0 B8R1.8 C=CCN1C=CN=C1 LQ4711 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCSC1=NN=NN1 JZ1159 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CNCC1=CC=NO1 YH59432 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CSCC1=CC=CO1 LT5048 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 ClCCC1=CNC=N1 YH65151 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.8 ClCCC1=NN=NN1 LT3475 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 N#CCC1=CC=CS1 LT2195 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.8 N#CCC1=CC=NO1 RT9281 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 N#CCC1=CSC=C1 LT0742 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.8 N#CCN1C=CN=C1 LL1748 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.8 NCCC1=CC=NN1 RT1410 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=CNC=N1 HL1018 [0,0,0,0,0,0|0,0,2]=2 12 B8R1.8 NCCC1=CNC=N1 LQ0056 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.8 NCCN1C=CN=C1 XJ2978 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCN1C=NC=N1 YH65833 [0,0,0,0,0,0|1,0,1]=2 15 B8R1.8 OCCC1=CC=CS1 LT0210 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 OCCC1=CNC=N1 XJ1421 [0,0,0,0,0,0|1,0,2]=3 17 B7R1.1 BrCC1=CSC=N1 YH05414 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 BrCC1=NC=CN1 RT8753 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 CCC1=CC=CS1 XJ1420 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 CCC1=NC=CN1 LT6532 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 CCN1C=NC=N1 JZ5098 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.1 COC1=CC=CO1 XJ4809 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 CSC1=NN=NN1 LT3570 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 ClCC1=CC=CS1 LT1710 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 ClCC1=NN=NN1 LT3238 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 NCC1=CC=CO1 RT4371 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 NCC1=CC=CS1 LT5820 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=CSC=C1 YH51468 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 NCC1=NC=CO1 YH92552 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 NCC1=NC=NN1 YH08493 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.1 O=CC1=CC=CN1 HL3957 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 O=CC1=CC=CN1 RT5965 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 OCC1=CC=CN1 RT14126 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 OCC1=CC=CO1 XJ0217 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 OCC1=CN=CS1 LT6037 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 OCC1=CNC=C1 RT14164 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 OCC1=CNC=N1 LT5215 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.1 OCC1=CNC=N1 LT6077 [1,0,0,0,0,0|1,0,2]=4 39 B7R1.1 OCC1=CSC=C1 LT2643 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 OCC1=NC=CN1 YH57629 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 SCC1=CC=CO1 LL2412 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 [Na]SC1=CN=NN1 LQ5469 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.7 CCCC1=CC(N)=NN1 LQ5499 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.12 CCCCC1=CSC=C1 CJ2145 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.12 CCCCC1=NC=CN1 YH04182 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.12 CCCCN1C=CN=C1 LQ2667 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.12 CNCCC1=CNC=N1 HL0326 [0,1,0,0,0,0|0,0,2]=3 49 B9R1.12 NCCCN1C=CN=C1 HL2858 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.33 CC1=C(CCCl)SC=N1 RT10340 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.33 CC1=C(CCO)SC=N1 RT17443 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.33 CN1C=NC=C1CCN RT4531 [0,1,0,0,0,0|0,0,0]=1 55 B9R1.33 CN1C=NC=C1N=C=O YH65544 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.8 CCCC1=CC=NC=C1 LT3807 [0,0,0,0,0,1|2,0,0]=3 61 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.8 COCC1=CC=CN=C1 LQ5401 [0,0,0,0,0,1|3,0,0]=4 63 B9R1.8 COCC1=NC=CN=C1 LT2349 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [0,0,0,0,0,1|2,0,0]=3 67 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [0,0,0,0,0,1|1,0,2]=4 68 B9R1.8 N#CCC1=CN=CN=C1 YH65437 [0,0,0,0,0,1|0,0,3]=4 69 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [0,0,0,0,0,1|1,0,0]=2 70 B9R1.8 NCCC1=CC=NC=C1 YH11719 [0,0,0,0,0,1|1,0,0]=2 71 B9R1.8 NCCC1=CCCCC1 HL2542 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.8 NNCC1=CC=CC=C1 LX3048 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.8 NOCC1=CC=CC=C1 LT5864 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.8 OCCC1=CC=CC=C1 YH43593 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [0,0,0,0,0,1|2,0,0]=3 78 B9R1.8 SCCC1=CC=NC=C1 RT10479 [0,0,0,0,0,1|2,0,0]=3 79 B9R1.8 SCCC1=NC=CC=C1 RT10478 [0,0,0,0,0,1|2,0,1]=4 80 B6R0.6 CCC\C=C\C=O LQ3146 [1,0,1,0,0,0|2,0,0]=4 81 B6R0.1 C=CC(N)CCO YH91593 [1,0,1,0,0,0|1,0,1]=4 82 B6R0.1 CCC\C(N)=N\O XJ4957 [1,0,1,0,0,0|2,0,0]=4 83 B6R1.2 BrC1=CN=CS1 HL2419 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 CC1=CC=CC1 LQ4531 [2,0,0,0,0,0|2,0,0]=4 85 B6R1.2 CC1=CC=CO1 RT14148 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 CC1=CC=CS1 HL0035 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 CC1=CC=NO1 XJ2996 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 CC1=CN=CS1 JZ2359 [2,0,0,0,0,0|1,0,0]=3 89 B6R1.2 CC1=CNC=C1 YH10214 [2,0,0,0,0,0|1,0,1]=4 90 B6R1.2 CC1=CNC=N1 RT8712 [2,0,0,0,0,0|0,0,2]=4 91 B6R1.2 CC1=CNN=C1 LX2319 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 CC1=COC=C1 LQ1543 [2,0,0,0,0,0|2,0,0]=4 93 B6R1.2 CC1=CSC=C1 LT0736 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 CC1=CSC=C1 LT6829 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 CC1=CSC=N1 JZ1146 [2,0,0,0,0,0|1,0,1]=4 96 B6R1.2 CC1=NC=CN1 RT6736 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 CC1=NN=NN1 LT1325 [2,0,0,0,0,0|2,0,0]=4 98 B6R1.2 CN1C=CN=C1 RT14814 [2,0,0,0,0,0|2,0,0]=4 99 B6R1.2 CN1C=NC=N1 JZ2858 [2,0,0,0,0,0|1,0,1]=4 100 B6R1.2 ClC1=CN=CN1 JZ5089 [2,0,0,0,0,0|1,0,0]=3 101 B6R1.2 NC1=CC=CS1 LQ1192 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 NC1=CN=CS1 JZ5184 [2,0,0,0,0,0|1,0,0]=3 103 B6R1.2 NC1=CN=NS1 XJ2617 [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 NC1=CNC=N1 XJ2788 [2,0,0,0,0,0|0,0,2]=4 105 B6R1.2 NC1=CSC=C1 JZ5185 [2,0,0,0,0,0|2,0,0]=4 106 B6R1.2 NC1=CSC=C1 LX2986 [2,0,0,0,0,0|2,0,0]=4 107 B6R1.2 NC1=CSC=N1 YH65483 [2,0,0,0,0,0|1,0,1]=4 108 B6R1.2 NC1=NC=CN1 JZ3169 [2,0,0,0,0,0|2,0,0]=4 109 B6R1.2 NC1=NC=CN1 M0300317 [2,0,0,0,0,0|2,0,0]=4 110 B6R1.2 NC1=NN=NN1 LT1321 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.1 CCC1=CN=C(N)S1 YH58784 [1,1,0,0,0,0|1,0,0]=3 112 B8R1.1 CCC1=NC(Br)=CN1 YH65474 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 CCC1=NC(C)=CN1 YH96350 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.1 COC1=CN=C(C)S1 LT1946 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.1 ClCC1=CN=C(Cl)S1 CJ3020 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.1 NC1=NC=C(CO)S1 RT4658 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.1 NCC1=CN=C(Cl)S1 YH28200 [1,1,0,0,0,0|1,0,0]=3 118 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [1,1,0,0,0,0|2,0,0]=4 119 B8R1.7 CC(C)C1=NC=CN1 LT1583 [1,1,0,0,0,0|2,0,0]=4 120 B8R1.7 CC(C)N1C=CN=C1 LX2496 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.7 CC(N)C1=CN=CO1 RT14536 [1,1,0,0,0,0|1,0,0]=3 122 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [1,1,0,0,0,0|1,0,1]=4 124 B8R1.7 O=[N+]([O-])C1=CN=CN1 LT2856 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.11 CC1=C(CO)NC=N1 LT2845 [1,1,0,0,0,0|1,0,0]=3 126 B8R1.11 CC1=C(CO)SC=N1 YH43789 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.11 CCC1=CNN=C1N YH65440 [1,1,0,0,0,0|2,0,0]=4 128 B8R1.11 CN1N=CC=C1CN YH90470 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [0,1,0,0,0,1|1,0,1]=4 131 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.4 CC1=NC=CC=C1CCO RT8739 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.4 NCCC1=CC=CC=C1O RT6527 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.15 CCC(C)C1=NC=CN=C1 JZ1742 [0,1,0,0,0,1|1,0,1]=4 145 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [0,1,0,0,0,1|1,0,1]=4 146 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [0,1,0,0,0,1|1,0,0]=3 151 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [0,1,0,0,0,1|1,0,1]=4 152 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [0,1,0,0,0,1|1,0,1]=4 153 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [0,1,0,0,0,1|1,0,1]=4 154 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.18 CC(C)CC1=NC=CN=C1 JZ1743 [0,1,0,0,0,1|1,0,1]=4 158 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,1,0,0,0,1|1,0,1]=4 160 B10R1.27 CNC(C)CC1=CC=CS1 RT4640 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.27 CNC(C)CC1=CSC=C1 RT2220 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.27 N[C@H](CO)CC1=CNC=N1 XJ1824 [0,2,0,0,0,0|0,0,2]=4 163 B8R1.2 NCC1=CC=CN=C1 RT2311 [0,0,1,1,0,0|1,0,1]=4 164 B8R1.2 NCC1=CC=NC=C1 LL1070 [0,0,1,1,0,0|1,0,1]=4 165 B8R1.2 NCC1=CC=NC=C1 RT10176 [0,0,1,1,0,0|1,0,1]=4 166 B8R1.5 NC1=CC=CN=C1N YH15322 [0,0,1,1,0,0|0,0,2]=4 167 B8R1.4 NC1=CN=CC(N)=C1 LT5132 [0,0,1,1,0,0|0,0,2]=4 168 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [0,0,0,1,0,1|2,0,0]=4 169 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [0,0,0,1,0,1|2,0,0]=4 170 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [0,0,0,1,0,1|2,0,0]=4 171 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [0,0,0,1,0,1|2,0,0]=4 172 B10R2.2 SC1CN2C=NC=[N+]2C1 LT3582 [0,1,0,1,0,0|2,0,0]=4