0 B8R1.8 CCOC1=NC=CS1 LT1725 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CNCC1=CC=NO1 YH59432 [0,0,0,0,0,0|3,1,0]=4 2 B8R1.8 CNCC1=NC=CS1 YH34770 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CSCC1=CC=CO1 LT5048 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.8 ClCCC1=CNC=N1 YH65151 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 N#CCC1=CC=CS1 LT2195 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.8 N#CCC1=CC=NO1 RT9281 [0,0,0,0,0,0|1,1,2]=4 7 B8R1.8 N#CCC1=CSC=C1 LT0742 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 N#CCC1=NC=CO1 RT9280 [0,0,0,0,0,0|1,1,2]=4 9 B8R1.8 NCCC1=CC=NN1 RT1410 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCC1=CNC=N1 HL1018 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=CNC=N1 LQ0056 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCN1C=CN=C1 XJ2978 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 NCCN1C=NC=N1 YH65833 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 O=C=NC1=CC=CS1 HL2074 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.8 O=C=NC1=NC=CS1 XJ6203 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.8 OCCC1=CC=CS1 LT0210 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.8 OCCC1=CNC=N1 XJ1421 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 O\N=C\C1=CC=CS1 XJ4987 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.1 BrCC1=CSC=N1 YH05414 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 BrCC1=NC=CN1 RT8753 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 CCC1=CC=CS1 XJ1420 [1,0,0,0,0,0|0,0,0]=1 22 B7R1.1 CCC1=NC=CN1 LT6532 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 CCN1C=NC=N1 JZ5098 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 COC1=CC=CO1 XJ4809 [1,0,0,0,0,0|1,1,0]=3 25 B7R1.1 COC1=NC=CS1 JZ1049 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 CSC1=NC=CS1 JZ0965 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 ClCC1=CC=CS1 LT1710 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.1 ClCC1=NC=CO1 YH65723 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.1 N#CC1=CC=CS1 HL0573 [1,0,0,0,0,0|0,0,2]=3 30 B7R1.1 NCC1=CC=CO1 RT4371 [1,0,0,0,0,0|0,1,0]=2 31 B7R1.1 NCC1=CC=CS1 LT5820 [1,0,0,0,0,0|0,0,0]=1 32 B7R1.1 NCC1=CSC=C1 YH51468 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 NCC1=NC=CO1 YH92552 [1,0,0,0,0,0|1,1,0]=3 34 B7R1.1 NCC1=NC=NN1 YH08493 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 O=CC1=CC=CN1 HL3957 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 O=CC1=CC=CN1 RT5965 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 O=CC1=CC=CS1 LT6658 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.1 O=CC1=CC=NS1 YH05211 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 OCC1=CC=CN1 RT14126 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.1 OCC1=CC=CO1 XJ0217 [1,0,0,0,0,0|1,1,0]=3 41 B7R1.1 OCC1=CN=CS1 LT6037 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 OCC1=CNC=C1 RT14164 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 OCC1=CNC=N1 LT5215 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 OCC1=CNC=N1 LT6077 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 OCC1=CSC=C1 LT2643 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 OCC1=NC=CN1 YH57629 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 OCC1=NC=CS1 LQ3757 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 OCC1=NNC=C1 JZ5592 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 SCC1=CC=CO1 LL2412 [1,0,0,0,0,0|1,1,0]=3 50 B9R1.7 CCCC1=CC(N)=NN1 LQ5499 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.7 O=C=NC1=CC=C(Cl)S1 RT12094 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [0,1,0,0,0,0|1,1,1]=4 54 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [0,1,0,0,0,0|1,0,1]=3 55 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.11 CCC(C)C1=NC=CS1 XJ4408 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.11 CNC(C)C1=CC=CS1 HL3673 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.11 N=C(NO)C1=CC=CS1 LT0733 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 NNC(=O)C1=CC=CO1 XJ2474 [0,1,0,0,0,0|1,1,1]=4 60 B9R1.11 NNC(=O)C1=CC=CS1 LQ2134 [0,1,0,0,0,0|1,0,1]=3 61 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.12 BrCCCN1C=CC=C1 YH20609 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.12 CCCCC1=CSC=C1 CJ2145 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.12 CCCCC1=NC=CN1 YH04182 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.12 CNCCC1=CNC=N1 HL0326 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.12 CSSCC1=CC=CO1 XJ5836 [0,1,0,0,0,0|2,1,0]=4 67 B9R1.12 N#CCCN1C=CC=C1 LQ5106 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.12 NCCCN1C=CN=C1 HL2858 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.12 O=CSCC1=CC=CO1 LT5479 [0,1,0,0,0,0|1,1,1]=4 70 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.13 CC(C)CC1=NC=CS1 JZ1045 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [0,1,0,0,0,0|0,0,1]=2 73 B9R1.13 O=C(Cl)CC1=CC=CS1 LT0592 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.13 O=C(Cl)CC1=CC=CS1 LT5114 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.33 CC1=C(CCCl)SC=N1 RT10340 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.33 CC1=C(CCO)SC=N1 RT17443 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.33 CN1C=NC=C1CCN RT4531 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.33 NC1=CC=NN1CCO YH65891 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.1 C=CCSSCCC LT3401 [0,0,1,0,0,0|2,0,1]=4 81 B7R0.1 CC\C=C\C=C\C=O LQ2607 [0,0,1,0,0,0|1,1,1]=4 82 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [0,0,0,0,0,1|2,0,0]=3 83 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [0,0,0,0,0,1|2,0,0]=3 84 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [0,0,0,0,0,1|2,0,0]=3 85 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [0,0,0,0,0,1|2,0,0]=3 86 B9R1.8 CCCC1=CC=NC=C1 LT3807 [0,0,0,0,0,1|2,0,0]=3 87 B9R1.8 CCOC1=NC=CC=C1 LT1993 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.8 CNCC1=CC=CC=C1 RT3204 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.8 COCC1=CC=CN=C1 LQ5401 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.8 COCC1=NC=CN=C1 LT2349 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [0,0,0,0,0,1|2,0,0]=3 94 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [0,0,0,0,0,1|2,0,0]=3 95 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [0,0,0,0,0,1|2,0,0]=3 96 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [0,0,0,0,0,1|1,0,2]=4 97 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [0,0,0,0,0,1|1,0,2]=4 98 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [0,0,0,0,0,1|1,0,0]=2 99 B9R1.8 NCCC1=CC=NC=C1 YH11719 [0,0,0,0,0,1|1,0,0]=2 100 B9R1.8 NCCC1=CCCCC1 HL2542 [0,0,0,0,0,1|1,0,2]=4 101 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [0,0,0,0,0,1|2,0,0]=3 102 B9R1.8 NNCC1=CC=CC=C1 LX3048 [0,0,0,0,0,1|2,0,0]=3 103 B9R1.8 NOCC1=CC=CC=C1 LT5864 [0,0,0,0,0,1|2,0,0]=3 104 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [0,0,0,0,0,1|2,0,1]=4 105 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [0,0,0,0,0,1|2,0,1]=4 106 B9R1.8 OCCC1=CC=CC=C1 YH43593 [0,0,0,0,0,1|2,0,0]=3 107 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [0,0,0,0,0,1|2,0,0]=3 108 B9R1.8 SCCC1=CC=NC=C1 RT10479 [0,0,0,0,0,1|2,0,0]=3 109 B9R1.8 SCCC1=NC=CC=C1 RT10478 [0,0,0,0,0,1|2,0,0]=3 110 B6R0.6 C=CCSSCC LT5765 [1,0,1,0,0,0|1,0,1]=4 111 B6R0.6 CCC\C=C\C=O LQ3146 [1,0,1,0,0,0|0,1,1]=4 112 B6R0.6 C\C=C\SCCC YH55419 [1,0,1,0,0,0|0,0,2]=4 113 B6R0.1 C=COC(=O)CC XJ0313 [1,0,1,0,0,0|1,1,0]=4 114 B6R0.1 CCC(=O)\C=C\Cl RT1219 [1,0,1,0,0,0|1,1,0]=4 115 B6R1.2 BrC1=CC=CO1 XJ1019 [2,0,0,0,0,0|1,1,0]=4 116 B6R1.2 BrC1=CC=CS1 LT0578 [2,0,0,0,0,0|1,0,0]=3 117 B6R1.2 BrC1=CC=NS1 YH06358 [2,0,0,0,0,0|2,0,0]=4 118 B6R1.2 BrC1=CN=CS1 HL2419 [2,0,0,0,0,0|2,0,0]=4 119 B6R1.2 BrC1=NC=CS1 HL2418 [2,0,0,0,0,0|2,0,0]=4 120 B6R1.2 CC1=CC=CC1 LQ4531 [2,0,0,0,0,0|1,0,0]=3 121 B6R1.2 CC1=CC=CO1 RT14148 [2,0,0,0,0,0|0,1,0]=3 122 B6R1.2 CC1=CC=CS1 HL0035 [2,0,0,0,0,0|0,0,0]=2 123 B6R1.2 CC1=CC=NO1 XJ2996 [2,0,0,0,0,0|1,1,0]=4 124 B6R1.2 CC1=CN=CS1 JZ2359 [2,0,0,0,0,0|1,0,0]=3 125 B6R1.2 CC1=CNC=C1 YH10214 [2,0,0,0,0,0|2,0,0]=4 126 B6R1.2 CC1=CNC=N1 RT8712 [2,0,0,0,0,0|2,0,0]=4 127 B6R1.2 CC1=COC=C1 LQ1543 [2,0,0,0,0,0|2,0,0]=4 128 B6R1.2 CC1=CSC=C1 LT0736 [2,0,0,0,0,0|2,0,0]=4 129 B6R1.2 CC1=CSC=C1 LT6829 [2,0,0,0,0,0|2,0,0]=4 130 B6R1.2 CC1=CSC=N1 JZ1146 [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 CC1=NC=CN1 RT6736 [2,0,0,0,0,0|2,0,0]=4 132 B6R1.2 CC1=NC=CS1 LT1779 [2,0,0,0,0,0|1,0,0]=3 133 B6R1.2 CN1C=CC=N1 LQ1547 [2,0,0,0,0,0|2,0,0]=4 134 B6R1.2 ClC1=CC=CS1 LL0241 [2,0,0,0,0,0|1,0,0]=3 135 B6R1.2 ClC1=NC=CS1 YH39640 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.2 FC1=CC=CS1 YH59293 [2,0,0,0,0,0|1,0,0]=3 137 B6R1.2 IC1=CC=CS1 LQ2449 [2,0,0,0,0,0|1,0,0]=3 138 B6R1.2 NC1=CC=CS1 LQ1192 [2,0,0,0,0,0|0,0,0]=2 139 B6R1.2 NC1=CN=CS1 JZ5184 [2,0,0,0,0,0|1,0,0]=3 140 B6R1.2 NC1=CN=NS1 XJ2617 [2,0,0,0,0,0|2,0,0]=4 141 B6R1.2 NC1=CNC=N1 XJ2788 [2,0,0,0,0,0|2,0,0]=4 142 B6R1.2 NC1=CSC=C1 JZ5185 [2,0,0,0,0,0|2,0,0]=4 143 B6R1.2 NC1=CSC=C1 LX2986 [2,0,0,0,0,0|2,0,0]=4 144 B6R1.2 NC1=CSC=N1 YH65483 [2,0,0,0,0,0|2,0,0]=4 145 B6R1.2 NC1=NC=CN1 JZ3169 [2,0,0,0,0,0|2,0,0]=4 146 B6R1.2 NC1=NC=CN1 M0300317 [2,0,0,0,0,0|2,0,0]=4 147 B6R1.2 NC1=NC=CS1 XJ5842 [2,0,0,0,0,0|1,0,0]=3 148 B6R1.2 NC1=NNC=C1 LT6717 [2,0,0,0,0,0|2,0,0]=4 149 B6R1.2 NC1=NOC=C1 JZ4770 [2,0,0,0,0,0|2,0,0]=4 150 B6R1.2 NC1=NOC=C1 YH02226 [2,0,0,0,0,0|2,0,0]=4 151 B6R1.2 S=C1C=CSS1 RT14520 [2,0,0,0,0,0|2,0,0]=4 152 B6R1.2 S=C1SC=CS1 LQ1546 [2,0,0,0,0,0|2,0,0]=4 153 B6R1.2 SC1=CC=CS1 JZ3241 [2,0,0,0,0,0|1,0,0]=3 154 B6R1.2 [Mo+4]C1=CC=CC1 XJ5999 [2,0,0,0,0,0|2,0,0]=4 155 B6R1.2 [Ti+3]C1=CC=CC1 XJ1684 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 [TlH2]C1=CC=CC1 XJ5195 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 [Zr+3]C1=CC=CC1 XJ5181 [2,0,0,0,0,0|2,0,0]=4 158 B8R0.4 CCC\C=C\C=C\C=O LT5073 [0,1,1,0,0,0|1,1,0]=4 159 B8R0.7 NCCC\C=C\C(=O)O RT5552 [0,1,1,0,0,0|0,1,1]=4 160 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [1,1,0,0,0,0|1,0,1]=4 161 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [1,1,0,0,0,0|1,0,1]=4 162 B8R1.1 CCC1=CN=C(N)S1 YH58784 [1,1,0,0,0,0|1,0,0]=3 163 B8R1.1 CCC1=NC(Br)=CN1 YH65474 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.1 CCC1=NC(C)=CN1 YH96350 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.1 COC1=CN=C(C)S1 LT1946 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 ClCC1=CC=C(Cl)S1 XJ4740 [1,1,0,0,0,0|1,0,0]=3 167 B8R1.1 ClCC1=CN=C(Cl)S1 CJ3020 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.1 N#CC1=CC=C(Br)S1 YH46505 [1,1,0,0,0,0|0,0,2]=4 169 B8R1.1 NC1=NC=C(CO)S1 RT4658 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.1 NCC1=CN=C(Cl)S1 YH28200 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.1 O=CC1=CC(Br)=CS1 LQ4096 [1,1,0,0,0,0|1,0,1]=4 172 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,1,0,0,0,0|0,0,1]=3 173 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [1,1,0,0,0,0|0,1,0]=3 174 B8R1.7 CC(C)C1=NC=CN1 LT1583 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.7 CC(N)C1=CN=CO1 RT14536 [1,1,0,0,0,0|1,1,0]=4 176 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [1,1,0,0,0,0|0,1,0]=3 177 B8R1.7 N=C(N)C1=CC=CS1 LT0593 [1,1,0,0,0,0|0,0,1]=3 178 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,1,0,0,0,0|1,0,1]=4 179 B8R1.7 O=[N+]([O-])C1=CC=CS1 XJ1078 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.7 OB(O)C1=CC=CS1 XJ3044 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.11 CC1=C(CO)SC=N1 YH43789 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.11 CN1N=CC=C1CN YH90470 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.11 N#CC1=C(Br)C=CS1 LQ4097 [1,1,0,0,0,0|0,0,2]=4 184 B8R1.11 N#CC1=C(N)C=CS1 YH66595 [1,1,0,0,0,0|0,0,2]=4 185 B8R1.11 O=CC1=C(Br)C=CS1 CJ3010 [1,1,0,0,0,0|1,0,1]=4 186 B8R1.11 O=CC1=C(Cl)C=CS1 YH13244 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [0,1,0,0,0,1|1,0,0]=3 188 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [0,1,0,0,0,1|1,0,0]=3 189 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [0,1,0,0,0,1|2,0,0]=4 190 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [0,1,0,0,0,1|2,0,0]=4 191 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [0,1,0,0,0,1|2,0,0]=4 192 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [0,1,0,0,0,1|1,0,0]=3 193 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [0,1,0,0,0,1|1,0,0]=3 194 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [0,1,0,0,0,1|1,0,0]=3 195 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [0,1,0,0,0,1|1,0,0]=3 196 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [0,1,0,0,0,1|1,0,0]=3 197 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [0,1,0,0,0,1|1,0,0]=3 198 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [0,1,0,0,0,1|2,0,0]=4 199 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [0,1,0,0,0,1|2,0,0]=4 200 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [0,1,0,0,0,1|2,0,0]=4 201 B10R1.4 CC1=NC=CC=C1CCO RT8739 [0,1,0,0,0,1|2,0,0]=4 202 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [0,1,0,0,0,1|2,0,0]=4 203 B10R1.4 NC1=CC=CC=C1CCO YH05747 [0,1,0,0,0,1|2,0,0]=4 204 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [0,1,0,0,0,1|1,0,0]=3 205 B10R1.4 NCCC1=CC=CC=C1O RT6527 [0,1,0,0,0,1|1,0,0]=3 206 B10R1.4 NCCN1C=CC=CC1=O YH56675 [0,1,0,0,0,1|2,0,0]=4 207 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [0,1,0,0,0,1|2,0,0]=4 208 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [0,1,0,0,0,1|2,0,0]=4 209 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [0,1,0,0,0,1|2,0,0]=4 210 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [0,1,0,0,0,1|2,0,0]=4 211 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [0,1,0,0,0,1|2,0,0]=4 212 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [0,1,0,0,0,1|1,0,0]=3 213 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [0,1,0,0,0,1|1,0,0]=3 214 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [0,1,0,0,0,1|1,0,0]=3 215 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [0,1,0,0,0,1|2,0,0]=4 216 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [0,1,0,0,0,1|2,0,0]=4 217 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [0,1,0,0,0,1|2,0,0]=4 219 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [0,1,0,0,0,1|2,0,0]=4 221 B10R1.15 CCC(C)C1=NC=CN=C1 JZ1742 [0,1,0,0,0,1|2,0,0]=4 222 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [0,1,0,0,0,1|2,0,0]=4 223 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [0,1,0,0,0,1|1,0,1]=4 224 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [0,1,0,0,0,1|1,0,1]=4 225 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [0,1,0,0,0,1|1,0,0]=3 240 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [0,1,0,0,0,1|1,0,0]=3 241 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [0,1,0,0,0,1|1,0,0]=3 242 B10R1.17 COCCC1=NC=CC=C1 LT3761 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [0,1,0,0,0,1|1,0,1]=4 247 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [0,1,0,0,0,1|1,0,0]=3 248 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.18 CC(C)CC1=NC=CN=C1 JZ1743 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [0,1,0,0,0,1|1,0,0]=3 256 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,1,0,0,0,1|1,0,1]=4 258 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,1,0,0,0,1|1,0,1]=4 259 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [0,1,0,0,0,1|1,0,1]=4 260 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 LT0706 [0,2,0,0,0,0|1,0,1]=4 261 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,2,0,0,0,0|1,0,1]=4 263 B10R1.11 O=C(CCCl)C1=CC=CS1 YH65807 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.11 OC(CCCl)C1=CC=CS1 YH65507 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.21 CCCCCC1=CC=CO1 HL2632 [0,2,0,0,0,0|1,1,0]=4 266 B10R1.27 CNC(C)CC1=CC=CS1 RT4640 [0,2,0,0,0,0|0,0,0]=2 267 B10R1.27 CNC(C)CC1=CSC=C1 RT2220 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.27 N[C@H](CO)CC1=CNC=N1 XJ1824 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.66 CC(C)SCC1=CC=CO1 LT5478 [0,2,0,0,0,0|1,1,0]=4 270 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [0,2,0,0,0,0|1,0,0]=3 271 B10R1.187 NCCN1C(=O)C=CC1=O HL3537 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.2 NCC1=CC=CC=C1 LQ1371 [0,0,1,1,0,0|1,0,1]=4 273 B8R1.2 NCC1=CC=CN=C1 RT2311 [0,0,1,1,0,0|1,0,1]=4 274 B8R1.2 NCC1=NC=CC=C1 HL2591 [0,0,1,1,0,0|1,0,1]=4 275 B8R1.5 NC1=CC=CC=C1S LL0580 [0,0,1,1,0,0|0,0,2]=4 276 B8R1.4 NC1=CC=CC(S)=C1 LT6720 [0,0,1,1,0,0|0,0,2]=4 277 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [0,0,0,1,0,1|1,0,0]=3 278 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [0,0,0,1,0,1|2,0,0]=4 279 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [0,0,0,1,0,1|2,0,0]=4 280 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [0,0,0,1,0,1|1,0,0]=3 281 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [0,0,0,1,0,1|2,0,0]=4 282 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [0,0,0,1,0,1|2,0,0]=4 283 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [0,0,0,1,0,1|2,0,0]=4