0 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,0,0|1,1,0]=2 7 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,0,0|0,1,0]=1 8 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,0,0|0,0,0]=0 10 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 CN1N=NN=C1S CNP0474600.0 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,0,0|3,1,0]=4 25 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|1,0,1]=3 26 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|1,0,1]=3 27 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|1,1,0]=3 28 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|1,0,0]=2 29 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|2,0,1]=4 30 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|1,0,1]=3 31 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|2,0,0]=3 33 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|1,0,0]=2 34 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|0,0,0]=1 35 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|1,0,0]=2 36 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|1,0,1]=3 37 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|1,0,0]=2 38 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|2,0,0]=3 39 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|1,1,0]=3 40 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|1,1,1]=4 41 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|1,0,0]=2 42 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|0,0,0]=1 43 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,0,0,0|0,0,2]=3 48 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|1,1,0]=3 49 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|1,0,2]=4 50 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|1,1,0]=3 58 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 NC1=NC=NN1 CNP0407759.0 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 NC1=NN=NS1 CNP0032114.0 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|2,1,0]=4 66 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 OC1=NNC=N1 CNP0175966.0 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,1,0,0,0,0|0,0,1]=2 72 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,0,0|0,1,1]=3 73 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,0,0|0,1,0]=2 77 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,0,0|0,0,0]=1 78 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.11 ClCC1=C(SN=N1)Cl CNP0442220.0 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.11 NCC1=CON=C1O CNP0204327.0 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.18 BrC1=NC(=C(N1)Br)Br CNP0018157.0 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,0,0|0,0,0]=1 84 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,0,0|1,1,0]=3 86 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,0,0|2,1,0]=4 87 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,0,0|2,1,0]=4 90 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,0,0|0,1,0]=2 92 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,0,0|0,0,0]=1 93 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,0,0,0|0,1,2]=4 94 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,0,0,0|0,0,2]=3 95 B8R1.18 CN1CC(=NC1=N)O CNP0479644.0 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.18 C[C@@H]1N=C(N=C1O)O CNP0188856.1 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|2,0,0]=3 108 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,0,1,0,0,0|3,0,0]=4 109 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,0,1,0,0,0|2,1,0]=4 110 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,1,0,0,0|1,1,0]=3 111 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,0,0|1,1,1]=4 112 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,1,0,0,0|1,0,2]=4 114 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|2,0,1]=4 117 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,1,0,0,0|1,0,2]=4 118 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.6 CC=CSSSC CNP0265306.0 [0,0,1,0,0,0|3,0,0]=4 122 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,0,1,0|0,0,3]=4 123 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,1|2,0,1]=4 125 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,1|2,1,0]=4 126 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,1|3,0,0]=4 127 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,1|3,0,0]=4 130 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,1|3,0,0]=4 131 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,0,0,1|3,0,0]=4 132 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,0,0,1|3,0,0]=4 134 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,1|1,0,0]=2 135 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,1|2,0,0]=3 136 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,0,0,1|2,0,0]=3 137 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,1|2,0,0]=3 138 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,1|2,0,1]=4 139 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|2,0,1]=4 140 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,1|3,0,0]=4 141 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,0,0,1|3,0,0]=4 142 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,0,0,0,0,1|3,0,0]=4 143 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,0,0,0,0,1|3,0,0]=4 145 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,0,0,0,0,1|3,0,0]=4 146 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,0,0,0,1|3,0,0]=4 147 B8R1.4 NC1=NC=NC(=N1)N CNP0596829.0 [0,0,0,0,0,1|3,0,0]=4 148 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,0,0,0,0,1|3,0,0]=4 149 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,0,0,0,0,1|3,0,0]=4 152 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,0,0,0,1|2,0,1]=4 153 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,0,0,0,0,1|2,0,0]=3 154 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,0,0,1|2,0,0]=3 156 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,0,0,1|3,0,0]=4 161 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,0,0,0,1|1,0,0]=2 162 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,0,0,0,1|2,0,0]=3 163 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,0,0,0,1|2,0,1]=4 164 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,0,0,0,0,1|1,0,0]=2 165 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,0,0,0,1|2,0,0]=3 166 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,0,0,1|2,0,0]=3 168 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,0,0,0,1|1,0,0]=2 169 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,0,0,1|2,0,1]=4 175 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|2,0,0]=4 176 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|2,0,0]=4 177 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|1,1,0]=4 178 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,1,0,0,0|1,0,1]=4 179 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,1,0,0,0|1,1,0]=4 180 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,1]=4 181 B5R0.2 CC=C=COC CNP0519318.0 [1,0,1,0,0,0|1,1,0]=4 182 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|1,0,0]=3 183 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|1,1,0]=4 184 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|1,0,1]=4 185 B5R0.2 CC=CSSC CNP0214071.0 [1,0,1,0,0,0|1,0,0]=3 186 B5R0.2 CCC=CSC CNP0068372.0 [1,0,1,0,0,0|1,0,1]=4 187 B5R0.2 CCC=NNC CNP0543863.0 [1,0,1,0,0,0|1,0,1]=4 188 B5R0.2 CSC=CSC CNP0075985.0 [1,0,1,0,0,0|2,0,0]=4 189 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,0]=3 190 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|0,1,0]=3 191 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|1,0,1]=4 192 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|0,1,1]=4 193 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|0,0,1]=3 194 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,1,0,0,0|1,0,0]=3 195 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,1,0,0,0|0,1,0]=3 196 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,1,0,0,0|1,1,0]=4 197 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,1,0,0,0|1,0,1]=4 198 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,1,0,0,0|1,1,0]=4 199 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,1,0,0,0|0,1,1]=4 200 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,1,0,0,0|0,1,1]=4 201 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,1,0,0,0|1,0,1]=4 202 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,1,0,0,0|0,1,1]=4 203 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,1,0,0,0|1,1,0]=4 204 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,1,0,0,0|1,1,0]=4 205 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,1,0,0,0|1,0,1]=4 206 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|2,0,0]=4 207 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,1]=4 208 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|1,0,0]=3 209 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 210 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|1,1,0]=4 211 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|2,0,0]=4 212 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|1,0,0]=3 213 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|0,0,0]=2 214 B5R1.1 C1=CSCC1 CNP0496655.0 [2,0,0,0,0,0|1,0,1]=4 215 B5R1.1 C1=CSCS1 CNP0479150.0 [2,0,0,0,0,0|1,0,1]=4 216 B5R1.1 C1=CSSC1 CNP0490976.0 [2,0,0,0,0,0|2,0,0]=4 217 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|1,0,0]=3 218 B5R1.1 C1=NNC=N1 CNP0513348.0 [2,0,0,0,0,0|2,0,0]=4 219 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,1,1,0,0,0|1,0,1]=4 220 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,1,0,0,0|1,1,0]=4 221 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,1,0,0,0|1,1,0]=4 222 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|1,1,0]=4 224 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|2,0,0]=4 229 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,1,0,0,0,0|1,0,1]=4 230 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,1,0,0,0,0|1,0,1]=4 231 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,1,0,0,0,0|1,1,0]=4 232 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,1,0,0,0,0|1,0,0]=3 233 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,1,0,0,0,0|1,1,0]=4 234 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,1,0,0,0,0|1,0,0]=3 235 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,1,0,0,0,0|2,0,0]=4 236 B7R1.1 CNC1=NN=NS1 CNP0348858.0 [1,1,0,0,0,0|2,0,0]=4 237 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,1,0,0,0,0|1,0,1]=4 238 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,1,0,0,0,0|1,1,0]=4 239 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,1,0,0,0,0|1,0,1]=4 240 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,1,0,0,0,0|1,0,0]=3 241 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [1,1,0,0,0,0|1,1,0]=4 242 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,1,0,0,0,0|1,0,1]=4 243 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,1,0,0,0,0|1,0,1]=4 244 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,1,0,0,0,0|1,0,1]=4 245 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,1,0,0,0,0|1,1,0]=4 246 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,1,0,0,0,0|1,0,0]=3 247 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,1,0,0,0,0|1,1,0]=4 248 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,1,0,0,0,0|1,0,0]=3 249 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,1,0,0,0,0|1,1,0]=4 250 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,1,0,0,0,0|1,0,0]=3 251 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,1,0,0,0,0|1,1,0]=4 252 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,1,0,0,0,0|1,0,0]=3 253 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,1,0,0,0,0|2,0,0]=4 254 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [1,1,0,0,0,0|1,0,1]=4 255 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,1,0,0,0,0|1,0,1]=4 256 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,1,0,0,0,0|1,1,0]=4 257 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,1,0,0,0,0|1,0,0]=3 258 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,1,0,0,0,0|1,1,0]=4 259 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,1,0,0,0,0|1,0,0]=3 260 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,1,0,0,0,0|1,0,0]=3 261 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,1,0,0,0,0|0,1,0]=3 262 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,1,0,0,0,0|0,0,0]=2 263 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,1,0,0,0,0|1,0,0]=3 264 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,1,0,0,0,0|1,0,0]=3 265 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,1,0,0,0,0|1,1,0]=4 266 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,1,0,0,0,0|0,1,0]=3 267 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,1,0,0,0,0|1,0,0]=3 268 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,1,0,0,0,0|0,0,0]=2 269 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [1,1,0,0,0,0|0,0,2]=4 270 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,1,0,0,0,0|2,0,0]=4 271 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [1,1,0,0,0,0|1,1,0]=4 272 B7R1.2 CC1=NN=C(S1)N CNP0022824.0 [1,1,0,0,0,0|1,0,0]=3 273 B7R1.2 CC1=NN=C(S1)S CNP0444982.0 [1,1,0,0,0,0|1,0,0]=3 274 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,1,0,0,0,0|2,0,0]=4 275 B7R1.2 NC1=CN(C=N1)P CNP0206398.0 [1,1,0,0,0,0|2,0,0]=4 276 B7R1.2 NC1=NN=C(S1)S CNP0547322.0 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,1|1,0,1]=4 279 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|1,0,0]=3 281 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|2,0,0]=4 283 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|1,0,0]=3 284 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,1|2,0,0]=4 290 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,1|1,0,0]=3 292 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,0,0,1|2,0,0]=4 297 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,0,0,1|2,0,0]=4 298 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,0,0,1|1,0,0]=3 299 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.34 CC1=CC(=NC(=N1)Cl)C CNP0067917.0 [0,1,0,0,0,1|1,0,0]=3 301 B9R1.34 CC1=CC(=NC(=N1)N)C CNP0449380.0 [0,1,0,0,0,1|1,0,0]=3 302 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,1|1,1,0]=4 304 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.69 C=C1C=NC(=NC1=N)C CNP0524346.0 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,1|1,0,0]=3 307 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,1|2,0,0]=4 314 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,1|2,0,0]=4 315 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,1|1,0,1]=4 316 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,1|2,0,0]=4 319 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,1|1,0,0]=3 320 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,1|1,0,0]=3 322 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,1|1,0,0]=3 324 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,1|2,0,0]=4 327 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,1|1,0,0]=3 329 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [0,2,0,0,0,0|0,0,1]=3 331 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,2,0,0,0,0|0,1,0]=3 332 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [0,2,0,0,0,0|0,0,0]=2 333 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,2,0,0,0,0|0,1,0]=3 334 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [0,2,0,0,0,0|0,0,0]=2 335 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,2,0,0,0,0|1,1,0]=4 336 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,2,0,0,0,0|0,1,0]=3 338 B9R1.33 CC1=C(SC=N1)CCCl CNP0572414.0 [0,2,0,0,0,0|0,0,0]=2 339 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,2,0,0,0,0|0,0,0]=2 340 B9R1.33 CSSC1=C(OC=C1)C CNP0370281.0 [0,2,0,0,0,0|1,1,0]=4 341 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,2,0,0,0,0|1,1,0]=4 342 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,2,0,0,0,0|1,0,0]=3 343 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,2,0,0,0,0|0,1,1]=4 344 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,2,0,0,0,0|1,0,1]=4 345 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.23 CC1=CC(=NC1=O)NO CNP0608993.0 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.23 CC1=CC(=NN1C)CO CNP0062885.0 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,2,0,0,0,0|0,1,0]=3 350 B9R1.23 CCC1=NC(=C(S1)C)C CNP0002548.0 [0,2,0,0,0,0|0,0,0]=2 351 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,2,0,0,0,0|0,0,2]=4 352 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,2,0,0,0,0|1,0,1]=4 354 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,2,0,0,0,0|1,1,0]=4 355 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [0,2,0,0,0,0|2,0,0]=4 356 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,1,1,0,0|1,0,1]=4 357 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,1,1,0,0|1,0,1]=4 358 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,1,1,0,0|1,0,1]=4 359 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,1,1,0,0|2,0,0]=4 360 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,0,1,1,0,0|2,0,0]=4 361 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|1,1,0]=4 362 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,1|2,0,0]=4 363 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,1|2,0,0]=4 364 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,0,2,0|0,0,2]=4 365 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,2|2,0,0]=4