0 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)NC1=CC=NC=C1 7350AB [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(=O)NC1=CN=CC=C1 6108AE [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(=O)NC1=NC=CC=C1 Y5038 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 NC(=O)CC1=NC=CC=N1 Z3997 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 4299AL [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 NC(=O)OC1=CC=CC=C1 7861AF [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 NC(=S)NC1=CC=NC=C1 5284AD [0,0,0,0,0,0|3,0,1]=4 15 B9R1.8 BrCCC1=NC=CC=C1 W8132 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 BrCC[N+]1=CC=CC=C1 V0516 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 C=COC1=CC=CC=C1 1277AQ [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 CC#CC1=CC=CC=C1 4952AL [1,0,0,0,0,0|0,0,2]=3 19 B9R1.8 CCCC1=NC=CC=C1 C946 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 CCCC1=NC=CN=C1 6087AD [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CCNC1=CC=CC=N1 5047AL [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CCOC1=NN=CC=C1 W7464 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 COCC1=CC=CN=C1 5231AH [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 COCC1=CC=NC=C1 5493AH [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 COCC1=NC=CC=C1 V2195 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CSCC1=CC=CC=C1 7914AF [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [1,0,0,0,0,0|0,0,2]=3 29 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 ClCCC1=NC=CC=C1 W3687 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 ICCC1=CC=CC=C1 4037AL [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 N#COC1=CC=CC=C1 3790AL [1,0,0,0,0,0|1,0,2]=4 33 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|0,0,0]=1 34 B9R1.8 NCCC1=CC=CN=C1 9756AD [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 NCCC1=CC=CN=C1 W8702 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 NCCC1=CC=NC=C1 W7604 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 NNCC1=CC=NC=C1 2364AF [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 N\N=C\C1=CC=CC=C1 7871AF [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 O=S=NC1=CC=CC=C1 8948AJ [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 OCCC1=CC=CC=C1 V0900 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 OCCC1=CC=CN=C1 Y9667 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 OCCC1=CC=NC=C1 6680AL [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 ONCC1=CC=CC=C1 9353AB [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 Y9586 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 [CH2][CH][CH]C1=CC=CC=C1 8736AL [1,0,0,0,0,0|0,0,3]=4 46 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 9287AB [0,1,0,0,0,0|1,0,1]=3 47 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [0,1,0,0,0,0|1,0,1]=3 48 B11R1.20 CC(=O)CC1=CC=C(I)C=C1 1094AB [0,1,0,0,0,0|1,0,1]=3 49 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 Q226 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 9364AB [0,1,0,0,0,0|2,0,1]=4 51 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 3597AB [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 V4230 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 Z8271 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Z0788 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.20 CC(C)OC1=CC=C(N)C=C1 V4472 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC(C)OC1=CC=C(O)C=C1 Y9996 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Y6445 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.20 CC1=CC=C(OC(F)F)C=C1 4991AD [0,1,0,0,0,0|3,0,0]=4 60 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 0130AF [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 FC(F)OC1=CC=C(I)C=C1 X8132 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 1638AC [0,1,0,0,0,0|1,0,1]=3 63 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 Y6115 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 6622AD [0,1,0,0,0,0|2,0,1]=4 65 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 V3810 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 5630AH [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 OC1=CC=C(OC(F)F)C=C1 V8554 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 V6832 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,1,0,0,0,0|2,0,0]=3 72 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [0,1,0,0,0,0|2,0,0]=3 73 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [0,1,0,0,0,0|1,0,0]=2 74 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,1,0,0,0,0|1,0,0]=2 75 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 5584AL [0,1,0,0,0,0|1,0,1]=3 77 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [0,1,0,0,0,0|2,0,0]=3 78 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 U170 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [0,1,0,0,0,0|1,0,1]=3 80 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [0,1,0,0,0,0|1,0,1]=3 81 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [0,1,0,0,0,0|1,0,1]=3 82 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 6492AB [0,1,0,0,0,0|2,0,1]=4 83 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [0,1,0,0,0,0|2,0,0]=3 84 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [0,1,0,0,0,0|1,0,1]=3 85 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,1,0,0,0,0|1,0,0]=2 86 B11R1.40 COC(=O)CC1=CC=CN=C1 X5277 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.40 NNC(=O)NC1=CC=CC=C1 5322AE [0,1,0,0,0,0|2,0,1]=4 88 B11R1.40 N[C@H](CS)SC1=NC=CC=C1 Z6843 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 6479AD [0,1,0,0,0,0|1,0,1]=3 90 B11R1.40 O=C(CBr)NC1=CC=CC=C1 7553AB [0,1,0,0,0,0|2,0,1]=4 91 B11R1.40 O=C(CCl)NC1=CC=CC=C1 V6785 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 9403AJ [0,1,0,0,0,0|1,0,1]=3 93 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 0110AB [0,1,0,0,0,0|2,0,1]=4 94 B11R1.86 CC(=O)OC1=C(Cl)C=CC=C1 5581AL [0,1,0,0,0,0|2,0,1]=4 95 B11R1.86 CC(=O)OC1=CC=CC=C1I 0334AE [0,1,0,0,0,0|2,0,1]=4 96 B11R1.86 CC(C)NC1=NC=CC=C1N 8159AD [0,1,0,0,0,0|3,0,0]=4 97 B11R1.86 CC(C)OC1=C(I)C=CC=N1 9447AE [0,1,0,0,0,0|3,0,0]=4 98 B11R1.86 CC(C)OC1=CC=CC=C1F Y3731 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.86 CC(C)OC1=CC=CC=C1N W5162 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.86 CC(C)SC1=CC=CC=C1N V7063 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.86 CC1=CC=CC=C1OC(C)C V5254 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.86 CC1=CC=CC=C1OC(F)F 3070AE [0,1,0,0,0,0|3,0,0]=4 103 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,1,0,0,0,0|2,0,0]=3 104 B11R1.86 FC(F)OC1=CC=CC=C1Br X8171 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 7455AH [0,1,0,0,0,0|2,0,1]=4 106 B11R1.86 NC(=O)CC1=CC=CC=C1Br V7162 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.86 NC(=O)CC1=CC=CC=C1Cl 5189AJ [0,1,0,0,0,0|1,0,1]=3 108 B11R1.86 NC(=O)NC1=CC=CC=C1Br 5783AA [0,1,0,0,0,0|2,0,1]=4 109 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 8966AA [0,1,0,0,0,0|1,0,1]=3 110 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 9330AB [0,1,0,0,0,0|2,0,1]=4 111 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 Z4634 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.157 CC(C)NC1=NC=CC(Br)=C1 Z8259 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.157 CC1=CC=CC(OC(C)C)=C1 V4050 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 W7149 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.157 OC1=CC=CC(OC(F)F)=C1 4639AC [0,1,0,0,0,0|3,0,0]=4 116 B11R1.509 CC(C)(C)CC1=CC=CC=C1 0255AA [0,1,0,0,0,0|1,0,0]=2 117 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 8793AL [0,1,0,0,0,0|3,0,0]=4 118 B11R1.509 FC(F)(Cl)OC1=CC=CC=C1 V7697 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.509 FC(F)(F)CC1=CC=CC=C1 7211AD [0,1,0,0,0,0|2,0,0]=3 120 B11R1.509 FC(F)(F)CC1=CC=CN=C1 8679AC [0,1,0,0,0,0|3,0,0]=4 121 B11R1.509 FC(F)(F)OC1=CC=CC=C1 I078 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.509 FC(F)(F)SC1=CC=CC=C1 3931AE [0,1,0,0,0,0|3,0,0]=4 123 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [0,0,0,1,0,0|0,0,0]=1 124 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,1,0,0|0,0,0]=1 125 B11R2.10 CC1=CC2=C(C=CC=C2)C1 1054AB [0,0,0,1,0,0|1,0,1]=3 126 B11R2.10 CC1=CC2=C(C=CC=C2)S1 3343AA [0,0,0,1,0,0|1,0,2]=4 127 B11R2.10 CC1=NC2=CC=CN=C2N1 V7266 [0,0,0,1,0,0|2,0,1]=4 128 B11R2.10 CC1CC2=C(C=CC=C2)O1 5226AL [0,0,0,1,0,0|1,0,0]=2 129 B11R2.10 CN1C=C2C=CC=CC2=N1 V6146 [0,0,0,1,0,0|1,0,2]=4 130 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,0,0,1,0,0|1,0,2]=4 131 B11R2.10 NN1N=C2C=CC=CC2=N1 5496AL [0,0,0,1,0,0|3,0,0]=4 132 B11R2.10 O=C1CC2=C(C=CC=N2)N1 3636AB [0,0,0,1,0,0|2,0,1]=4 133 B11R2.10 O=C1CC2=CC=CN=C2N1 W7017 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.10 O=C1CC2=CN=CC=C2N1 6234AA [0,0,0,1,0,0|2,0,1]=4 135 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.6 CC(Br)C1=NC=CN=C1 5526AC [0,0,0,0,1,0|3,0,0]=4 137 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [0,0,0,0,1,0|2,0,0]=3 138 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [0,0,0,0,1,0|1,0,0]=2 139 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [0,0,0,0,1,0|1,0,0]=2 140 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [0,0,0,0,1,0|1,0,0]=2 141 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [0,0,0,0,1,0|2,0,0]=3 142 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [0,0,0,0,1,0|2,0,0]=3 143 B9R1.6 CN(C)C1=CN=CC=C1 9643AA [0,0,0,0,1,0|3,0,0]=4 144 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [0,0,0,0,1,0|2,0,0]=3 145 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [0,0,0,0,1,0|1,0,0]=2 146 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [0,0,0,0,1,0|1,0,0]=2 147 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [0,0,0,0,1,0|2,0,0]=3 148 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,0,0,0,1,0|2,0,0]=3 149 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [0,0,0,0,1,0|1,0,0]=2 150 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [0,0,0,0,1,0|1,0,0]=2 151 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [0,0,0,0,1,0|2,0,0]=3 152 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,0,0,0,1,0|2,0,0]=3 153 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [0,0,0,0,1,0|2,0,0]=3 154 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [0,0,0,0,1,0|2,0,0]=3 155 B9R1.6 FC(F)C1=CC=CC=N1 2389AA [0,0,0,0,1,0|3,0,0]=4 156 B9R1.6 FC(F)C1=CN=CC=C1 9427AE [0,0,0,0,1,0|3,0,0]=4 157 B9R1.6 N=C(N)C1=NC=CC=C1 Z3386 [0,0,0,0,1,0|2,0,1]=4 158 B9R1.6 O=C(F)C1=CC=CC=C1 3921AE [0,0,0,0,1,0|2,0,1]=4 159 B9R1.13 CC(C)CC1=NNC=C1 5899AJ [0,0,0,0,1,0|3,0,0]=4 160 B9R1.13 CC(N)CN1C=CC=N1 3672AF [0,0,0,0,1,0|2,0,0]=3 161 B9R1.13 CN(C)CC1=CC=CN1 4514AD [0,0,0,0,1,0|3,0,0]=4 162 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [0,0,0,0,0,1|1,0,1]=3 163 B11R1.91 CC(=O)C#CC1=CC=CC=C1 W3943 [0,0,0,0,0,1|1,0,2]=4 164 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [0,0,0,0,0,1|1,0,1]=3 165 B11R1.91 CC(=O)NCC1=CC=NC=C1 8097AD [0,0,0,0,0,1|2,0,1]=4 166 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [0,0,0,0,0,1|1,0,0]=2 167 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,0,1|1,0,1]=3 168 B11R1.91 N=C(N)NCC1=CC=CC=C1 8483AD [0,0,0,0,0,1|1,0,1]=3 169 B11R1.91 NC(=O)COC1=CC=CC=C1 6854AE [0,0,0,0,0,1|1,0,1]=3 170 B11R1.91 NC(=S)COC1=CC=CC=C1 9422AJ [0,0,0,0,0,1|1,0,1]=3 171 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,0,1,0,0,0|1,0,1]=4 172 B8R1.2 BrCC1=CC=NC=C1 Y7030 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 CSC1=NC=CC=C1 L314 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 N#CC1=CC=CC=C1 E085 [2,0,0,0,0,0|0,0,2]=4 176 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.2 NCC1=CN=CN=C1 W4845 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 NCC1=NC=CN=C1 W5959 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 NCC1=NC=NC=C1 9281AB [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 NNC1=CC=CN=C1 Z1664 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [1,1,0,0,0,0|0,0,0]=2 183 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [1,1,0,0,0,0|0,0,0]=2 184 B10R1.1 CCCC1=CN=C(Cl)N=C1 7472AD [1,1,0,0,0,0|2,0,0]=4 185 B10R1.1 CCOC1=CN=C(Br)C=C1 V5913 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [1,1,0,0,0,0|2,0,0]=4 187 B10R1.1 CCSC1=CC=C(Br)C=C1 9641AD [1,1,0,0,0,0|1,0,0]=3 188 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [1,1,0,0,0,0|1,0,0]=3 189 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [1,1,0,0,0,0|1,0,0]=3 190 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 N#CCC1=CC=C(I)C=C1 X2663 [1,1,0,0,0,0|0,0,2]=4 196 B10R1.1 N#CCC1=CC=C(N)C=C1 4180AB [1,1,0,0,0,0|0,0,2]=4 197 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [1,1,0,0,0,0|0,0,0]=2 198 B10R1.1 NNCC1=CC=C(Br)C=C1 3948AE [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 NNCC1=CC=C(F)C=C1 Z3849 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,1,0,0,0,0|1,0,0]=3 201 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [1,1,0,0,0,0|1,0,0]=3 205 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 OCCC1=NC=C(Br)C=C1 3590AA [1,1,0,0,0,0|2,0,0]=4 208 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.4 C=CCC1=C(C)C=CC=C1 7968AA [1,1,0,0,0,0|0,0,2]=4 210 B10R1.4 CC1=CC=CC=C1CCN S579 [1,1,0,0,0,0|0,0,0]=2 211 B10R1.4 CCCC1=CC=NC=C1C 1078AE [1,1,0,0,0,0|1,0,0]=3 212 B10R1.4 CCCC1=NC=CN=C1C 5716AL [1,1,0,0,0,0|2,0,0]=4 213 B10R1.4 CCNC1=CC=CC=C1F 8903AD [1,1,0,0,0,0|1,0,0]=3 214 B10R1.4 CCOC1=C(Br)C=CC=N1 8550AB [1,1,0,0,0,0|2,0,0]=4 215 B10R1.4 CCOC1=C(Cl)C=CC=C1 9221AB [1,1,0,0,0,0|1,0,0]=3 216 B10R1.4 CCOC1=C(I)C=CC=N1 9446AE [1,1,0,0,0,0|2,0,0]=4 217 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.4 CCOC1=C(N)C=NC=C1 W3561 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [1,1,0,0,0,0|2,0,0]=4 220 B10R1.4 CCOC1=CC=CC=C1F Z0605 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.4 CCOC1=CC=CC=C1N 8719AL [1,1,0,0,0,0|1,0,0]=3 222 B10R1.4 CNCC1=C(C)N=CC=C1 5583AJ [1,1,0,0,0,0|2,0,0]=4 223 B10R1.4 CNCC1=C(O)C=CC=C1 5657AL [1,1,0,0,0,0|1,0,0]=3 224 B10R1.4 CNCC1=CC=CC=C1F W6033 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.4 COCC1=C(O)C=CC=C1 5292AJ [1,1,0,0,0,0|1,0,0]=3 226 B10R1.4 COCC1=CC=CC=C1Br Z0660 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.4 ClC1=C(CCBr)C=CC=C1 8570AA [1,1,0,0,0,0|1,0,0]=3 228 B10R1.4 FC1=CC=CC=C1CCBr W9375 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.4 N#CCC1=C(N)C=CC=C1 5596AB [1,1,0,0,0,0|0,0,2]=4 230 B10R1.4 NCCC1=CC=CC=C1Br Z8825 [1,1,0,0,0,0|0,0,0]=2 231 B10R1.4 NCCC1=CC=CC=C1N X9142 [1,1,0,0,0,0|0,0,0]=2 232 B10R1.4 NNCC1=CC=CC=C1F 9039AF [1,1,0,0,0,0|1,0,0]=3 233 B10R1.10 BrCCC1=CC=CC(Br)=C1 1605AL [1,1,0,0,0,0|1,0,0]=3 234 B10R1.10 C=CCC1=CC(F)=CC=C1 9816AD [1,1,0,0,0,0|0,0,2]=4 235 B10R1.10 C=CCC1=CC=CC(Cl)=C1 2150AE [1,1,0,0,0,0|0,0,2]=4 236 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|0,0,0]=2 237 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [1,1,0,0,0,0|1,0,0]=3 238 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [1,1,0,0,0,0|1,0,0]=3 239 B10R1.10 CCNC1=CC=CC(O)=C1 9329AB [1,1,0,0,0,0|1,0,0]=3 240 B10R1.10 CCOC1=CC=CC(Br)=N1 Y5031 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.10 CCOC1=CN=CC(Br)=C1 Z0262 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.10 CCOC1=NC=CC(Br)=C1 Z0708 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.10 CCSC1=CC(Br)=CC=C1 V3919 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.10 CNCC1=CC(Br)=CN=C1 W8153 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.10 CNCC1=CC=CC(Br)=C1 7287AJ [1,1,0,0,0,0|1,0,0]=3 246 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [1,1,0,0,0,0|1,0,0]=3 247 B10R1.10 CNCC1=CC=CC(Cl)=C1 7403AJ [1,1,0,0,0,0|1,0,0]=3 248 B10R1.10 COCC1=CC(Br)=CC=C1 Z0210 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.10 COCC1=CC(N)=CC=C1 V6465 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.10 ClC1=CC(CCBr)=CC=C1 4892AJ [1,1,0,0,0,0|1,0,0]=3 251 B10R1.10 N#CCC1=CC(I)=CC=C1 5596AA [1,1,0,0,0,0|0,0,2]=4 252 B10R1.10 N#CCC1=CC=CC(N)=C1 Z4772 [1,1,0,0,0,0|0,0,2]=4 253 B10R1.10 NC1=CC(CCO)=CC=C1 7359AB [1,1,0,0,0,0|1,0,0]=3 254 B10R1.10 NCCC1=CC=CC(Br)=C1 V4368 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.10 NNCC1=CC(Cl)=CC=C1 7157AB [1,1,0,0,0,0|1,0,0]=3 256 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.10 NOCC1=CC=CC(F)=C1 7198AB [1,1,0,0,0,0|1,0,0]=3 258 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.10 OCCC1=CC=CC(Cl)=C1 X8323 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.10 OCCC1=NC(Br)=CC=C1 X5060 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [1,1,0,0,0,0|0,0,1]=3 262 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [1,1,0,0,0,0|0,0,0]=2 264 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [1,1,0,0,0,0|1,0,0]=3 268 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [1,1,0,0,0,0|1,0,0]=3 269 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [1,1,0,0,0,0|2,0,0]=4 271 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [1,1,0,0,0,0|1,0,0]=3 272 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,1,0,0,0,0|0,0,0]=2 273 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [1,1,0,0,0,0|2,0,0]=4 275 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [1,1,0,0,0,0|2,0,0]=4 276 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [1,1,0,0,0,0|2,0,0]=4 277 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [1,1,0,0,0,0|2,0,0]=4 278 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.15 NC(CO)C1=CC=CC=N1 1465AJ [1,1,0,0,0,0|2,0,0]=4 280 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,1,0,0,0,0|0,0,0]=2 281 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [1,1,0,0,0,0|1,0,0]=3 282 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [1,1,0,0,0,0|1,0,0]=3 283 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [1,1,0,0,0,0|1,0,0]=3 285 B10R1.17 C#CCOC1=CC=CC=C1 3952AD [1,1,0,0,0,0|0,0,2]=4 286 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [1,1,0,0,0,0|0,0,2]=4 287 B10R1.17 C=COCC1=CC=CC=C1 1335AL [1,1,0,0,0,0|0,0,2]=4 288 B10R1.17 CCOCC1=CC=CC=C1 S562 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.17 CNCCC1=CC=NC=C1 5553AE [1,1,0,0,0,0|1,0,0]=3 290 B10R1.17 COCSC1=CC=CC=C1 8208AL [1,1,0,0,0,0|1,0,0]=3 291 B10R1.17 ClCC#CC1=CC=CC=C1 U705 [1,1,0,0,0,0|0,0,2]=4 292 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [1,1,0,0,0,0|1,0,0]=3 293 B10R1.17 NCCCC1=CC=CN=C1 X2118 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.17 NCCCC1=CC=NC=C1 3209AB [1,1,0,0,0,0|1,0,0]=3 295 B10R1.17 NCCOC1=NC=CC=C1 W5199 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.17 NNCCC1=CC=CC=C1 4752AE [1,1,0,0,0,0|0,0,0]=2 297 B10R1.17 OCCNC1=CC=CC=C1 V7623 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 CC(Br)C1=CC=C(F)C=C1 9966AB [0,1,0,0,1,0|1,0,0]=3 299 B10R1.13 CC(C)C1=CC=C(N)C=N1 Z4708 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 Z2196 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.13 CC(N)C1=CC=C(Br)C=C1 V8869 [0,1,0,0,1,0|0,0,0]=2 302 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 V6495 [0,1,0,0,1,0|0,0,0]=2 303 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 Y9670 [0,1,0,0,1,0|0,0,0]=2 304 B10R1.13 CC(N)C1=CC=C(F)C=C1 V5775 [0,1,0,0,1,0|0,0,0]=2 305 B10R1.13 CC(O)C1=CC=C(O)C=C1 Z4466 [0,1,0,0,1,0|1,0,0]=3 306 B10R1.13 CC(O)C1=NC=C(Br)C=C1 8022AA [0,1,0,0,1,0|2,0,0]=4 307 B10R1.13 CC1=CC=C(C(=N)N)C=C1 2887AJ [0,1,0,0,1,0|1,0,1]=4 308 B10R1.13 CC1=CC=C(C(C)N)C=C1 8708AB [0,1,0,0,1,0|0,0,0]=2 309 B10R1.13 CC1=NC=C(C(C)O)C=C1 0117AA [0,1,0,0,1,0|2,0,0]=4 310 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 6145AJ [0,1,0,0,1,0|2,0,0]=4 311 B10R1.13 CN(C)C1=CC=C(F)C=C1 2692AE [0,1,0,0,1,0|2,0,0]=4 312 B10R1.13 CN(C)C1=CC=C(O)C=C1 Z4951 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 V9278 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.13 CS(=O)C1=CC=C(F)C=C1 7689AJ [0,1,0,0,1,0|2,0,0]=4 315 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 4787AJ [0,1,0,0,1,0|0,0,0]=2 316 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 X9175 [0,1,0,0,1,0|0,0,0]=2 317 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 W5396 [0,1,0,0,1,0|0,0,0]=2 318 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 1808AC [0,1,0,0,1,0|1,0,0]=3 319 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,1,0,0,1,0|1,0,0]=3 320 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 6983AC [0,1,0,0,1,0|1,0,0]=3 321 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 6544AL [0,1,0,0,1,0|2,0,0]=4 322 B10R1.13 FC(F)C1=CC=C(Br)C=C1 X0133 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 V6035 [0,1,0,0,1,0|2,0,0]=4 324 B10R1.13 FC1=CC=C(C(F)F)C=C1 8605AD [0,1,0,0,1,0|2,0,0]=4 325 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 1266AB [0,1,0,0,1,0|1,0,1]=4 326 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C099 [0,1,0,0,1,0|1,0,1]=4 327 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2845AJ [0,1,0,0,1,0|1,0,1]=4 328 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 V4765 [0,1,0,0,1,0|1,0,1]=4 329 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [0,1,0,0,1,0|1,0,0]=3 330 B10R1.28 CC(C)(O)C1=CC=CN=C1 Y7594 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.28 CC(C)(O)C1=NC=CC=C1 4873AB [0,1,0,0,1,0|2,0,0]=4 332 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 8822AL [0,1,0,0,1,0|2,0,0]=4 333 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 9417AF [0,1,0,0,1,0|1,1,0]=4 334 B10R1.61 CC(Cl)C1=CC=CC=C1Cl 0284AB [0,1,0,0,1,0|1,0,0]=3 335 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,1,0,0,1,0|0,0,0]=2 336 B10R1.61 CC(N)C1=CC=CC=C1Cl V8121 [0,1,0,0,1,0|0,0,0]=2 337 B10R1.61 CC(N)C1=CC=CC=C1Cl X6241 [0,1,0,0,1,0|0,0,0]=2 338 B10R1.61 CC(N)C1=CC=CC=C1F V7591 [0,1,0,0,1,0|0,0,0]=2 339 B10R1.61 CC(O)C1=C(Br)C=CC=C1 4894AJ [0,1,0,0,1,0|1,0,0]=3 340 B10R1.61 CC(O)C1=C(Cl)N=CC=C1 5872AA [0,1,0,0,1,0|2,0,0]=4 341 B10R1.61 CC(O)C1=CC=CC=C1F X8296 [0,1,0,0,1,0|1,0,0]=3 342 B10R1.61 CC(O)C1=CC=CC=C1N Z6783 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.61 CC1=CC=CC=C1C(=N)N 1807AJ [0,1,0,0,1,0|1,0,1]=4 344 B10R1.61 CC1=CC=CC=C1C(=N)N 5089AH [0,1,0,0,1,0|1,0,1]=4 345 B10R1.61 CN(C)C1=C(F)C=CC=C1 9536AF [0,1,0,0,1,0|2,0,0]=4 346 B10R1.61 CN(C)C1=CC=CC=C1O Z4668 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,1,0,0,1,0|0,0,0]=2 348 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl X9707 [0,1,0,0,1,0|0,0,0]=2 349 B10R1.61 C[C@@H](N)C1=CC=CC=C1O X9575 [0,1,0,0,1,0|0,0,0]=2 350 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 8241AA [0,1,0,0,1,0|1,0,0]=3 351 B10R1.61 FC(F)C1=CC=CC=C1Br V7943 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.61 FC1=CC=CC=C1C(Cl)Cl 3540AB [0,1,0,0,1,0|2,0,0]=4 353 B10R1.61 FC1=CC=CC=C1C(F)F 7228AE [0,1,0,0,1,0|2,0,0]=4 354 B10R1.61 N=C(N)C1=CC=CC=C1Br Y9512 [0,1,0,0,1,0|1,0,1]=4 355 B10R1.61 N=C(N)C1=CC=CC=C1Cl Y8078 [0,1,0,0,1,0|1,0,1]=4 356 B10R1.61 N=C(N)C1=CC=CC=C1F W7062 [0,1,0,0,1,0|1,0,1]=4 357 B10R1.61 NC(=S)C1=C(O)C=CC=C1 5069AH [0,1,0,0,1,0|1,0,1]=4 358 B10R1.61 NC(=S)C1=CC=CC=C1F I217 [0,1,0,0,1,0|1,0,1]=4 359 B10R1.113 CC(C)C1=CC=CC(Br)=N1 Z6690 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4929AJ [0,1,0,0,1,0|0,0,0]=2 361 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 V4629 [0,1,0,0,1,0|0,0,0]=2 362 B10R1.113 CC(N)C1=CC=CC(F)=C1 1626AC [0,1,0,0,1,0|0,0,0]=2 363 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 4933AJ [0,1,0,0,1,0|1,0,0]=3 364 B10R1.113 CC(O)C1=CC(F)=CC=C1 2665AE [0,1,0,0,1,0|1,0,0]=3 365 B10R1.113 CC(O)C1=CC(O)=CC=C1 4940AJ [0,1,0,0,1,0|1,0,0]=3 366 B10R1.113 CC(O)C1=CC=CC(N)=C1 W4803 [0,1,0,0,1,0|1,0,0]=3 367 B10R1.113 CC(O)C1=NC(Br)=CC=C1 Z4144 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.113 CC1=CC(C(C)N)=CC=C1 8402AE [0,1,0,0,1,0|0,0,0]=2 369 B10R1.113 CC1=CC(C(N)=O)=CC=C1 F917 [0,1,0,0,1,0|1,0,1]=4 370 B10R1.113 CC1=CC(N(C)N)=CC=C1 4897AL [0,1,0,0,1,0|1,0,0]=3 371 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 W3022 [0,1,0,0,1,0|0,0,0]=2 372 B10R1.113 CC1=CC=CC(C(=N)N)=C1 0599AB [0,1,0,0,1,0|1,0,1]=4 373 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,1,0,0,1,0|1,0,0]=3 374 B10R1.113 CN(C)C1=CC(F)=CC=C1 0769AB [0,1,0,0,1,0|2,0,0]=4 375 B10R1.113 CN(C)C1=CC=CC(Cl)=C1 0572AC [0,1,0,0,1,0|2,0,0]=4 376 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 6220AA [0,1,0,0,1,0|1,0,0]=3 377 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 6759AA [0,1,0,0,1,0|0,0,0]=2 378 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Z1666 [0,1,0,0,1,0|0,0,0]=2 379 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 X4842 [0,1,0,0,1,0|0,0,0]=2 380 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 6282AA [0,1,0,0,1,0|1,0,0]=3 381 B10R1.113 FC(F)C1=CC(Br)=CC=C1 W5231 [0,1,0,0,1,0|2,0,0]=4 382 B10R1.113 FC1=CC=CC(C(Cl)Cl)=C1 2666AE [0,1,0,0,1,0|2,0,0]=4 383 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 Y9632 [0,1,0,0,1,0|1,0,1]=4 384 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 V4474 [0,1,0,0,1,0|1,0,1]=4 385 B10R1.113 NC(=S)C1=CC=CC(F)=C1 V7493 [0,1,0,0,1,0|1,0,1]=4 386 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [0,1,0,0,1,0|1,0,1]=4 387 B10R1.113 NC1=CC=CC(C(F)F)=C1 4695AB [0,1,0,0,1,0|2,0,0]=4 388 B10R1.54 CC1=CC(CC(C)N)=NN1 7647AC [0,1,0,0,1,0|2,0,0]=4 389 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 0827AD [0,1,0,0,0,1|1,0,1]=4 390 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 5686AF [0,1,0,0,0,1|1,0,1]=4 391 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4819AE [0,1,0,0,0,1|1,0,0]=3 392 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 8511AE [0,1,0,0,0,1|1,0,0]=3 393 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 7823AC [0,1,0,0,0,1|1,0,1]=4 394 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 5530AH [0,1,0,0,0,1|2,0,0]=4 395 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 7680AH [0,1,0,0,0,1|1,0,1]=4 396 B12R1.27 NCC(O)COC1=CC=CC=C1 3219AE [0,1,0,0,0,1|1,0,0]=3 397 B12R1.27 NCC(O)COC1=CC=CC=C1 Z2335 [0,1,0,0,0,1|1,0,0]=3 398 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 2113AB [0,1,0,0,0,1|1,0,1]=4 399 B12R1.27 O=C(CO)OCC1=CC=CC=C1 3173AB [0,1,0,0,0,1|1,0,1]=4 400 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [0,1,0,0,0,1|1,0,1]=4 401 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 8092AL [0,1,0,0,0,1|1,0,1]=4 402 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 6370AD [0,1,0,0,0,1|2,0,0]=4 403 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 1968AL [0,1,0,0,0,1|1,0,1]=4 404 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 8476AC [0,1,0,0,0,1|1,0,1]=4 405 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 2907AH [0,1,0,0,0,1|1,0,1]=4 406 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 8629AB [0,1,0,0,0,1|1,0,0]=3 407 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 5910AJ [0,1,0,0,0,1|2,0,0]=4 408 B12R1.125 CC1=C(OCC(C)O)C=CC=C1 4280AL [0,1,0,0,0,1|1,0,0]=3 409 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 6057AE [0,1,0,0,0,1|1,0,1]=4 410 B12R1.125 NC(=S)COC1=C(Cl)C=CC=C1 1386AE [0,1,0,0,0,1|1,0,1]=4 411 B12R1.226 CC(C)CSC1=CC(Br)=CC=C1 Z8144 [0,1,0,0,0,1|1,0,0]=3 412 B12R1.226 CC1=CC=CC(OCC(C)O)=C1 4284AL [0,1,0,0,0,1|1,0,0]=3 413 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 6121AL [0,1,0,0,0,1|1,0,1]=4 414 B12R1.226 N=C(N)NCC1=CC=CC(I)=C1 8064AJ [0,1,0,0,0,1|1,0,1]=4 415 B12R1.226 NC(=O)COC1=CC=CC(Cl)=C1 1384AE [0,1,0,0,0,1|1,0,1]=4 416 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 8673AL [0,1,0,0,0,1|2,0,0]=4 417 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 4975AD [0,1,0,0,0,1|2,0,0]=4 418 B12R1.891 FC(F)(F)SCC1=CC=CC=C1 U740 [0,1,0,0,0,1|2,0,0]=4 419 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 Y8233 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 9119AB [0,2,0,0,0,0|1,0,1]=4 421 B12R1.19 CC(C)OC1=CC=C(Br)C(Cl)=C1 Z0496 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.19 CC(C)OC1=CC=C(Br)C(F)=C1 Y3572 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.20 CC(Br)C(=O)C1=CC=C(F)C=C1 V5340 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.20 CC(Cl)C(=O)C1=CC=C(F)C=C1 0025AF [0,2,0,0,0,0|1,0,1]=4 425 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 3569AL [0,2,0,0,0,0|1,0,1]=4 426 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 X5344 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 6147AJ [0,2,0,0,0,0|0,0,0]=2 428 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 W5702 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 5559AB [0,2,0,0,0,0|0,0,0]=2 430 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,2,0,0,0,0|0,0,0]=2 431 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O 3085AE [0,2,0,0,0,0|1,0,1]=4 432 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 F450 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.106 CC(C)(C)OC1=CC=C(N)C=C1 V6697 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.106 CC(C)(C)OC1=CC=C(O)C=C1 8269AD [0,2,0,0,0,0|2,0,0]=4 435 B12R1.106 FC(F)(F)CC1=CC=C(Br)C=C1 7819AA [0,2,0,0,0,0|2,0,0]=4 436 B12R1.106 FC1=CC=C(CC(F)(F)F)C=C1 4463AE [0,2,0,0,0,0|2,0,0]=4 437 B12R1.233 CC(C)OC1=CC=C(Br)C=C1F Z0350 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.233 CC(C)OC1=CC=C(F)C=C1Br Z0349 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 1832AB [0,2,0,0,0,0|1,0,1]=4 440 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 2922AC [0,2,0,0,0,0|1,0,1]=4 441 B12R1.225 C[C@H](C1=CC(O)=CC=C1)N(C)C 3159AC [0,2,0,0,0,0|2,0,0]=4 442 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 E767 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 W7376 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 7200AB [0,2,0,0,0,0|2,0,0]=4 445 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F Y7467 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F 9346AB [0,2,0,0,0,0|2,0,0]=4 447 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 0867AE [0,2,0,0,0,0|2,0,0]=4 448 B12R1.32 C#CCN(C)CC1=CC=CC=C1 V1637 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.32 CCCC(=O)CC1=CC=CC=C1 U242 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,2,0,0,0,0|1,0,0]=3 451 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 7522AB [0,2,0,0,0,0|1,0,1]=4 452 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 W3284 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 Z4831 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 3046AC [0,2,0,0,0,0|0,0,0]=2 455 B12R1.118 N#CC(CO)CC1=CC=CC=C1 5460AJ [0,2,0,0,0,0|0,0,1]=3 456 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 5701AL [0,2,0,0,0,0|1,0,0]=3 457 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 2001AF [0,2,0,0,0,0|1,0,0]=3 458 B12R1.371 CNC(C)CC1=NC=CC=C1C 3717AF [0,2,0,0,0,0|1,0,0]=3 459 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,2,0,0,0,0|1,0,1]=4 460 B12R1.371 COC(=O)CC1=CC=CC=C1N W5714 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.75 COC1=CC=CC=C1CC(C)O Y7646 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.127 CC(C)OC1=CC(Br)=CC=C1Cl Z0747 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.127 CC(C)OC1=CC(F)=CC=C1N V3404 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.127 CC(C)OC1=CC(F)=CC=C1N W5879 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.127 CN(C)CC1=CC(O)=CC=C1Br Y4219 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.151 FC(F)(F)CC1=C(Br)C=CC=C1 7684AC [0,2,0,0,0,0|2,0,0]=4 467 B12R1.1009 CC(=O)CC1=C(Cl)C=CC=C1Cl 5415AL [0,2,0,0,0,0|1,0,1]=4 468 B12R1.1009 CC(C)OC1=C(F)C=CC=C1Br Z0052 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 Y3660 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.119 FC(F)(F)CC1=CC(Br)=CC=C1 8332AA [0,2,0,0,0,0|2,0,0]=4 471 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 7392AE [0,2,0,0,0,0|1,0,1]=4 472 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 9530AD [0,2,0,0,0,0|1,0,1]=4 473 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 1466AE [0,2,0,0,0,0|1,0,1]=4 474 B10R2.6 C1=CC=C(C2CC2)C=C1 V8423 [1,0,0,1,0,0|0,0,0]=2 475 B10R2.7 C1=CC2=C(C=C1)COC2 6725AB [1,0,0,1,0,0|1,0,0]=3 476 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [1,0,0,1,0,0|2,0,0]=4 477 B10R2.7 C1=CC2=C(C=N1)CNC2 X6082 [1,0,0,1,0,0|2,0,0]=4 478 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [1,0,0,1,0,0|1,0,0]=3 479 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 7465AB [0,0,0,1,0,1|1,0,1]=4 480 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [0,0,0,1,0,1|1,0,0]=3 481 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,1|0,0,0]=2 482 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,0,0,1,0,1|0,0,0]=2 483 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,0,1|1,0,1]=4 484 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,0,0,1,0,1|1,0,0]=3 485 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [0,0,0,1,0,1|1,0,0]=3 486 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 2275AL [0,0,0,1,0,1|1,0,0]=3 487 B12R2.294 IC1=CC=C(OC2CC2)C=C1 4594AA [0,1,0,1,0,0|2,0,0]=4 488 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 Z4943 [0,1,0,1,0,0|0,0,2]=4 489 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 Y9616 [0,1,0,1,0,0|0,0,2]=4 490 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 7904AB [0,1,0,1,0,0|0,0,2]=4 491 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 W7006 [0,1,0,1,0,0|1,0,1]=4 492 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 W5647 [0,1,0,1,0,0|1,0,1]=4 493 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 Z4093 [0,1,0,1,0,0|0,0,2]=4 494 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 Z7916 [0,1,0,1,0,0|1,0,1]=4 495 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 5686AB [0,1,0,1,0,0|1,0,1]=4 496 B12R2.606 CC1=NC2=CC(N)=CC=C2N1 W5166 [0,1,0,1,0,0|1,0,1]=4 497 B12R2.606 CC1=NC2=CC(N)=CC=C2N1 Z4219 [0,1,0,1,0,0|1,0,1]=4 498 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 2765AC [0,1,0,1,0,0|0,0,0]=2 499 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 Z4195 [0,1,0,1,0,0|1,0,1]=4 500 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 3183AJ [0,1,0,1,0,0|1,0,1]=4 501 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 Y9822 [0,1,0,1,0,0|1,0,1]=4 502 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 3344AH [0,1,0,1,0,0|1,0,1]=4 503 B12R2.606 OC1CC2=C(C=C(Br)C=C2)C1 W8856 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.18 CC1=NC2=CC=CC=C2N1C V4924 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.18 CC1CC2=C(C=CC=C2)C1=O 9059AA [0,1,0,1,0,0|1,0,0]=3 506 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [0,1,0,1,0,0|0,0,0]=2 507 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 1660AL [0,1,0,1,0,0|1,0,1]=4 508 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9916AH [0,1,0,1,0,0|0,0,2]=4 509 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,1,0,1,0,0|1,0,1]=4 510 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,1,0,1,0,0|1,0,0]=3 511 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 9149AE [0,1,0,1,0,0|1,0,0]=3 512 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O 4008AL [0,1,0,1,0,0|1,0,0]=3 513 B12R2.18 OC1C2=C(C=CC=C2)CC1Br 7739AB [0,1,0,1,0,0|1,0,0]=3 514 B12R2.18 OC1CC2=C(C=CC=C2)C1O 4451AL [0,1,0,1,0,0|1,0,0]=3 515 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 5276AB [0,1,0,1,0,0|1,0,0]=3 516 B12R2.2075 NC(C1=CC=CN=C1)C2CC2 6582AJ [0,1,0,1,0,0|2,0,0]=4 517 B12R2.2075 NC(C1=CC=NC=C1)C2CC2 5116AJ [0,1,0,1,0,0|2,0,0]=4 518 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.32 CNC1=NC2=CC=CC=C2N1 Z4283 [0,1,0,1,0,0|1,0,1]=4 520 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 6502AH [0,1,0,1,0,0|0,0,2]=4 521 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 W4407 [0,1,0,1,0,0|0,0,2]=4 522 B12R2.32 NCC1=NC2=CC=CC=C2N1 W7132 [0,1,0,1,0,0|1,0,1]=4 523 B12R2.32 NCC1=NC2=CC=CC=C2N1 X5544 [0,1,0,1,0,0|1,0,1]=4 524 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 W4805 [0,1,0,1,0,0|0,0,2]=4 525 B12R2.32 OCC1CC2=CC=CC=C2O1 W7718 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 L283 [0,1,0,1,0,0|0,0,2]=4 527 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 9499AD [0,1,0,1,0,0|1,0,0]=3 528 B12R2.95 CC1(C)OC2=CC=CC=C2O1 Z4148 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 1784AJ [0,1,0,1,0,0|0,0,0]=2 530 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 4035AC [0,1,0,1,0,0|1,0,1]=4 531 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B859 [0,1,0,1,0,0|1,0,1]=4 532 B12R2.202 CC1=NC2=C(Cl)C=CC=C2N1 V6619 [0,1,0,1,0,0|1,0,1]=4 533 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 W4375 [0,1,0,1,0,0|1,0,1]=4 534 B12R2.202 O=C1CC2=C(N1)C(Cl)=CC=C2 X3054 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 X0306 [0,1,0,1,0,0|1,0,1]=4 536 B12R2.225 BrC1=CC=CC=C1OC2CC2 Y8944 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.8 CCCC1=NC=CS1 9241AA [1,0,0,0,1,0|2,0,0]=4 538 B8R1.8 CCCN1C=CC=N1 Z0507 [1,0,0,0,1,0|2,0,0]=4 539 B8R1.8 CNCC1=CC=CS1 V7562 [1,0,0,0,1,0|2,0,0]=4 540 B8R1.8 CNCC1=CC=CS1 W7142 [1,0,0,0,1,0|2,0,0]=4 541 B8R1.8 CSCC1=CC=CO1 9711AJ [1,0,0,0,1,0|2,0,0]=4 542 B8R1.8 NCCC1=CN=CN1 Y9749 [1,0,0,0,1,0|2,0,0]=4 543 B8R1.8 NCCC1=CSC=C1 Y8818 [1,0,0,0,1,0|1,0,0]=3 544 B8R1.8 NCCC1=NC=CS1 Y1661 [1,0,0,0,1,0|2,0,0]=4 545 B8R1.8 NCCC1=NC=CS1 Y8064 [1,0,0,0,1,0|2,0,0]=4 546 B8R1.8 NCCN1C=CN=C1 V2457 [1,0,0,0,1,0|2,0,0]=4 547 B8R1.7 CC(C)=C1C=CC=C1 1050AB [0,0,0,0,2,0|1,0,1]=4 548 B8R1.7 CC(C)C1=CC=CO1 U090 [0,0,0,0,2,0|2,0,0]=4 549 B8R1.7 CC(N)C1=COC=C1 2007AB [0,0,0,0,2,0|1,0,0]=3 550 B8R1.7 CC(N)C1=NC=CS1 V9472 [0,0,0,0,2,0|2,0,0]=4 551 B8R1.7 CC(N)C1=NC=CS1 W6267 [0,0,0,0,2,0|2,0,0]=4 552 B12R1.252 CC(=O)COCC1=CC=CC=C1 1360AB [0,0,0,0,0,2|1,0,1]=4 553 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,0,0,0,0,2|1,0,0]=3 554 B12R1.252 CN(C)CCOC1=CC=CC=C1 X9881 [0,0,0,0,0,2|2,0,0]=4 555 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 X5394 [0,0,0,0,0,2|1,0,0]=3