0 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 COCOC1=CN=CC=C1 AC080496 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [1,0,0,0,0,0|1,0,0]=2 20 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [0,1,0,0,0,0|1,0,0]=2 23 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 AC181635 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 HY-B0769 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 HY-B0471 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC021703 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 AC021707 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.107 NC(CC(O)=O)C1=CC=CC=C1 AC180223 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 AC181187 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.2 C1CC(CN1)C2=CC=CC=C2 AC181320 [0,0,0,1,0,0|0,0,0]=1 32 B12R2.2 C1CC(CN1)C2=NC=CC=C2 AC020264 [0,0,0,1,0,0|1,0,0]=2 33 B12R2.2 C1CNC(C1)C2=CC=CN=C2 AC180329 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.2 C1CNC(C1)C2=CC=NC=C2 AC181354 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.116 NC1(CCC1)C2=CC=CC=C2 AC051111 [0,0,0,1,0,0|2,0,0]=3 36 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [0,0,0,1,0,0|0,0,0]=1 38 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [0,0,0,1,0,0|0,0,0]=1 39 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [0,0,0,1,0,0|2,0,0]=3 40 B12R2.1081 N=C1CCCC2=C1C=CC=C2 AC020396 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC051203 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC020125 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC170078 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 AC020124 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC182356 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC220096 [0,0,0,1,0,0|2,0,1]=4 47 B12R2.1081 O=C1COCC2=C1C=CC=C2 AC182447 [0,0,0,1,0,0|2,0,1]=4 48 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [0,0,0,1,0,0|2,0,0]=3 49 B12R2.1081 OC1CCCC2=C1N=CC=C2 AC182113 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AC182462 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 AC040203 [0,0,0,1,0,0|2,0,1]=4 52 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091 [0,0,0,0,0,1|2,0,1]=4 53 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091A [0,0,0,0,0,1|2,0,1]=4 54 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 CNCC1=CC=CC=C1 AC500163 [2,0,0,0,0,0|0,0,0]=2 66 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.8 NCCC1=CC=CN=C1 AC500060 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.8 NNCC1=CC=CC=C1 AC500254 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.8 OCCC1=CC=NC=C1 AC511725 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 ONCC1=CC=CC=C1 AC180467 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.7 CC(C)(C#C)C1=CC=CC=C1 AC020776 [1,1,0,0,0,0|0,0,2]=4 72 B11R1.7 CC(C)(CN)C1=CC=CC=C1 AC050458 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.7 NCC(F)(F)C1=NC=CC=C1 AC020049 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.12 OCC(CO)C1=CC=CC=C1 AC511844 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.22 C1=C(C=CC(=C1)Cl)[C@@H](CO)N LN02185263 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.22 C1=C(C=CC(=C1)F)[C@H](CO)N LN01359282 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [1,1,0,0,0,0|1,0,0]=3 82 B11R1.23 C1=CC(=CC(=C1)Br)[C@@H](CO)N LN02151667 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 AC021444 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AC020507 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AC020501 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.222 C1=CC=C(C(=C1)[C@@H](CO)N)Cl LN02026918 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.1 C(CC1=CC=C(C=C1)Br)CO LN00159728 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.1 OCCCC1=CC=C(Br)C=C1 AC020478 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.24 BrC1=CC=CC(CCC=O)=C1 AC020270 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.24 CC1=CC(CCCO)=CC=C1 AC021440 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AC100073 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.28 BrCCOCC1=CC=CC=C1 AC500208 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.28 C1=CC=C(C=C1)COCCBr LN00010106 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.28 C1=CC=C(C=C1)COCCN LN02222953 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.28 NCCOCC1=CC=CC=C1 AC181970 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.28 OCCOCC1=CC=CC=C1 AC511762 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.91 CC(O)COC1=CC=CC=C1 AC130345 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.29 CNCC[C@@H](C1=CC=CS1)O LN00173268 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.29 CNCC[C@H](O)C1=CC=CS1 AC021696 [0,1,0,0,1,0|2,0,0]=4 112 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HY-B1308 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 HY-B0447 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HY-B0447A [0,2,0,0,0,0|1,0,0]=3 115 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HY-B0447B [0,2,0,0,0,0|1,0,0]=3 116 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 AC020514 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 AC512019 [0,2,0,0,0,0|1,0,1]=4 118 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [1,0,0,1,0,0|0,0,2]=4 119 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [1,0,0,1,0,0|1,0,0]=3 120 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [1,0,0,1,0,0|1,0,1]=4 121 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [1,0,0,1,0,0|1,0,1]=4 122 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [1,0,0,1,0,0|0,0,0]=2 124 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [1,0,0,1,0,0|0,0,0]=2 125 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC020065 [1,0,0,1,0,0|1,0,0]=3 126 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC050542 [1,0,0,1,0,0|1,0,0]=3 127 B11R2.20 C1CC2=C(C=C1)C=CC=C2 AC220111 [1,0,0,1,0,0|1,0,1]=4 128 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [1,0,0,1,0,0|0,0,0]=2 129 B11R2.20 C1CC2=C(CN1)C=CC=N2 AC050259 [1,0,0,1,0,0|1,0,0]=3 130 B11R2.20 C1CC2=C(CN1)C=NC=N2 AC182554 [1,0,0,1,0,0|2,0,0]=4 131 B11R2.20 C1CC2=C(CN1)N=CC=C2 AC050313 [1,0,0,1,0,0|1,0,0]=3 132 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [1,0,0,1,0,0|1,0,0]=3 133 B11R2.20 C1CC2=CC=NC=C2CN1 AC050321 [1,0,0,1,0,0|1,0,0]=3 134 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [1,0,0,1,0,0|2,0,0]=4 135 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [1,0,0,1,0,0|2,0,0]=4 136 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 AC200140 [0,0,0,1,0,1|2,0,0]=4 137 B13R2.3 C1CC(CCN1)C2=CC=CC=C2 AC160005 [0,1,0,1,0,0|0,0,0]=2 138 B13R2.3 C1CC(CCN1)C2=CC=CC=C2 AC180123 [0,1,0,1,0,0|0,0,0]=2 139 B13R2.3 C1CN(CCN1)C2=NC=CC=C2 AC180140 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.2539 N#CC1(CCC1)C2=CC=CC=C2 AC180343 [0,1,0,1,0,0|1,0,1]=4 141 B13R2.12 BrC1=CC=C(C=C1)N2CCCC2 AC181778 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.12 BrC1=CC=C(C=C1)[C@H]2CCCN2 AC050923 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.2986 NC1(CCC1)C2=CC=C(Br)C=C2 AC051099 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 AC220095 [0,1,0,1,0,0|1,0,1]=4 145 B13R2.5252 O=C1CCNCC2=CC=CC=C12 AC010008 [0,1,0,1,0,0|1,0,1]=4 146 B13R2.3085 CN1C2=CC=CC=C2C(C)=C1I AC060055 [0,1,0,1,0,0|0,0,2]=4