0 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 NNC(=O)CC1=CC=NC=C1 AC190156 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 COCOC1=CN=CC=C1 AC080496 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [1,0,0,0,0,0|1,0,1]=3 18 B12R1.32 CCOC(=O)CC1=CC=CC=C1 AC500159 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091A [0,1,0,0,0,0|2,0,1]=4 21 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC021703 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.43 NC(CC1=CC=CC=C1)C(O)=O AC500212 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O AC510918 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HY-N0215 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.43 O[C@@H](CC1=CC=CC=C1)C(O)=O AC511592 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AC021290 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC130035 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC511588 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 AC512142 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.118 OCC(CO)CC1=CC=CC=C1 AC021392 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HY-B0938 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AC500125 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.18 CC1=CC2=CC=CC=C2N1C LN00009059 [0,0,0,1,0,0|0,0,2]=3 34 B12R2.18 CN1C2=CC=CC=C2N=C1O LN00248545 [0,0,0,1,0,0|2,0,1]=4 35 B12R2.18 N[C@@H]1[C@H](O)CC2=C1C=CC=C2 AC180902 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.24 NC1CSC2=CC=CC=C2C1 AC320002 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 N[C@@H]1COC2=C(C1)C=CC=C2 AC182794 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 AC160458 [0,0,0,1,0,0|2,0,1]=4 40 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,0,0,1,0,0|2,0,0]=3 41 B12R2.32 C#CC1CC2=CC=CC=C2C1 AC020195 [0,0,0,1,0,0|1,0,1]=3 42 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,0,0,0,1,0|2,0,0]=3 45 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,0,0,0,1,0|2,0,0]=3 46 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,0,0,0,1,0|3,0,0]=4 49 B12R1.27 CC(CO)NCC1=CC=CC=C1 AC030107 [0,0,0,0,0,1|2,0,0]=3 50 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC511452 [0,0,0,0,0,1|2,0,1]=4 51 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 CNCC1=CC=CC=C1 AC500163 [2,0,0,0,0,0|0,0,0]=2 53 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.8 NCCC1=CC=CN=C1 AC500060 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 NNCC1=CC=CC=C1 AC500254 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.8 OCCC1=CC=NC=C1 AC511725 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 ONCC1=CC=CC=C1 AC180467 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.1 C(CC1=CC=C(C=C1)Br)CO LN00159728 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.1 OCCCC1=CC=C(Br)C=C1 AC020478 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.24 BrC1=CC=CC(CCC=O)=C1 AC020270 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.24 CC1=CC(CCCO)=CC=C1 AC021440 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AC100073 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.28 BrCCOCC1=CC=CC=C1 AC500208 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.28 C1=CC=C(C=C1)COCCBr LN00010106 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.28 C1=CC=C(C=C1)COCCN LN02222953 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.28 NCCOCC1=CC=CC=C1 AC181970 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.28 OCCOCC1=CC=CC=C1 AC511762 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.91 CC(O)COC1=CC=CC=C1 AC130345 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AC180404 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.86 C1=CC=C(C(=C1)CC(=N)N)Cl LN00242261 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.86 CC(C)OC1=CC=CC=C1N AC180979 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC020586 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.157 CC(C)OC1=CC(Br)=CC=C1 AC021391 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AC130139 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.7 CC(C)(C#C)C1=CC=CC=C1 AC020776 [0,1,0,0,1,0|1,0,1]=4 85 B11R1.7 CC(C)(CN)C1=CC=CC=C1 AC050458 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.12 OCC(CO)C1=CC=CC=C1 AC511844 [0,1,0,0,1,0|2,0,0]=4 87 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [0,1,0,0,1,0|1,0,1]=4 88 B13R1.351 CC(OCC1=CC=CC=C1)C(O)=O AC020861 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(O)=O AC020800 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 AC020514 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(O)=O AC100118 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.275 CC[N+](C)(C)CC1=CC=CC=C1Br HY-12961A [0,2,0,0,0,0|2,0,0]=4 93 B13R1.91 CNC(C)CC1=CC=CC=C1OC HY-B1694A [0,2,0,0,0,0|0,0,0]=2 94 B11R2.1 CN1C=CC2=C1C=CC=C2 AC510426 [1,0,0,1,0,0|0,0,2]=4 95 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [1,0,0,1,0,0|2,0,0]=4 96 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [1,0,0,1,0,0|2,0,0]=4 97 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [1,0,0,1,0,0|2,0,0]=4 98 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.20 C1CC2=C(C=C1)C=CC=C2 AC220111 [1,0,0,1,0,0|1,0,1]=4 100 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [1,0,0,1,0,0|0,0,0]=2 101 B11R2.20 C1CC2=C(CN1)C=CC=N2 AC050259 [1,0,0,1,0,0|1,0,0]=3 102 B11R2.20 C1CC2=C(CN1)C=NC=N2 AC182554 [1,0,0,1,0,0|2,0,0]=4 103 B11R2.20 C1CC2=C(CN1)N=CC=C2 AC050313 [1,0,0,1,0,0|1,0,0]=3 104 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [1,0,0,1,0,0|1,0,0]=3 105 B11R2.20 C1CC2=CC=NC=C2CN1 AC050321 [1,0,0,1,0,0|1,0,0]=3 106 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [1,0,0,1,0,0|2,0,0]=4 108 B11R2.10 C1=CC=C2CC(CC2=C1)N LN00008840 [1,0,0,1,0,0|0,0,0]=2 109 B11R2.10 CC1=CC2=C(N1)C=CC=C2 AC511008 [1,0,0,1,0,0|0,0,2]=4 110 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [1,0,0,1,0,0|1,0,1]=4 111 B11R2.10 OC1CC2=C(C1)C=CC=C2 AC511852 [1,0,0,1,0,0|1,0,0]=3 112 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC020065 [0,0,0,1,1,0|2,0,0]=4 113 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC050542 [0,0,0,1,1,0|2,0,0]=4 114 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AC220107 [0,0,0,1,0,1|2,0,0]=4 115 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 AC181148 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.64 C(C1=NCCN1)C2=CC=CC=C2 HY-A0066 [0,1,0,1,0,0|0,0,1]=3 117 B13R2.64 C(C1=NCCN1)C2=CC=CC=C2 HY-A0066A [0,1,0,1,0,0|0,0,1]=3 118 B13R2.163 O=C1CC2=CC=CC=C2CCN1 AC040215 [0,1,0,1,0,0|1,0,1]=4 119 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 AC200140 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [1,0,0,0,1,0|0,0,2]=4 121 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [1,0,0,0,1,0|1,0,0]=3 123 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [1,0,0,0,1,0|1,0,0]=3 124 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [1,0,0,0,1,0|1,0,0]=3 127 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [1,0,0,0,1,0|1,0,0]=3 128 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [1,0,0,0,1,0|1,0,0]=3 129 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [1,0,0,0,1,0|1,0,1]=4