0 B11R1.41 CCOC1=C(OC)C=CC=C1 YH65716 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.41 CCOC1=CC=CC=C1CO XJ6252 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 COC1=C(CC#N)C=CC=C1 XJ3232 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.41 COC1=C(N=C=O)C=CC=C1 LT1778 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.41 COC1=CC=CC=C1CC=O LQ4766 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.41 N#CCC1=C(C#N)C=CC=C1 HL2614 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.41 O=CC1=C(CCBr)C=CC=C1 YH47917 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.4 CC1=CC=CC=C1N=C=S HL0190 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.4 CC1=NC=CC=C1CC#N RT8737 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.4 NCCN1C=CC=CC1=O YH56675 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.20 BrCC1=CC=CC=C1CBr RT11980 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.20 C(=O)C1=C(OC)C=CC=C1 RT17703 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.20 C(=O)C1=CC=CC=C1CC RT12794 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.20 CCC1=C(NN)C=CC=C1 LQ5433 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.20 CCC1=NC=CN=C1CC JZ0973 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.20 COC1=C(C#N)C=NC=C1 YH16555 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.20 COC1=C(CN)C=CC=C1 JZ2995 [1,0,0,0,0,0|0,0,0]=1 39 B10R1.20 COC1=CC=CC=C1C#N SY0006 [1,0,0,0,0,0|0,0,2]=3 40 B10R1.20 COC1=CC=CC=C1CCl YH14808 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.20 COC1=CC=CC=C1NN RT12858 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.20 COC1=CC=CC=C1NN XJ5828 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.20 COC1=CC=CC=C1SC JZ1969 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.20 COC1=CC=CN=C1C=O YH42134 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.20 COC1=NC=CC=C1NN YH37776 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.20 N#CC1=C(CBr)C=CC=C1 LT6905 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.20 N#CC1=C(CCl)C=CC=C1 HL0135 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.20 NCC1=C(C=O)C=CC=N1 HL4830 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.20 OCC1=CC=CC=C1CO HL0136 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 YH05030 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.75 COC1=CC=CC=C1CC(=O)O HL1217 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.75 COC1=CC=CC=C1NC(C)=O HL1218 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.75 COC1=NC=CN=C1CC(C)C LT1765 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.77 CCC(C)C1=NC=CN=C1OC LT1767 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.77 COC1=CC=CC=C1C(=O)CBr LT0285 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.121 CCCOC1=C(C=O)C=CC=C1 YH15035 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.121 COC1=C(OCCN)C=CC=C1 LT1598 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.121 COC1=C(OCCN)C=CC=C1 LX3002 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.121 COC1=CC=CC=C1OCC=O RT11881 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.121 O=CC1=CC=CC=C1OCCBr XJ5919 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.169 CCCC1=C(N=C=O)C=CC=C1 HL3809 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.169 CCOC1=CC=CC=C1OCC HL2082 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.268 COC1=CC=C(C)C=C1N=C=S HL3808 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.268 COC1=CC=C(N)C=C1NC=O RT1632 [0,1,0,0,0,0|2,0,1]=4 66 B12R2.1 BrCC1=NOC2=CC=CC=C21 LT5834 [0,0,0,1,0,0|2,0,1]=4 67 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,0,0,1,0,0|0,1,2]=4 68 B12R2.1 OCC1=NOC2=CC=CC=C21 YH66546 [0,0,0,1,0,0|2,0,1]=4 69 B12R2.18 CC1CC2=C(C=CC=C2)N1N HL3135 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.18 CC1CC2=C(C=CC=C2)N1N LQ4728 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,0,0,1,0,0|2,0,1]=4 73 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)N1 LT1109 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)N1 LT1108 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,0,0,1,0,0|1,0,0]=2 82 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,0,0,1,0,0|1,0,0]=2 83 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [0,0,0,1,0,0|1,0,0]=2 86 B12R2.41 C1=CC=C2NCCNCC2=C1 LQ2968 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.315 C=CC1=CC=CC2=C1CCO2 YH48063 [0,0,0,1,0,0|2,0,1]=4 88 B12R2.315 CCC1=C2NCCC2=CC=C1 LT3230 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.315 COC1=C2C=CNC2=CC=C1 JZ2637 [0,0,0,1,0,0|0,0,2]=3 90 B12R2.315 COC1=C2C=CNC2=NC=C1 YH28988 [0,0,0,1,0,0|1,0,2]=4 91 B12R2.315 COC1=C2CCNC2=CC=C1 YH17298 [0,0,0,1,0,0|0,0,0]=1 92 B12R2.315 COC1=C2NC=CC2=CC=C1 JZ2244 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.315 OCC1=C2CCOC2=CC=C1 RT9703 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,0,0,1,0,0|1,0,0]=2 96 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,0,0,1,0,0|3,0,0]=4 103 B9R0.15 C=C\C=C(/CCC)C(=O)O RT16956 [1,0,1,0,0,0|2,0,0]=4 104 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.8 CCCC1=CC=NC=C1 LT3807 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 CNCC1=CC=CC=C1 RT3204 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 NCCC1=CC=NC=C1 YH11719 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 NNCC1=CC=CC=C1 LX3048 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 NOCC1=CC=CC=C1 LT5864 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [2,0,0,0,0,0|1,0,1]=4 120 B9R1.8 OCCC1=CC=CC=C1 YH43593 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 SCCC1=CC=NC=C1 RT10479 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 SCCC1=NC=CC=C1 RT10478 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.15 C#CC1=CC=CC=C1C SY0118 [2,0,0,0,0,0|0,0,2]=4 127 B9R1.15 C#CC1=CC=CC=C1N XJ5657 [2,0,0,0,0,0|1,0,1]=4 128 B9R1.15 C=CC1=CC=CC=C1C XJ1115 [2,0,0,0,0,0|0,0,2]=4 129 B9R1.15 C=CC1=CC=CC=C1O RT11656 [2,0,0,0,0,0|0,0,2]=4 130 B9R1.15 CC1=C(C#N)C=CC=C1 LQ0969 [2,0,0,0,0,0|0,0,2]=4 131 B9R1.15 CC1=CC=CC=C1C=O LQ0970 [2,0,0,0,0,0|1,0,1]=4 132 B9R1.15 CC1=CC=CC=C1CN XJ0151 [2,0,0,0,0,0|0,0,0]=2 133 B9R1.15 CC1=CC=CN=C1CN LT3920 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.15 CC1=CN=CN=C1CN RT2792 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 CC1=NC=CC=C1CCl RT8738 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.15 CCC1=C(Br)C=NC=C1 LQ4988 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.15 CCC1=C(C)C=CN=C1 LQ0971 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.15 CCC1=C(F)N=CC=C1 LT3213 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 CCC1=CC=CC=C1F RT10529 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.15 CCC1=CC=CC=C1I XJ4411 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.15 CCC1=CC=CC=C1S LT1736 [2,0,0,0,0,0|0,1,0]=3 143 B9R1.15 CCC1=CC=CC=[N+]1[O-] LT3942 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.15 CCC1=CC=CN=C1N RT2490 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 CCC1=NC=CN=C1C JZ1026 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.15 CC[N+]1=CC=CC=C1Br HL0484 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 CNC1=C(F)C=CC=C1 RT3629 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 CNC1=CC=CC=C1C XJ1117 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.15 COC1=C(Br)C=CC=C1 LT0298 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.15 COC1=C(F)C=CC=C1 LT6544 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.15 COC1=C(I)C=CC=N1 XJ6838 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 COC1=C(N)C=NC=C1 YH55284 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 COC1=CC=CC=C1O LT7681 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.15 COC1=CC=CN=C1Br XJ4798 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 COC1=CC=CN=C1C YH50584 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.15 COC1=CC=CN=C1Cl XJ5647 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 COC1=CC=CN=C1N XJ3561 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.15 COC1=CC=CNC1=O XJ4627 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 COC1=CN=CN=C1N LQ1357 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 COC1=NC=CC=C1N LQ4218 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.15 CSC1=C(Cl)C=CC=C1 JZ5186 [2,0,0,0,0,0|1,1,0]=4 162 B9R1.15 CSC1=C(F)C=CC=C1 XJ1257 [2,0,0,0,0,0|1,1,0]=4 163 B9R1.15 CSC1=CC=CC=C1C JZ4854 [2,0,0,0,0,0|0,1,0]=3 164 B9R1.15 CSC1=CC=CC=C1I LQ4804 [2,0,0,0,0,0|1,1,0]=4 165 B9R1.15 CSC1=CC=CC=C1O JZ4356 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 FC1=CC=CC=C1CBr RT11192 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 N#CC1=C(N)C=CC=C1 RT1553 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.15 N#CC1=C(O)C=CC=C1 YH09892 [2,0,0,0,0,0|0,0,2]=4 172 B9R1.15 NC1=CC=CC=C1CO LT2291 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [2,0,0,0,0,0|0,0,0]=2 176 B9R1.15 NCC1=CC=CC=C1Br LT0305 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 NCC1=CC=CNC1=O RT2213 [2,0,0,0,0,0|1,0,1]=4 180 B9R1.15 NNC1=C(F)C=CC=C1 JZ2154 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 NNC1=CC=CC=C1Br XJ5550 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 NNC1=CC=CC=C1F LT1512 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.15 OC1=CC=CN=C1CBr XJ6520 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 OCC1=NC=CC=C1O YH34195 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.17 C=CCOC1=CC=CC=C1O HL0688 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.17 COCCC1=CC=CC=C1O RT11073 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.17 FCCSC1=CC=CC=C1Br LT1460 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.17 NCCOC1=CC=CC=C1O RT2926 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.81 CCCC1=C(O)C=C(O)C=C1 LQ4152 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.81 ClC1=CC(Br)=CC=C1CCI RT1162 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl XJ5608 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.81 OCCC1=CC=C(Br)C=C1Cl RT1161 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.86 NC(=S)NC1=CC=CC=C1O LQ1826 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.182 NC1=CC=C(N)C(CCO)=C1 YH96767 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl YH42571 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.605 OCCC1=C(F)C=CC=C1Cl LL2609 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.37 COC1=C(C=O)C=CC(F)=C1 XJ0780 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.37 COC1=C(C=O)C=CC(O)=C1 LT2826 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.37 COC1=C(OC)C=C(F)C=C1 HL1782 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.37 COC1=C(OC)C=C(N)C=C1 LT1835 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.37 COC1=C(OC)C=C(O)C=C1 RT6475 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.37 COC1=C(OC)C=C(S)C=C1 JZ4106 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.37 COC1=CC(C)=CC=C1C=O YH07924 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.37 COC1=CC=C(Br)C=C1C=O LQ4471 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.37 COC1=CC=C(Cl)C=C1C#N LQ5341 [1,1,0,0,0,0|0,0,2]=4 222 B11R1.37 COC1=CC=C(F)C=C1C#N HL3792 [1,1,0,0,0,0|0,0,2]=4 223 B11R1.37 COC1=CC=C(F)C=C1C=O XJ4487 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.37 COC1=CC=C(I)N=C1OC YH54283 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.53 CC(C)C1=CC=CC=C1OO XJ0107 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.53 CCC1=CC=CC=C1B(O)O HL4859 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.53 COC1=C(B(O)O)C=CC=C1 XJ2964 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.53 COC1=C(C(=O)O)C=CC=C1 XJ0973 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.53 COC1=CC=CC=C1C(N)=O LT1774 [1,1,0,0,0,0|0,0,1]=3 230 B11R1.265 COC1=C(C=O)C(O)=CC=C1 JZ4100 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.265 COC1=C(OC)C(C)=CC=C1 LT0090 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.265 COC1=CC=CC(F)=C1C=O HL3523 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.265 CSC1=C(CO)C(Cl)=CC=C1 RT12979 [1,1,0,0,0,0|1,1,0]=4 234 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 YH07135 [0,2,0,0,0,0|0,0,0]=2 235 B13R1.382 CCOC1=CC=CC=C1C(=O)NN LT2304 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.382 CCOC1=CC=CC=C1C(=O)OC XJ2557 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 LT1719 [0,2,0,0,0,0|0,0,2]=4 238 B13R1.73 COC1=CC(O)=CC=C1OCCN RT1509 [0,2,0,0,0,0|0,0,0]=2 239 B13R1.1248 CCOC1=CC=C(N)C=C1OCC YH58736 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 LL0467 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.485 CCOC1=CC=CC=C1OCC=O RT4469 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.485 CCOC1=CC=CC=C1OCCBr RT6221 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.485 CCOC1=CC=CC=C1OCCN LQ3168 [0,2,0,0,0,0|0,0,0]=2 244 B13R1.355 CCOC1=CC(C=O)=CC=C1OC HL0717 [0,2,0,0,0,0|2,0,0]=4 245 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [1,0,0,1,0,0|2,0,0]=4 246 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [1,0,0,1,0,0|2,0,0]=4 247 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [1,0,0,1,0,0|0,0,0]=2 248 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [1,0,0,1,0,0|0,0,0]=2 249 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [1,0,0,1,0,0|1,0,1]=4 250 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [1,0,0,1,0,0|1,0,0]=3 251 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [1,0,0,1,0,0|1,0,0]=3 252 B11R2.20 C1=CC=C2OCCOC2=C1 LL0887 [1,0,0,1,0,0|2,0,0]=4 253 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.20 C1=NC=C2CCNCC2=N1 YH18693 [1,0,0,1,0,0|2,0,0]=4 256 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [1,0,0,1,0,0|1,0,0]=3 257 B11R2.20 C1=NC=C2CNCCC2=N1 YH43243 [1,0,0,1,0,0|2,0,0]=4 258 B11R2.55 ClC1=CC=CC=C1C2CO2 RT7261 [1,0,0,1,0,0|2,0,0]=4 259 B11R2.55 OC1=CC=CC=C1C2CO2 RT7911 [1,0,0,1,0,0|1,0,0]=3 260 B11R2.106 BrC1=CC=CC2=C1CCO2 RT9936 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.106 CC1=C2N=CNC2=CC=C1 YH03213 [1,0,0,1,0,0|1,0,1]=4 262 B11R2.106 CC1=C2N=NNC2=CC=C1 RT8360 [1,0,0,1,0,0|2,0,0]=4 263 B11R2.106 CC1=CC=CC2=C1C=CN2 XJ4238 [1,0,0,1,0,0|0,0,2]=4 264 B11R2.106 FC1=CC=CC2=C1CCN2 YH65847 [1,0,0,1,0,0|1,0,0]=3 265 B11R2.106 OC1=C2C=CNC2=CC=C1 RT14408 [1,0,0,1,0,0|0,0,2]=4 266 B11R2.106 OC1=C2CCOC2=CC=C1 YH34935 [1,0,0,1,0,0|1,0,0]=3 267 B11R2.106 OC1=C2N=CNC2=CC=C1 YH13030 [1,0,0,1,0,0|1,0,1]=4 268 B11R2.106 OC1=CC=CC2=C1CC=C2 RT6145 [1,0,0,1,0,0|1,0,1]=4 269 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,1,0,0|1,0,1]=4 270 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [1,0,0,1,0,0|0,0,2]=4 271 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [1,0,0,1,0,0|1,0,1]=4 272 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [1,0,0,1,0,0|1,0,1]=4 273 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [1,0,0,1,0,0|1,0,0]=3 274 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [1,0,0,1,0,0|1,0,0]=3 275 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [1,0,0,1,0,0|1,0,0]=3 276 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [1,0,0,1,0,0|1,0,0]=3 277 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [1,0,0,1,0,0|1,0,0]=3 278 B11R2.1 N[C@H]1CCC2=CC=CN=C21 YH03814 [1,0,0,1,0,0|2,0,0]=4 279 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [1,0,0,1,0,0|1,0,1]=4 281 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [1,0,0,1,0,0|2,0,0]=4 282 B13R2.581 CCC1=CC=CC2=C1CC(=O)N2 RT8051 [0,1,0,1,0,0|1,0,1]=4 283 B13R2.581 COC1=C2N=C(N)SC2=CC=C1 JZ1133 [0,1,0,1,0,0|1,0,1]=4 284 B13R2.371 O=C1NCC(O)C2=C1C=CC=C2 RT7909 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.2931 NCC1OC(=O)C2=C1C=CC=C2 RT6239 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.5252 CN1CCCNC2=CC=CC=C21 RT7769 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.5252 O=C1CCCCC2=CC=CC=C12 JZ4201 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 LT1148 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.162 CN1CCCC2=CC=C(N)C=C21 LT5991 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.162 NC1=C2CC(O)CCC2=CC=C1 YH10651 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.623 COC1=C2C=NNC2=CC(Br)=C1 YH92583 [0,1,0,1,0,0|1,0,1]=4 292 B13R2.1 NCCC1=CNC2=C1C=CC=C2 LQ0684 [0,1,0,1,0,0|1,0,1]=4 293 B13R2.1 NCCC1=CNC2=CC=CC=C12 RT4105 [0,1,0,1,0,0|1,0,1]=4 294 B13R2.57 N#CC1COC2=CC=CC=C2O1 JZ0165 [0,1,0,1,0,0|0,0,2]=4 295 B13R2.57 OCC1COC2=CC=CC=C2O1 XJ2538 [0,1,0,1,0,0|1,0,0]=3 296 B13R2.573 COC1=C2CCC(=O)C2=CC=C1 XJ3848 [0,1,0,1,0,0|1,0,0]=3 297 B13R2.573 N#CC1=C2CC[C@@H](N)C2=CC=C1 YH28522 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.292 NCCC1=C2OCCC2=CC=C1 YH89467 [0,1,0,1,0,0|0,0,0]=2 299 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 RT2455 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 YH66658 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 RT2428 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.5179 OC1COC2=C(C=CC=C2Br)C1 YH32093 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 YH07394 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.33 CN1C=NC=C1CCN RT4531 [1,0,0,0,1,0|2,0,0]=4 305 B9R1.14 COC1=CSC=C1OC LT0657 [1,0,0,0,1,0|2,0,0]=4