 420 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,2,0,0,0,0|1,0,1]=4 421 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,2,0,0,0,0|2,0,0]=4 422 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,1,1,0,0|1,0,1]=4 423 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,1,1,0,0|1,0,1]=4 424 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,1,1,0,0|2,0,0]=4 425 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,0,1,1,0,0|1,0,1]=4 426 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,1,1,0,0|2,0,0]=4 427 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,1,1,0,0|2,0,0]=4 428 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|1,1,0]=4 429 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,1,0,1,0|1,0,0]=3 430 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,1,0,1,0|1,0,0]=3 431 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,1,0,1,0|2,0,0]=4 432 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,1,0,1,0|1,0,1]=4 433 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,1,0,1,0|2,0,0]=4 434 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,1,0,1,0|1,0,1]=4 435 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,1,0,1,0|1,0,1]=4 436 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,1,0,1,0|1,0,1]=4 437 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,1,0,1,0|1,0,1]=4 438 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,1,0,1,0|2,0,0]=4 439 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,1,0,1,0|2,0,0]=4 440 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,2|1,1,0]=4