0 B11R2.1 BrC1=C2C=CC=CN2N=C1 YH65853 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 BrC1=CNC2=NC=CC=C12 RT16007 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 BrC1=NNC2=NC=CC=C12 YH13914 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [0,0,0,0,0,0|2,0,2]=4 10 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.1 ClC1=C2C=CC=NC2=NN1 RT9425 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [0,0,0,0,0,0|3,0,0]=3 19 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,0,0,0|2,0,1]=3 20 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,0,0,0|2,0,1]=3 21 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.1 NN1N=NC2=CC=CC=C21 XJ1857 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,0,0,0|2,0,1]=3 24 B11R2.1 N[C@H]1CCC2=CC=CN=C21 YH03814 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [0,0,0,0,0,0|1,0,1]=2 26 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,0,0,0,0,0|1,0,0]=1 27 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [0,0,0,0,0,0|2,0,0]=2 28 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [0,0,0,0,0,0|2,0,0]=2 29 B11R2.1 O=C1NCC2=C1C=NC=C2 YH59390 [0,0,0,0,0,0|2,0,0]=2 30 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [0,0,0,0,0,0|1,0,0]=1 31 B11R2.1 O=C1NCC2=NC=CC=C12 YH59389 [0,0,0,0,0,0|2,0,0]=2 32 B11R2.1 O=C1NN=C2C=CC=CN12 XJ3189 [0,0,0,0,0,0|3,0,0]=3 33 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [0,0,0,0,0,0|2,0,0]=2 34 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [0,0,0,0,0,0|2,0,1]=3 36 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [0,0,0,0,0,0|3,0,1]=4 37 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [0,0,0,0,0,0|3,0,1]=4 38 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,0,0,0,0,0|2,1,0]=3 39 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 LQ0894 [0,0,0,0,0,0|2,0,1]=3 40 B10R2.7 B1OC2=C(C=CC=C2)O1 LL0610 [1,0,0,0,0,0|3,0,0]=4 41 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,0,0,0|1,0,1]=3 42 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,0,0,0|1,0,1]=3 43 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,0,0,0|2,0,0]=3 44 B10R2.7 C1=CC2=C(C=C1)NN=N2 LQ0258 [1,0,0,0,0,0|3,0,0]=4 45 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [1,0,0,0,0,0|2,0,0]=3 46 B10R2.7 C1=CC2=C(C=N1)OC=C2 XJ4535 [1,0,0,0,0,0|3,0,0]=4 47 B10R2.7 C1=CC2=C(CNC2)N=C1 YH35533 [1,0,0,0,0,0|2,0,1]=4 48 B10R2.7 C1=CC2=CC=NC=C2N1 LL0597 [1,0,0,0,0,0|3,0,0]=4 49 B10R2.7 C1=CC2=CN=CC=C2N1 LL0598 [1,0,0,0,0,0|3,0,0]=4 50 B10R2.7 C1=CC2=CN=CC=C2S1 RT10481 [1,0,0,0,0,0|3,0,0]=4 51 B10R2.7 C1=CC2=NC=CN2C=C1 LL0611 [1,0,0,0,0,0|3,0,0]=4 52 B10R2.7 C1=CC2=NCCN2C=C1 RT2480 [1,0,0,0,0,0|3,0,0]=4 53 B10R2.7 C1=CC2=N[N-]N=C2C=C1 LL2265 [1,0,0,0,0,0|3,0,0]=4 54 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,0,0,0|1,0,0]=2 55 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,0,0,0|2,0,0]=3 56 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,0,0,0|2,0,0]=3 57 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [1,0,0,0,0,0|3,0,0]=4 58 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,0,0,0|2,0,0]=3 59 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [1,0,0,0,0,0|2,0,0]=3 60 B10R2.7 C1=CN=C2C=CNC2=C1 LL0604 [1,0,0,0,0,0|3,0,0]=4 61 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [1,0,0,0,0,0|2,0,1]=4 62 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [1,0,0,0,0,0|2,0,1]=4 63 B10R2.7 C1=CN=C2CNCC2=C1 YH35531 [1,0,0,0,0,0|2,0,1]=4 64 B10R2.7 C1=CN=C2CNCC2=C1 YH44941 [1,0,0,0,0,0|2,0,1]=4 65 B10R2.7 C1=CN=C2NC=CC2=C1 LT6084 [1,0,0,0,0,0|3,0,0]=4 66 B10R2.7 C1=NC=C2CNCC2=C1 YH03382 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.1 BrCC1=NOC2=CC=CC=C21 LT5834 [0,1,0,0,0,0|3,0,0]=4 68 B12R2.1 ClCC1=CSC2=CC=CC=C12 LT0579 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.1 O=CC1=CNC2=C1C=CC=C2 LT2996 [0,1,0,0,0,0|2,0,0]=3 71 B12R2.1 O=CC1=CSC2=CC=CC=C12 YH05980 [0,1,0,0,0,0|2,0,0]=3 72 B12R2.1 O=CC1=NNC2=CC=CC=C21 LQ2784 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.1 OCC1=CNC2=C1C=CC=C2 LT4083 [0,1,0,0,0,0|2,0,1]=4 74 B12R2.1 OCC1=CNC2=CC=CC=C12 LT7617 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.1 OCC1=NOC2=CC=CC=C21 YH66546 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.18 CC1CC2=C(C=CC=C2)N1N HL3135 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.18 CC1CC2=C(C=CC=C2)N1N LQ4728 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,1,0,0,0,0|1,0,0]=2 79 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.18 ClC1=C(Cl)C2=C(C=CC=C2)N1 RT8298 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,1,0,0,0,0|2,0,1]=4 82 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,1,0,0,0,0|2,0,1]=4 84 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,1,0,0,0,0|1,0,0]=2 85 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,1,0,0,0,0|2,0,0]=3 86 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,1,0,0,0,0|1,0,2]=4 87 B12R2.132 BrC1=CC2=C(C=C1)NC=C2Br YH19883 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 LQ4410 [0,1,0,0,0,0|1,0,0]=2 89 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 HL1736 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 XJ4482 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 YH94517 [0,1,0,0,0,0|3,0,0]=4 92 B12R2.132 ClC1=CC2=C(C=C1)NN=C2I YH56317 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 HL4378 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 YH05281 [0,1,0,0,0,0|3,0,0]=4 95 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 YH09985 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.132 NC1CCC2=CC=C(Br)C=C21 YH94710 [0,1,0,0,0,0|2,0,1]=4 97 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 RT1823 [0,1,0,0,0,0|2,0,1]=4 98 B12R2.132 N[C@@H]1CCC2=CC=C(F)C=C21 YH19003 [0,1,0,0,0,0|2,0,1]=4 99 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 LQ3761 [0,1,0,0,0,0|1,0,0]=2 100 B12R2.132 O=C1CCC2=CC=C(F)C=C12 HL0875 [0,1,0,0,0,0|1,0,0]=2 101 B12R2.132 O=C1CCC2=CC=C(O)C=C12 XJ5989 [0,1,0,0,0,0|1,0,0]=2 102 B12R2.132 O=C1NCC2=C1C=C(S)C=C2 YH65675 [0,1,0,0,0,0|1,0,0]=2 103 B12R2.132 O=C1NSC2=C1C=C(Cl)C=C2 RT15601 [0,1,0,0,0,0|2,0,0]=3 104 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 XJ4519 [0,1,0,0,0,0|0,0,0]=1 105 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,1,0,0,0,0|1,0,0]=2 106 B12R2.196 CC1=CNC2=C1C=CC=C2Br YH66642 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.196 CC1=CSC2=C(Cl)C=CC=C12 RT10476 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.196 NC1CCC2=C1C=CC=C2F YH35733 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CJ2785 [0,1,0,0,0,0|1,0,0]=2 110 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [0,1,0,0,0,0|1,0,0]=2 111 B12R2.196 O=C1CCC2=C1C=CC=C2O LQ5074 [0,1,0,0,0,0|1,0,0]=2 112 B12R2.196 O=C1NCC2=C1C=CC=C2Br YH55335 [0,1,0,0,0,0|1,0,0]=2 113 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 YH21568 [0,1,0,0,0,0|0,0,0]=1 114 B12R2.196 OC1=NNC2=C(Br)C=CC=C12 YH93160 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 LX2203 [0,1,0,0,0,0|1,0,0]=2 116 B12R2.203 NC1=NNC2=C1C(Br)=CC=C2 YH95304 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.203 NC1=NNC2=C1C(Cl)=CC=C2 YH65741 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.203 NC1=NNC2=C1C(I)=CC=C2 YH65857 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29451 [0,1,0,0,0,0|1,0,0]=2 120 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29819 [0,1,0,0,0,0|1,0,0]=2 121 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 YH56099 [0,1,0,0,0,0|1,0,0]=2 122 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 YH66130 [0,1,0,0,0,0|1,0,0]=2 123 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 XJ3186 [0,1,0,0,0,0|1,0,0]=2 124 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,1,0,0,0,0|1,0,0]=2 125 B12R2.612 ClC1=CC=C2C(=C1)NN=C2Br YH92594 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,1,0,0,0,0|1,0,0]=2 127 B12R2.612 NC1CCC2=CC(Br)=CC=C21 YH97266 [0,1,0,0,0,0|2,0,1]=4 128 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,1,0,0,0,0|1,0,0]=2 129 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,1,0,0,0,0|1,0,0]=2 130 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.612 O=C1COC2=CC(Br)=CC=C12 YH44457 [0,1,0,0,0,0|2,0,0]=3 133 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 XJ2407 [0,1,0,0,0,0|2,0,0]=3 134 B12R2.612 O=C1NCC2=NC(Cl)=CC=C12 YH66320 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.612 O=C1NSC2=CC(F)=CC=C12 HL3634 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 RT9247 [0,1,0,0,0,0|2,0,1]=4 138 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 LQ2688 [0,1,0,0,0,0|2,0,1]=4 139 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 JZ1733 [0,1,0,0,0,0|1,0,1]=3 140 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,1,0,0,0,0|0,0,1]=2 141 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 LQ2689 [0,1,0,0,0,0|1,0,1]=3 142 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,1,0,0,0,0|0,0,1]=2 143 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 LT0095 [0,1,0,0,0,0|1,0,1]=3 144 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,1,0,0,0,0|0,0,0]=1 145 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,1,0,0,0,0|0,0,0]=1 146 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 YH23871 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [0,0,1,0,0,0|0,0,0]=1 148 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [0,0,1,0,0,0|2,0,0]=3 149 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [0,0,1,0,0,0|2,0,1]=4 150 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [0,0,1,0,0,0|2,0,1]=4 151 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [0,0,1,0,0,0|1,0,0]=2 152 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [0,0,1,0,0,0|2,0,0]=3 153 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [0,0,1,0,0,0|2,0,0]=3 154 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [0,0,1,0,0,0|1,0,0]=2 155 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [0,0,1,0,0,0|1,0,0]=2 156 B10R1.15 COC(=O)C1=CN=CN=C1 YH55622 [0,0,1,0,0,0|2,0,0]=3 157 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [0,0,1,0,0,0|2,0,0]=3 158 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [0,0,1,0,0,0|2,0,0]=3 159 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [0,0,1,0,0,0|3,0,0]=4 160 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [0,0,1,0,0,0|2,0,0]=3 161 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [0,0,1,0,0,0|3,0,0]=4 162 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [0,0,1,0,0,0|2,0,0]=3 163 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [0,0,1,0,0,0|2,0,0]=3 164 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [0,0,1,0,0,0|3,0,0]=4 165 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [0,0,1,0,0,0|3,0,0]=4 166 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [0,0,1,0,0,0|2,0,0]=3 167 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [0,0,1,0,0,0|2,0,0]=3 168 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [0,0,1,0,0,0|1,0,0]=2 169 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [0,0,1,0,0,0|0,0,0]=1 170 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [0,0,1,0,0,0|2,0,0]=3 171 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,0,1,0,0,0|2,0,1]=4 172 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,0,1,0,0,0|1,0,1]=3 173 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,0,1,0,0,0|1,1,1]=4 174 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [0,0,1,0,0,0|1,0,1]=3 175 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [0,0,1,0,0,0|1,0,1]=3 176 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [0,0,1,0,0,0|1,0,0]=2 177 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [0,0,1,0,0,0|1,0,1]=3 178 B10R1.17 O=C\C=C\C1=CC=CN=C1 RT18185 [0,0,1,0,0,0|2,0,1]=4 179 B10R1.17 O=C\C=C\C1=CC=CN=C1 XJ5146 [0,0,1,0,0,0|2,0,1]=4 180 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [0,0,1,0,0,0|3,0,0]=4 181 B10R1.20 BrCC1=CC=CC=C1CBr RT11980 [0,0,1,0,0,0|2,0,1]=4 182 B10R1.20 C(=O)C1=C(OC)C=CC=C1 RT17703 [0,0,1,0,0,0|2,0,0]=3 183 B10R1.20 C(=O)C1=CC=CC=C1CC RT12794 [0,0,1,0,0,0|1,0,0]=2 184 B10R1.20 CCC1=C(NN)C=CC=C1 LQ5433 [0,0,1,0,0,0|3,0,0]=4 185 B10R1.20 CNC1=NC=CC=C1C=O XJ5067 [0,0,1,0,0,0|3,0,0]=4 186 B10R1.20 COC1=C(CN)C=CC=C1 JZ2995 [0,0,1,0,0,0|3,0,0]=4 187 B10R1.20 COC1=CC=CC=C1CCl YH14808 [0,0,1,0,0,0|3,0,0]=4 188 B10R1.20 COC1=CC=CN=C1C=O YH42134 [0,0,1,0,0,0|3,0,0]=4 189 B10R1.20 N#CC1=C(C=O)C=CC=C1 XJ3328 [0,0,1,0,0,0|1,0,1]=3 190 B10R1.20 N#CC1=C(CBr)C=CC=C1 LT6905 [0,0,1,0,0,0|2,0,1]=4 191 B10R1.20 N#CC1=C(CCl)C=CC=C1 HL0135 [0,0,1,0,0,0|2,0,1]=4 192 B10R1.20 NCC1=C(C=O)C=CC=N1 HL4830 [0,0,1,0,0,0|2,0,0]=3 193 B10R1.20 O=CC1=C(C=O)C=CC=C1 LT7285 [0,0,1,0,0,0|0,0,2]=3 194 B10R1.20 OCC1=CC=CC=C1CO HL0136 [0,0,1,0,0,0|0,0,2]=3 195 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [0,0,1,0,0,0|2,0,0]=3 196 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [0,0,1,0,0,0|1,0,0]=2 197 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [0,0,1,0,0,0|2,0,0]=3 198 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [0,0,1,0,0,0|2,0,0]=3 199 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [0,0,1,0,0,0|2,0,0]=3 200 B10R1.61 CC(=O)C1=CC=CN=C1C YH39691 [0,0,1,0,0,0|2,0,0]=3 201 B10R1.61 CC(=O)C1=CC=CN=C1Cl YH07033 [0,0,1,0,0,0|3,0,0]=4 202 B10R1.61 CC(=O)C1=CC=CN=C1N YH12193 [0,0,1,0,0,0|3,0,0]=4 203 B10R1.61 CC(=O)C1=NC=CC=C1F YH65591 [0,0,1,0,0,0|3,0,0]=4 204 B10R1.61 CC(=O)C1=NC=CN=C1C XJ4743 [0,0,1,0,0,0|3,0,0]=4 205 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [0,0,1,0,0,0|2,0,1]=4 206 B10R1.61 CC1=C(B(O)O)C=CC=N1 HL4849 [0,0,1,0,0,0|2,0,1]=4 207 B10R1.61 CC1=C(B(O)O)C=NC=C1 LL2253 [0,0,1,0,0,0|2,0,1]=4 208 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [0,0,1,0,0,0|0,0,0]=1 209 B10R1.61 CC1=C(C(=O)O)C=CN=C1 RT9406 [0,0,1,0,0,0|1,0,0]=2 210 B10R1.61 CC1=C(C(=O)O)C=NC=N1 HL3596 [0,0,1,0,0,0|2,0,0]=3 211 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 LT3220 [0,0,1,0,0,0|2,0,1]=4 212 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 LQ1883 [0,0,1,0,0,0|2,0,1]=4 213 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 HL3039 [0,0,1,0,0,0|2,0,1]=4 214 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [0,0,1,0,0,0|1,0,1]=3 215 B10R1.61 CC1=CC=CC=C1C(=O)Cl JZ4285 [0,0,1,0,0,0|1,0,0]=2 216 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [0,0,1,0,0,0|3,0,0]=4 217 B10R1.61 CC1=CC=CN=C1B(O)O YH96307 [0,0,1,0,0,0|2,0,1]=4 218 B10R1.61 CC1=CC=CN=C1C(=O)O LT5691 [0,0,1,0,0,0|1,0,0]=2 219 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] XJ4442 [0,0,1,0,0,0|2,0,1]=4 220 B10R1.61 CC1=NC=CC=C1C(=O)O JZ2271 [0,0,1,0,0,0|1,0,0]=2 221 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] JZ1050 [0,0,1,0,0,0|2,0,1]=4 222 B10R1.61 CC1=NC=CN=C1C(=O)O YH00415 [0,0,1,0,0,0|2,0,0]=3 223 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] RT7788 [0,0,1,0,0,0|1,0,1]=3 224 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [0,0,1,0,0,0|3,0,0]=4 225 B10R1.61 NC(=O)C1=C(N)C=CN=C1 YH16594 [0,0,1,0,0,0|3,0,0]=4 226 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [0,0,1,0,0,0|2,0,0]=3 227 B10R1.61 NC(=O)C1=NC=CC=C1N XJ5526 [0,0,1,0,0,0|3,0,0]=4 228 B10R1.61 NC1=C(C(=O)O)C=CC=C1 LT0272 [0,0,1,0,0,0|1,0,0]=2 229 B10R1.61 NC1=C(C(=O)O)C=CN=C1 YH17177 [0,0,1,0,0,0|2,0,0]=3 230 B10R1.61 NC1=C(C(=O)O)C=NC=C1 JZ3131 [0,0,1,0,0,0|2,0,0]=3 231 B10R1.61 NC1=CC=CC=C1B(O)O LT0279 [0,0,1,0,0,0|2,0,1]=4 232 B10R1.61 NC1=CC=CN=C1C(=O)O HL0849 [0,0,1,0,0,0|2,0,0]=3 233 B10R1.61 NC1=NC=CN=C1C(=O)O LT6716 [0,0,1,0,0,0|3,0,0]=4 234 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 RT7792 [0,0,1,0,0,0|3,0,0]=4 235 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 JZ1033 [0,0,1,0,0,0|2,0,0]=3 236 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 XJ1083 [0,0,1,0,0,0|2,0,0]=3 237 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl LT2133 [0,0,1,0,0,0|2,0,0]=3 238 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 LQ0495 [0,0,1,0,0,0|1,0,0]=2 239 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 XJ3548 [0,0,1,0,0,0|2,0,0]=3 240 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 XJ4919 [0,0,1,0,0,0|3,0,0]=4 241 B10R1.61 O=C(O)C1=C(F)C=CN=C1 LX2749 [0,0,1,0,0,0|2,0,0]=3 242 B10R1.61 O=C(O)C1=C(F)C=NC=C1 HL1748 [0,0,1,0,0,0|2,0,0]=3 243 B10R1.61 O=C(O)C1=C(I)C=CC=C1 LT6566 [0,0,1,0,0,0|1,0,0]=2 244 B10R1.61 O=C(O)C1=C(O)C=CC=C1 RT10607 [0,0,1,0,0,0|1,0,0]=2 245 B10R1.61 O=C(O)C1=C(O)C=CN=C1 XJ1084 [0,0,1,0,0,0|2,0,0]=3 246 B10R1.61 O=C(O)C1=CC=CC=C1Br LL0169 [0,0,1,0,0,0|1,0,0]=2 247 B10R1.61 O=C(O)C1=CC=CC=C1S LQ3223 [0,0,1,0,0,0|1,0,0]=2 248 B10R1.61 O=C(O)C1=CC=CC=C1[O-] LQ0966 [0,0,1,0,0,0|1,0,0]=2 249 B10R1.61 O=C(O)C1=CC=CN=C1Cl LT6516 [0,0,1,0,0,0|2,0,0]=3 250 B10R1.61 O=C(O)C1=CC=CN=C1F HL1749 [0,0,1,0,0,0|2,0,0]=3 251 B10R1.61 O=C(O)C1=CN=CC=C1Br YH36635 [0,0,1,0,0,0|2,0,0]=3 252 B10R1.61 O=C(O)C1=NC=CC=C1Br RT15189 [0,0,1,0,0,0|2,0,0]=3 253 B10R1.61 O=C(O)C1=NC=CC=C1Cl XJ5804 [0,0,1,0,0,0|2,0,0]=3 254 B10R1.61 O=C(O)C1=NC=CC=C1F YH36326 [0,0,1,0,0,0|2,0,0]=3 255 B10R1.61 O=C(O)C1=NC=CC=C1O XJ1437 [0,0,1,0,0,0|2,0,0]=3 256 B10R1.61 O=C(O)C1=NC=CC=C1S RT16346 [0,0,1,0,0,0|2,0,0]=3 257 B10R1.61 O=C(O)C1=NC=CN=C1O YH65414 [0,0,1,0,0,0|3,0,0]=4 258 B10R1.61 O=C([O-])C1=CC=CC=C1O HL0014 [0,0,1,0,0,0|1,0,1]=3 259 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ3839 [0,0,1,0,0,0|1,0,1]=3 260 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ5006 [0,0,1,0,0,0|1,0,1]=3 261 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ0967 [0,0,1,0,0,0|1,0,1]=3 262 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ4134 [0,0,1,0,0,0|1,0,1]=3 263 B10R1.61 O=C([O-])C1=CC=CC=C1[O-] LL1063 [0,0,1,0,0,0|1,0,1]=3 264 B10R1.61 O=C([O-])C1=NC=CC=C1Br RT16520 [0,0,1,0,0,0|2,0,1]=4 265 B10R1.61 O=N(=O)C1=CC=CC=C1O LL0174 [0,0,1,0,0,0|2,0,1]=4 266 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 JZ3833 [0,0,1,0,0,0|2,0,1]=4 267 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 LL0173 [0,0,1,0,0,0|2,0,1]=4 268 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 RT12368 [0,0,1,0,0,0|2,0,1]=4 269 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 XJ1086 [0,0,1,0,0,0|2,0,1]=4 270 B10R1.61 O=[N+]([O-])C1=C(S)C=CC=C1 YH03191 [0,0,1,0,0,0|2,0,1]=4 271 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] LQ1488 [0,0,1,0,0,0|2,0,1]=4 272 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 LT1715 [0,0,1,0,0,0|2,0,1]=4 273 B10R1.61 OB(O)C1=C(F)C=CC=C1 XJ1970 [0,0,1,0,0,0|2,0,1]=4 274 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,1,0,0|1,0,2]=4 275 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [0,0,0,0,1,0|0,0,0]=1 276 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 YH56008 [0,0,0,0,0,1|2,0,1]=4 277 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 LQ0656 [0,0,0,0,0,1|2,0,1]=4 278 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 XJ0974 [0,0,0,0,0,1|2,0,1]=4 279 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 LT6482 [0,0,0,0,0,1|2,0,1]=4 280 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 YH57423 [0,0,0,0,0,1|3,0,0]=4 281 B12R2.24 CC1=CC2=CC=CC=C2C=C1 LT6594 [0,0,0,0,0,1|2,0,1]=4 282 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HL0684 [0,0,0,0,0,1|2,0,1]=4 283 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HL0146 [0,0,0,0,0,1|3,0,0]=4 284 B12R2.24 CC1=NC2=CC=CC=C2N=N1 YH11008 [0,0,0,0,0,1|3,0,0]=4 285 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,0,0,0,0,1|2,0,1]=4 286 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 YH95514 [0,0,0,0,0,1|2,0,1]=4 287 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 HL0147 [0,0,0,0,0,1|2,0,1]=4 288 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 LT5829 [0,0,0,0,0,1|3,0,0]=4 289 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [0,0,0,0,0,1|2,0,1]=4 290 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [0,0,0,0,0,1|2,0,1]=4 291 B12R2.24 NC1=NC2=CC=CC=C2N=C1 RT2504 [0,0,0,0,0,1|3,0,0]=4 292 B12R2.24 NC1=NC2=CC=CC=C2N=N1 RT4600 [0,0,0,0,0,1|3,0,0]=4 293 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,0,0,0,0,1|2,0,1]=4 294 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,0,0,0,0,1|2,0,1]=4 295 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,0,0,0,0,1|2,0,1]=4 296 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,0,0,0,0,1|2,0,1]=4 297 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [0,0,0,0,0,1|1,0,1]=3 298 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,0,0,0,0,1|1,0,1]=3 299 B12R2.24 O=C1C=CC2=CC=NC=C2N1 CJ2926 [0,0,0,0,0,1|2,0,1]=4 300 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [0,0,0,0,0,1|2,0,0]=3 301 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,0,0,0,0,1|2,0,0]=3 302 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,0,0,0,0,1|2,0,0]=3 303 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,0,0,0,0,1|2,0,0]=3 304 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,0,0,0,0,1|1,0,1]=3 305 B12R2.24 O=N1=CC2=CC=CC=C2C=C1 LQ1854 [0,0,0,0,0,1|2,0,1]=4 306 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [0,0,0,0,0,1|1,0,2]=4 307 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [0,0,0,0,0,1|2,0,1]=4 308 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [0,0,0,0,0,1|1,0,2]=4 309 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [0,0,0,0,0,1|1,0,2]=4 310 B12R2.24 SC1=CC=C2C=CC=CC2=C1 LT1182 [0,0,0,0,0,1|1,1,1]=4 311 B12R2.24 SC1=NC2=CC=CC=C2C=C1 LT0848 [0,0,0,0,0,1|1,1,1]=4 312 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 XJ0159 [0,0,0,0,0,1|2,0,1]=4 313 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 LT0896 [0,0,0,0,0,1|2,0,1]=4 314 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 LT3154 [0,0,0,0,0,1|2,0,1]=4 315 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 LQ1853 [0,0,0,0,0,1|2,0,1]=4 316 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 LQ1749 [0,0,0,0,0,1|2,0,1]=4 317 B12R2.1081 CC1=CC=NC2=CC=CC=C12 LT5993 [0,0,0,0,0,1|2,0,1]=4 318 B12R2.1081 CC1=NC=CC2=CC=CC=C21 JZ4716 [0,0,0,0,0,1|2,0,1]=4 319 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [0,0,0,0,0,1|2,0,1]=4 320 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,0,0,0,0,1|2,0,1]=4 321 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 XJ0161 [0,0,0,0,0,1|2,0,1]=4 322 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 YH04906 [0,0,0,0,0,1|2,0,1]=4 323 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 XJ1119 [0,0,0,0,0,1|2,0,1]=4 324 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 LT0769 [0,0,0,0,0,1|2,0,1]=4 325 B12R2.1081 ClC1=NN=CC2=C1C=CC=C2 RT6316 [0,0,0,0,0,1|2,0,1]=4 326 B12R2.1081 FC1=C2C=CC=CC2=CN=C1 YH65530 [0,0,0,0,0,1|2,0,1]=4 327 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 LL0535 [0,0,0,0,0,1|2,0,1]=4 328 B12R2.1081 NC1=CC=NC2=CC=CC=C12 JZ3845 [0,0,0,0,0,1|2,0,1]=4 329 B12R2.1081 NC1=CN=CC2=CC=CC=C12 JZ5615 [0,0,0,0,0,1|2,0,1]=4 330 B12R2.1081 NC1=CN=NC2=CC=CC=C12 LX2247 [0,0,0,0,0,1|3,0,0]=4 331 B12R2.1081 NC1=NN=CC2=C1C=CC=C2 RT2049 [0,0,0,0,0,1|2,0,1]=4 332 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [0,0,0,0,0,1|2,0,1]=4 333 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [0,0,0,0,0,1|3,0,0]=4 334 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,0,0,0,0,1|2,0,1]=4 335 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,0,0,0,0,1|2,0,1]=4 336 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,0,0,0,0,1|2,0,1]=4 337 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [0,0,0,0,0,1|1,0,1]=3 338 B12R2.1081 O=C1C=CNC2=CN=CC=C12 RT9866 [0,0,0,0,0,1|2,0,1]=4 339 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,0,0,0,0,1|1,0,0]=2 340 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [0,0,0,0,0,1|2,0,0]=3 341 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [0,0,0,0,0,1|2,0,0]=3 342 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [0,0,0,0,0,1|2,0,0]=3 343 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [0,0,0,0,0,1|2,0,0]=3 344 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,0,0,0,0,1|1,0,0]=2 345 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,0,0,0,0,1|1,0,0]=2 346 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [0,0,0,0,0,1|2,0,0]=3 347 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,0,0,0,0,1|0,0,0]=1 348 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 LQ1747 [0,0,0,0,0,1|1,0,2]=4 349 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 XJ0163 [0,0,0,0,0,1|1,0,2]=4 350 B12R2.1081 OC1=CC=NC2=CC=CC=C12 LT0931 [0,0,0,0,0,1|1,0,2]=4 351 B12R2.1081 OC1=CN=CC2=CC=CC=C12 YH55078 [0,0,0,0,0,1|1,0,2]=4 352 B12R2.1081 OC1=NC=CC2=CC=CC=C21 LL0870 [0,0,0,0,0,1|1,0,2]=4 353 B12R2.1081 OC1=NC=NC2=CC=CC=C21 LL0872 [0,0,0,0,0,1|1,0,2]=4 354 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [0,0,0,0,0,1|1,0,2]=4 355 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [0,0,0,0,0,1|1,0,2]=4 356 B12R2.1081 S=C1NN=CC2=C1C=CC=C2 RT13128 [0,0,0,0,0,1|1,1,1]=4 357 B12R2.1081 SC1=C2C=CC=CC2=CC=C1 LQ0977 [0,0,0,0,0,1|1,1,1]=4 358 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,0,1,0,0,0|1,0,0]=3 359 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,0,1,0,0,0|0,0,0]=2 360 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,0,1,0,0,0|1,0,0]=3 361 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,0,1,0,0,0|1,0,0]=3 362 B9R1.6 CC(=O)C1=CN=CN=C1 RT1973 [1,0,1,0,0,0|2,0,0]=4 363 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [1,0,1,0,0,0|2,0,0]=4 364 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [1,0,1,0,0,0|1,0,1]=4 365 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [1,0,1,0,0,0|1,0,1]=4 366 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [1,0,1,0,0,0|2,0,0]=4 367 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [1,0,1,0,0,0|2,0,0]=4 368 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [1,0,1,0,0,0|1,0,1]=4 369 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [1,0,1,0,0,0|1,0,1]=4 370 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,0,1,0,0,0|0,1,0]=3 371 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [1,0,1,0,0,0|2,0,0]=4 372 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,0,1,0,0,0|1,0,0]=3 373 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,0,1,0,0,0|1,0,0]=3 374 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [1,0,1,0,0,0|2,0,0]=4 375 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [1,0,1,0,0,0|2,0,0]=4 376 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [1,0,1,0,0,0|1,1,0]=4 377 B9R1.6 O=C(Cl)C1=CC=CN=C1 JZ0788 [1,0,1,0,0,0|2,0,0]=4 378 B9R1.6 O=C(Cl)C1=CC=CN=C1 LT7313 [1,0,1,0,0,0|2,0,0]=4 379 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [1,0,1,0,0,0|2,0,0]=4 380 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,0,1,0,0,0|1,0,0]=3 381 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [1,0,1,0,0,0|1,0,0]=3 382 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [1,0,1,0,0,0|1,0,0]=3 383 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [1,0,1,0,0,0|1,0,0]=3 384 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [1,0,1,0,0,0|2,0,0]=4 385 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [1,0,1,0,0,0|2,0,0]=4 386 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [1,0,1,0,0,0|2,0,0]=4 387 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [1,0,1,0,0,0|2,0,0]=4 388 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [1,0,1,0,0,0|2,0,0]=4 389 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,0,1,0,0,0|0,0,1]=3 390 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,0,1,0,0,0|0,0,1]=3 391 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,0,1,0,0,0|0,0,1]=3 392 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,0,1,0,0,0|0,0,1]=3 393 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,0,1,0,0,0|0,0,1]=3 394 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,0,1,0,0,0|0,0,1]=3 395 B9R1.6 O=C([O-])C1=CN=CC=C1 LL1069 [1,0,1,0,0,0|1,0,1]=4 396 B9R1.6 O=C([O-])C1=CN=CC=C1 LQ0027 [1,0,1,0,0,0|1,0,1]=4 397 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [1,0,1,0,0,0|1,0,1]=4 398 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [1,0,1,0,0,0|1,0,1]=4 399 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [1,0,1,0,0,0|1,0,0]=3 400 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [1,0,1,0,0,0|1,0,1]=4 401 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [1,0,1,0,0,0|1,0,1]=4 402 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [1,0,1,0,0,0|1,0,1]=4 403 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [1,0,1,0,0,0|1,0,1]=4 404 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,0,1,0,0,0|0,0,0]=2 405 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,1,0,0,0|1,0,1]=4 406 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,1,0,0,0|1,1,0]=4 407 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,1,0,0,0|2,0,0]=4 408 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,1,0,0,0|1,0,1]=4 409 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,1,0,0,0|1,0,1]=4 410 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,1,0,0,0|1,1,0]=4 411 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,1,0,0,0|1,0,0]=3 412 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,1,0,0,0|1,0,0]=3 413 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,1,0,0,0|1,0,1]=4 414 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,1,0,0,0|1,0,1]=4 415 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,1,0,0,0|1,0,1]=4 416 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,1,0,0,0|2,0,0]=4 417 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,1,0,0,0|2,0,0]=4 418 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,1,0,0,0|1,0,0]=3 419 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,1,0,0,0|1,0,1]=4 420 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,1,0,0,0|0,0,0]=2 421 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,1,0,0,0|1,0,0]=3 422 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,1,0,0,0|0,0,0]=2 423 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,1,0,0,0|0,0,2]=4 424 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,1,0,0,0|2,0,0]=4 425 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,1,0,0,0|1,0,1]=4 426 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [1,0,1,0,0,0|2,0,0]=4 427 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [1,0,1,0,0,0|2,0,0]=4 428 B9R1.15 C#CC1=CC=CC=C1C SY0118 [1,0,1,0,0,0|1,0,1]=4 429 B9R1.15 C(=O)C1=C(Br)C=CC=N1 YH00040 [1,0,1,0,0,0|2,0,0]=4 430 B9R1.15 C(=O)C1=C(Cl)C=CC=C1 XJ0153 [1,0,1,0,0,0|1,0,0]=3 431 B9R1.15 C(=O)C1=C(F)C=CC=C1 LT6545 [1,0,1,0,0,0|1,0,0]=3 432 B9R1.15 C(=O)C1=CN=CC=C1Br YH36722 [1,0,1,0,0,0|2,0,0]=4 433 B9R1.15 C(=O)C1=CN=CC=C1Cl YH25552 [1,0,1,0,0,0|2,0,0]=4 434 B9R1.15 C=CC1=C(Br)C=CC=C1 XJ2039 [1,0,1,0,0,0|2,0,0]=4 435 B9R1.15 C=CC1=C(F)C=CC=C1 HL1763 [1,0,1,0,0,0|2,0,0]=4 436 B9R1.15 C=CC1=CC=CC=C1C XJ1115 [1,0,1,0,0,0|1,0,0]=3 437 B9R1.15 C=CC1=CC=CC=C1O RT11656 [1,0,1,0,0,0|1,0,0]=3 438 B9R1.15 CC1=C(C#N)C=CC=C1 LQ0969 [1,0,1,0,0,0|1,0,1]=4 439 B9R1.15 CC1=C(C=O)C=CC=N1 YH09284 [1,0,1,0,0,0|1,0,0]=3 440 B9R1.15 CC1=CC=CC=C1C=O LQ0970 [1,0,1,0,0,0|0,0,0]=2 441 B9R1.15 CC1=CC=CC=C1CN XJ0151 [1,0,1,0,0,0|1,0,1]=4 442 B9R1.15 CC1=CC=CN=C1C=O LX3316 [1,0,1,0,0,0|1,0,0]=3 443 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [1,0,1,0,0,0|2,0,0]=4 444 B9R1.15 CCC1=CC=CC=C1F RT10529 [1,0,1,0,0,0|2,0,0]=4 445 B9R1.15 CCC1=CC=CC=C1I XJ4411 [1,0,1,0,0,0|2,0,0]=4 446 B9R1.15 CCC1=CC=CC=C1S LT1736 [1,0,1,0,0,0|1,1,0]=4 447 B9R1.15 CNC1=CC=CC=C1C XJ1117 [1,0,1,0,0,0|2,0,0]=4 448 B9R1.15 COC1=CC=CC=C1O LT7681 [1,0,1,0,0,0|2,0,0]=4 449 B9R1.15 CSC1=CC=CC=C1C JZ4854 [1,0,1,0,0,0|2,0,0]=4 450 B9R1.15 CSC1=CC=CC=C1O JZ4356 [1,0,1,0,0,0|2,0,0]=4 451 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [1,0,1,0,0,0|2,0,0]=4 452 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [1,0,1,0,0,0|2,0,0]=4 453 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [1,0,1,0,0,0|2,0,0]=4 454 B9R1.15 FC1=CC=CC=C1CBr RT11192 [1,0,1,0,0,0|2,0,0]=4 455 B9R1.15 N#CC1=C(O)C=CC=C1 YH09892 [1,0,1,0,0,0|1,0,1]=4 456 B9R1.15 NC1=C(C=O)C=CN=C1 RT2203 [1,0,1,0,0,0|2,0,0]=4 457 B9R1.15 NC1=C(C=O)C=NC=C1 YH01035 [1,0,1,0,0,0|2,0,0]=4 458 B9R1.15 NC1=C(C=O)N=CC=C1 RT2315 [1,0,1,0,0,0|2,0,0]=4 459 B9R1.15 NC1=C(CO)C=NC=C1 HL3458 [1,0,1,0,0,0|2,0,0]=4 460 B9R1.15 NC1=CC=CC=C1CO LT2291 [1,0,1,0,0,0|1,0,0]=3 461 B9R1.15 NC1=NC=CC=C1C=O LX3234 [1,0,1,0,0,0|2,0,0]=4 462 B9R1.15 NC1=NC=CC=C1CO JZ5602 [1,0,1,0,0,0|2,0,0]=4 463 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [1,0,1,0,0,0|2,0,0]=4 464 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [1,0,1,0,0,0|2,0,0]=4 465 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [1,0,1,0,0,0|1,0,1]=4 466 B9R1.15 NCC1=CC=CC=C1Br LT0305 [1,0,1,0,0,0|2,0,0]=4 467 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [1,0,1,0,0,0|2,0,0]=4 468 B9R1.15 NCC1=CC=CNC1=O RT2213 [1,0,1,0,0,0|2,0,0]=4 469 B9R1.15 O=CC1=C(Br)C=CC=C1 LT0299 [1,0,1,0,0,0|1,0,0]=3 470 B9R1.15 O=CC1=C(Br)C=NC=C1 YH14731 [1,0,1,0,0,0|2,0,0]=4 471 B9R1.15 O=CC1=C(F)C=NC=C1 LT3415 [1,0,1,0,0,0|2,0,0]=4 472 B9R1.15 O=CC1=C(O)C=NC=C1 YH42136 [1,0,1,0,0,0|1,0,0]=3 473 B9R1.15 O=CC1=CC=CN=C1Br LQ5548 [1,0,1,0,0,0|2,0,0]=4 474 B9R1.15 O=CC1=CC=CN=C1Cl LT3322 [1,0,1,0,0,0|2,0,0]=4 475 B9R1.15 O=CC1=CC=CN=C1F LT3359 [1,0,1,0,0,0|2,0,0]=4 476 B9R1.15 O=CC1=NC=CC=C1F LQ4687 [1,0,1,0,0,0|2,0,0]=4 477 B9R1.15 O=CC1=NC=CC=C1O LX2628 [1,0,1,0,0,0|1,0,0]=3 478 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [1,0,1,0,0,0|1,0,0]=3 479 B9R1.15 OCC1=C(Cl)C=CN=C1 HL3791 [1,0,1,0,0,0|2,0,0]=4 480 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [1,0,1,0,0,0|1,0,0]=3 481 B9R1.15 OCC1=C(F)C=NC=C1 YH90998 [1,0,1,0,0,0|2,0,0]=4 482 B9R1.15 OCC1=C(F)N=CC=C1 LT3420 [1,0,1,0,0,0|2,0,0]=4 483 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [1,0,1,0,0,0|1,0,0]=3 484 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [1,0,1,0,0,0|1,0,0]=3 485 B9R1.15 OCC1=CC=NC=C1Cl YH65905 [1,0,1,0,0,0|2,0,0]=4 486 B9R1.15 OCC1=NC=CC=C1O YH34195 [1,0,1,0,0,0|1,0,1]=4 487 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [1,0,1,0,0,0|1,1,0]=4 488 B9R1.15 [O-][N+]1=CC=CC=C1CO RT9217 [1,0,1,0,0,0|1,0,1]=4 489 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [0,1,1,0,0,0|2,0,0]=4 490 B11R1.7 COP(C)(=O)C1=CC=CC=C1 JZ2962 [0,1,1,0,0,0|1,0,0]=3 491 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 JZ5229 [0,1,1,0,0,0|1,1,0]=4 492 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [0,1,1,0,0,0|0,0,2]=4 493 B11R1.12 COP(OC)C1=CC=CC=C1 JZ2190 [0,1,1,0,0,0|1,0,1]=4 494 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,1,1,0,0,0|1,0,0]=3 495 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,1,1,0,0,0|0,0,0]=2 496 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,1,1,0,0,0|0,0,0]=2 497 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,1,1,0,0,0|1,0,0]=3 498 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [0,1,1,0,0,0|2,0,0]=4 499 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [0,1,1,0,0,0|0,0,2]=4 500 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,1,1,0,0,0|1,0,0]=3 501 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [0,1,1,0,0,0|2,0,0]=4 502 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,1,1,0,0,0|0,0,0]=2 503 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,1,1,0,0,0|1,0,1]=4 504 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,1,1,0,0,0|1,0,0]=3 505 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,1,1,0,0,0|1,0,0]=3 506 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [0,1,1,0,0,0|1,0,1]=4 507 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,1,1,0,0,0|2,0,0]=4 508 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [0,1,1,0,0,0|1,0,0]=3 509 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [0,1,1,0,0,0|1,0,0]=3 510 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,1,1,0,0,0|0,0,0]=2 511 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,1,1,0,0,0|1,0,0]=3 512 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,1,1,0,0,0|0,0,0]=2 513 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 JZ0748 [0,1,1,0,0,0|1,0,0]=3 514 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,1,1,0,0,0|0,0,0]=2 515 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [0,1,1,0,0,0|1,0,0]=3 516 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,1,1,0,0,0|0,0,0]=2 517 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,1,1,0,0,0|0,0,0]=2 518 B11R1.22 COC(=O)C1=CC=C(N)N=C1 JZ1658 [0,1,1,0,0,0|1,0,0]=3 519 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,1,1,0,0,0|0,0,0]=2 520 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [0,1,1,0,0,0|1,0,0]=3 521 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,1,1,0,0,0|0,0,0]=2 522 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 LX3189 [0,1,1,0,0,0|1,0,0]=3 523 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [0,1,1,0,0,0|1,0,0]=3 524 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 YH93944 [0,1,1,0,0,0|2,0,0]=4 525 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [0,1,1,0,0,0|2,0,0]=4 526 B11R1.22 COC(=O)C1=NC=C(O)N=C1 LT5907 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [0,1,1,0,0,0|2,0,0]=4 528 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 LQ2961 [0,1,1,0,0,0|2,0,0]=4 536 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 LL0964 [0,1,1,0,0,0|2,0,0]=4 537 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 HL1818 [0,1,1,0,0,0|2,0,0]=4 538 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 XJ2875 [0,1,1,0,0,0|2,0,0]=4 539 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [0,1,1,0,0,0|2,0,0]=4 540 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,1,1,0,0,0|2,0,0]=4 541 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [0,1,1,0,0,0|2,0,0]=4 542 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [0,1,1,0,0,0|2,0,0]=4 543 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 YH04927 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [0,1,1,0,0,0|2,0,0]=4 546 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [0,1,1,0,0,0|1,0,0]=3 547 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [0,1,1,0,0,0|1,0,0]=3 548 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [0,1,1,0,0,0|1,0,0]=3 549 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 RT2023 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.23 COC(=O)C1=CC(=O)NC=N1 YH16507 [0,1,1,0,0,0|2,0,0]=4 551 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [0,1,1,0,0,0|1,0,0]=3 552 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [0,1,1,0,0,0|2,0,0]=4 553 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [0,1,1,0,0,0|1,0,0]=3 554 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [0,1,1,0,0,0|1,0,0]=3 555 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [0,1,1,0,0,0|0,0,0]=2 556 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [0,1,1,0,0,0|0,0,0]=2 557 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [0,1,1,0,0,0|0,0,0]=2 558 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [0,1,1,0,0,0|1,0,0]=3 559 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 YH50429 [0,1,1,0,0,0|1,0,0]=3 560 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 LX2859 [0,1,1,0,0,0|1,0,0]=3 561 B11R1.23 COC(=O)C1=NC(F)=CC=C1 HL1810 [0,1,1,0,0,0|1,0,0]=3 562 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [0,1,1,0,0,0|1,0,0]=3 563 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [0,1,1,0,0,0|1,0,0]=3 564 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [0,1,1,0,0,0|1,0,0]=3 565 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [0,1,1,0,0,0|2,0,0]=4 566 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [0,1,1,0,0,0|2,0,0]=4 567 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,1,1,0,0,0|1,0,0]=3 568 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [0,1,1,0,0,0|1,0,0]=3 569 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [0,1,1,0,0,0|1,0,0]=3 570 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [0,1,1,0,0,0|1,0,0]=3 571 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [0,1,1,0,0,0|2,0,0]=4 572 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [0,1,1,0,0,0|2,0,0]=4 573 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,1,1,0,0,0|2,0,0]=4 574 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,1,1,0,0,0|2,0,0]=4 575 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [0,1,1,0,0,0|1,0,0]=3 576 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [0,1,1,0,0,0|1,0,0]=3 577 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 YH05902 [0,1,1,0,0,0|1,0,0]=3 578 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [0,1,1,0,0,0|0,0,0]=2 579 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [0,1,1,0,0,0|0,0,0]=2 580 B11R1.222 COC(=O)C1=C(I)C=NC=C1 YH42716 [0,1,1,0,0,0|1,0,0]=3 581 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HL4261 [0,1,1,0,0,0|1,0,0]=3 582 B11R1.222 COC(=O)C1=C(N)N=CC=N1 LT5963 [0,1,1,0,0,0|2,0,0]=4 583 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [0,1,1,0,0,0|1,0,0]=3 584 B11R1.222 COC(=O)C1=C(O)N=CN=C1 JZ2595 [0,1,1,0,0,0|2,0,0]=4 585 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [0,1,1,0,0,0|0,0,0]=2 586 B11R1.222 COC(=O)C1=CC=CN=C1C XJ6093 [0,1,1,0,0,0|1,0,0]=3 587 B11R1.222 COC(=O)C1=CC=CN=C1F XJ0762 [0,1,1,0,0,0|1,0,0]=3 588 B11R1.222 COC(=O)C1=CC=CN=C1N LQ3812 [0,1,1,0,0,0|1,0,0]=3 589 B11R1.222 COC(=O)C1=CN=CN=C1C HL3598 [0,1,1,0,0,0|2,0,0]=4 590 B11R1.222 COC(=O)C1=NC=CC=C1C YH09125 [0,1,1,0,0,0|1,0,0]=3 591 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [0,1,1,0,0,0|1,0,0]=3 592 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [0,1,1,0,0,0|2,0,0]=4 593 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [0,1,1,0,0,0|2,0,0]=4 594 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [0,1,1,0,0,0|2,0,0]=4 595 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [0,1,1,0,0,0|2,0,0]=4 596 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [0,1,1,0,0,0|2,0,0]=4 597 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [0,1,1,0,0,0|2,0,0]=4 599 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [0,1,1,0,0,0|2,0,0]=4 600 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [0,1,1,0,0,0|2,0,0]=4 601 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [0,1,1,0,0,0|1,0,0]=3 602 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [0,1,1,0,0,0|1,0,0]=3 603 B11R1.1 O=C\C=C/C1=CC=C(F)C=C1 LQ4418 [0,1,1,0,0,0|1,0,1]=4 604 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 CJ3237 [0,1,1,0,0,0|1,0,1]=4 605 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 RT17701 [0,1,1,0,0,0|1,0,1]=4 606 B11R1.17 O=C\C=C\C1=CC=CC=C1Br HL3477 [0,1,1,0,0,0|1,0,1]=4 607 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl HL3476 [0,1,1,0,0,0|1,0,1]=4 608 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl XJ1942 [0,1,1,0,0,0|1,0,1]=4 609 B11R1.17 O=C\C=C\C1=CC=CC=C1F LL2290 [0,1,1,0,0,0|1,0,1]=4 610 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [0,1,1,0,0,0|1,0,1]=4 611 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [0,1,1,0,0,0|1,0,1]=4 612 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [0,1,1,0,0,0|1,0,1]=4 613 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [0,1,1,0,0,0|1,0,1]=4 614 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [0,1,1,0,0,0|0,0,0]=2 615 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [0,1,1,0,0,0|0,0,2]=4 616 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,1,1,0,0,0|1,0,1]=4 617 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 XJ4438 [0,1,1,0,0,0|1,0,1]=4 618 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [0,1,1,0,0,0|1,0,1]=4 619 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,1,1,0,0,0|1,0,0]=3 620 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,1,1,0,0,0|2,0,0]=4 622 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,1,1,0,0,0|1,1,0]=4 623 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,1,1,0,0,0|2,0,0]=4 624 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [0,1,1,0,0,0|2,0,0]=4 625 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,1,1,0,0,0|0,0,0]=2 626 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,1,1,0,0,0|1,0,1]=4 627 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,1,1,0,0,0|1,1,0]=4 628 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,1,1,0,0,0|1,0,0]=3 629 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [0,1,1,0,0,0|1,0,1]=4 630 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [0,1,1,0,0,0|1,0,1]=4 631 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,1,1,0,0,0|2,0,0]=4 632 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [0,1,1,0,0,0|1,0,1]=4 633 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [0,1,1,0,0,0|1,0,1]=4 634 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,1,1,0,0,0|2,0,0]=4 635 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [0,1,1,0,0,0|1,0,1]=4 636 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [0,1,1,0,0,0|1,0,1]=4 637 B11R1.37 COC1=C(C=O)C=CC(F)=C1 XJ0780 [0,1,1,0,0,0|2,0,0]=4 638 B11R1.37 COC1=C(C=O)C=CC(O)=C1 LT2826 [0,1,1,0,0,0|2,0,0]=4 639 B11R1.37 COC1=CC(C)=CC=C1C=O YH07924 [0,1,1,0,0,0|2,0,0]=4 640 B11R1.37 COC1=CC=C(Br)C=C1C=O LQ4471 [0,1,1,0,0,0|2,0,0]=4 641 B11R1.37 COC1=CC=C(F)C=C1C=O XJ4487 [0,1,1,0,0,0|2,0,0]=4 642 B11R1.41 CCOC1=CC=CC=C1CO XJ6252 [0,1,1,0,0,0|1,0,1]=4 643 B11R1.41 COC1=CC=CC=C1CC=O LQ4766 [0,1,1,0,0,0|2,0,0]=4 644 B11R1.41 O=CC1=C(CCBr)C=CC=C1 YH47917 [0,1,1,0,0,0|1,0,0]=3 645 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 YH55244 [0,1,1,0,0,0|1,0,1]=4 646 B11R1.53 C=CC1=CC=CC=C1C(=O)[O-] HL0409 [0,1,1,0,0,0|1,0,1]=4 647 B11R1.53 CNC1=CC=CC=C1C(=O)O LQ0517 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.53 COC1=C(C(=O)O)C=CC=C1 XJ0973 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.53 COC1=CC=CC=C1C(N)=O LT1774 [0,1,1,0,0,0|2,0,0]=4 650 B11R1.53 NNC1=CC=CC=C1C(=O)O JZ0801 [0,1,1,0,0,0|2,0,0]=4 651 B11R1.53 O=C(Cl)C1=CC=CC=C1CCl LQ5091 [0,1,1,0,0,0|1,0,0]=3 652 B11R1.53 O=C(O)C1=CC=CC=C1CBr HL4661 [0,1,1,0,0,0|1,0,0]=3 653 B11R1.53 O=C(O)C1=CC=CC=C1CBr YH15164 [0,1,1,0,0,0|1,0,0]=3 654 B11R1.53 O=C(O)C1=CC=CC=C1CCl HL4793 [0,1,1,0,0,0|1,0,0]=3 655 B11R1.53 O=CC1=C(B(O)O)C=CC=C1 SY0230 [0,1,1,0,0,0|1,0,0]=3 656 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] JZ0434 [0,1,1,0,0,0|1,0,1]=4 657 B11R1.53 OCC1=C(B(O)O)C=CC=C1 LL1607 [0,1,1,0,0,0|1,0,1]=4 658 B11R1.265 CC1=C(C=O)C(C#N)=CC=C1 LT7908 [0,1,1,0,0,0|1,0,1]=4 659 B11R1.265 COC1=C(C=O)C(O)=CC=C1 JZ4100 [0,1,1,0,0,0|2,0,0]=4 660 B11R1.265 COC1=CC=CC(F)=C1C=O HL3523 [0,1,1,0,0,0|2,0,0]=4 661 B11R1.265 CSC1=C(CO)C(Cl)=CC=C1 RT12979 [0,1,1,0,0,0|2,0,0]=4 662 B11R1.87 O=S(=O)(O)C1=C(Cl)C=CC=C1 YH51533 [0,1,1,0,0,0|2,0,0]=4 663 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F XJ6510 [0,1,1,0,0,0|2,0,0]=4 664 B11R1.156 CC(=O)C1=C(F)C=CC=C1F JZ4800 [0,1,1,0,0,0|2,0,0]=4 665 B11R1.156 CC(=O)C1=C(F)C=CC=C1O XJ6632 [0,1,1,0,0,0|2,0,0]=4 666 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 LT1967 [0,1,1,0,0,0|0,0,0]=2 667 B11R1.156 CC1=C([N+](=O)[O-])C(O)=CC=C1 RT6279 [0,1,1,0,0,0|1,0,1]=4 668 B11R1.156 CC1=CC=CC(C)=C1B(O)O XJ6757 [0,1,1,0,0,0|1,0,1]=4 669 B11R1.156 CC1=CC=CC(C)=C1C(=O)O LQ1302 [0,1,1,0,0,0|0,0,0]=2 670 B11R1.156 CC1=CC=CC(F)=C1C(=O)O HL4871 [0,1,1,0,0,0|0,0,0]=2 671 B11R1.156 CC1=CC=CC(F)=C1[N+](=O)[O-] YH52883 [0,1,1,0,0,0|1,0,1]=4 672 B11R1.156 CC1=CC=CC(N)=C1C(=O)O JZ2518 [0,1,1,0,0,0|0,0,0]=2 673 B11R1.156 CC1=NC=CC(C)=C1C(=O)O YH06860 [0,1,1,0,0,0|1,0,0]=3 674 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O LX3014 [0,1,1,0,0,0|1,0,0]=3 675 B11R1.156 CC1=NC=NC(C)=C1C(=O)O HL3597 [0,1,1,0,0,0|2,0,0]=4 676 B11R1.156 NC(=O)C1=C(Cl)C=CC=C1Cl XJ1986 [0,1,1,0,0,0|2,0,0]=4 677 B11R1.156 NC(=O)C1=C(F)C=CC=C1F LT2216 [0,1,1,0,0,0|2,0,0]=4 678 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O LQ2094 [0,1,1,0,0,0|1,0,0]=3 679 B11R1.156 NC1=CC=CC(F)=C1C(=O)O LX2855 [0,1,1,0,0,0|1,0,0]=3 680 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl LQ2722 [0,1,1,0,0,0|2,0,0]=4 681 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Br YH65618 [0,1,1,0,0,0|2,0,0]=4 682 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Cl LT1699 [0,1,1,0,0,0|2,0,0]=4 683 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1I LL1917 [0,1,1,0,0,0|2,0,0]=4 684 B11R1.156 O=C(O)C1=C(Br)C=NC=C1Br LQ3705 [0,1,1,0,0,0|2,0,0]=4 685 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Br XJ6625 [0,1,1,0,0,0|1,0,0]=3 686 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl HL1052 [0,1,1,0,0,0|1,0,0]=3 687 B11R1.156 O=C(O)C1=C(F)C=CC=C1Br CJ2844 [0,1,1,0,0,0|1,0,0]=3 688 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl LL0816 [0,1,1,0,0,0|1,0,0]=3 689 B11R1.156 O=C(O)C1=C(F)C=CC=C1O CJ3041 [0,1,1,0,0,0|1,0,0]=3 690 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 LL2344 [0,1,1,0,0,0|2,0,0]=4 691 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 XJ4433 [0,1,1,0,0,0|2,0,0]=4 692 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 LL1297 [0,1,1,0,0,0|2,0,0]=4 693 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 LT6157 [0,1,1,0,0,0|2,0,0]=4 694 B11R1.159 CC(=O)C1=CC=CC(C)=C1N YH05913 [0,1,1,0,0,0|2,0,0]=4 695 B11R1.159 CC(=O)C1=CC=CC(C)=C1O YH14631 [0,1,1,0,0,0|2,0,0]=4 696 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1Cl LQ5361 [0,1,1,0,0,0|2,0,0]=4 697 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F LL2343 [0,1,1,0,0,0|2,0,0]=4 698 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O RT6217 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br RT11196 [0,1,1,0,0,0|0,0,0]=2 700 B11R1.159 CC1=C(C(=O)O)C=CC=C1F YH14630 [0,1,1,0,0,0|0,0,0]=2 701 B11R1.159 CC1=C(C(=O)O)C=CC=C1N LT2464 [0,1,1,0,0,0|0,0,0]=2 702 B11R1.159 CC1=C(C(=O)O)C=CC=C1O JZ3890 [0,1,1,0,0,0|0,0,0]=2 703 B11R1.159 CC1=C(F)C=CC=C1[N+](=O)[O-] LT1577 [0,1,1,0,0,0|1,0,1]=4 704 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [0,1,1,0,0,0|1,0,0]=3 705 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 LX3202 [0,1,1,0,0,0|2,0,0]=4 706 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [0,1,1,0,0,0|1,0,0]=3 707 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1N JZ0126 [0,1,1,0,0,0|1,0,1]=4 708 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1N LT2308 [0,1,1,0,0,0|1,0,1]=4 709 B11R1.159 CC1=CC=CC(B(O)O)=C1C LT0092 [0,1,1,0,0,0|1,0,1]=4 710 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C JZ5449 [0,1,1,0,0,0|1,0,0]=3 711 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [0,1,1,0,0,0|1,0,0]=3 712 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [0,1,1,0,0,0|1,0,0]=3 713 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 YH15128 [0,1,1,0,0,0|2,0,0]=4 714 B11R1.159 NC(=O)C1=CC=CC(N)=C1N YH66480 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.159 NC(=O)C1=CC=CC(O)=C1O RT11182 [0,1,1,0,0,0|2,0,0]=4 716 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br LX2293 [0,1,1,0,0,0|1,0,0]=3 717 B11R1.159 NC1=C(C(=O)O)C=CC=C1F YH88243 [0,1,1,0,0,0|1,0,0]=3 718 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HL1999 [0,1,1,0,0,0|1,0,0]=3 719 B11R1.159 NC1=CC=CC(C(=O)O)=C1F LX3096 [0,1,1,0,0,0|1,0,0]=3 720 B11R1.159 NC1=CC=CC(C(=O)O)=C1N JZ3891 [0,1,1,0,0,0|1,0,0]=3 721 B11R1.159 O=C(Cl)C1=C(F)C(Cl)=CC=C1 HL4768 [0,1,1,0,0,0|2,0,0]=4 722 B11R1.159 O=C(Cl)C1=C(F)C(F)=CC=C1 XJ4431 [0,1,1,0,0,0|2,0,0]=4 723 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 YH31972 [0,1,1,0,0,0|1,0,0]=3 724 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 HL1046 [0,1,1,0,0,0|1,0,0]=3 725 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 YH65894 [0,1,1,0,0,0|2,0,0]=4 726 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CJ3147 [0,1,1,0,0,0|1,0,0]=3 727 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 LL2342 [0,1,1,0,0,0|1,0,0]=3 728 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 YH58619 [0,1,1,0,0,0|1,0,0]=3 729 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 LQ0677 [0,1,1,0,0,0|1,0,0]=3 730 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 LT0082 [0,1,1,0,0,0|1,0,0]=3 731 B11R1.159 O=C(O)C1=CC=CC(=O)N1O LX2189 [0,1,1,0,0,0|2,0,0]=4 732 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl YH07680 [0,1,1,0,0,0|1,0,0]=3 733 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br YH07679 [0,1,1,0,0,0|1,0,0]=3 734 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl HL3142 [0,1,1,0,0,0|1,0,0]=3 735 B11R1.159 O=C(O)C1=CC=CC(F)=C1F YH02098 [0,1,1,0,0,0|1,0,0]=3 736 B11R1.159 O=C(O)C1=CC=CC(F)=C1I LX2296 [0,1,1,0,0,0|1,0,0]=3 737 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl YH98254 [0,1,1,0,0,0|2,0,0]=4 738 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 HL0592 [0,1,1,0,0,0|2,0,0]=4 739 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 LX2629 [0,1,1,0,0,0|2,0,0]=4 740 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 YH65890 [0,1,1,0,0,0|2,0,0]=4 741 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 YH65861 [0,1,1,0,0,0|2,0,0]=4 742 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 LL0744 [0,1,1,0,0,0|2,0,0]=4 743 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 HL0874 [0,1,1,0,0,0|2,0,0]=4 744 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Br LX2251 [0,1,1,0,0,0|2,0,0]=4 745 B11R1.166 CC(=O)C1=CC=C(C)C=C1O YH14255 [0,1,1,0,0,0|2,0,0]=4 746 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br YH88248 [0,1,1,0,0,0|2,0,0]=4 747 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F LL2461 [0,1,1,0,0,0|2,0,0]=4 748 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br YH10272 [0,1,1,0,0,0|2,0,0]=4 749 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl XJ6151 [0,1,1,0,0,0|2,0,0]=4 750 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl YH00402 [0,1,1,0,0,0|2,0,0]=4 751 B11R1.166 CC(=O)C1=CC=C(O)C=C1F YH98787 [0,1,1,0,0,0|2,0,0]=4 752 B11R1.166 CC(=O)C1=CC=C(O)C=C1O RT11977 [0,1,1,0,0,0|2,0,0]=4 753 B11R1.166 CC1=C(B(O)O)C=CC(F)=C1 LL2171 [0,1,1,0,0,0|1,0,1]=4 754 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 LX3005 [0,1,1,0,0,0|1,0,0]=3 755 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Cl)=C1 XJ2888 [0,1,1,0,0,0|1,0,1]=4 756 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 RT6336 [0,1,1,0,0,0|1,0,1]=4 757 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 LT3053 [0,1,1,0,0,0|1,0,1]=4 758 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [0,1,1,0,0,0|1,0,0]=3 759 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [0,1,1,0,0,0|1,0,0]=3 760 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [0,1,1,0,0,0|0,0,0]=2 761 B11R1.166 CC1=CC(F)=CC=C1[N+](=O)[O-] XJ0765 [0,1,1,0,0,0|1,0,1]=4 762 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.166 CC1=CC(O)=C(C(N)=O)C=C1 LT2462 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.166 CC1=CC(O)=CC=C1B(O)O LL2867 [0,1,1,0,0,0|1,0,1]=4 765 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [0,1,1,0,0,0|1,0,0]=3 766 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [0,1,1,0,0,0|1,0,0]=3 767 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 LT0244 [0,1,1,0,0,0|2,0,0]=4 768 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [0,1,1,0,0,0|1,0,0]=3 769 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl XJ2193 [0,1,1,0,0,0|2,0,0]=4 770 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [0,1,1,0,0,0|1,0,0]=3 771 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [0,1,1,0,0,0|1,0,0]=3 772 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [0,1,1,0,0,0|1,0,0]=3 773 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 XJ2208 [0,1,1,0,0,0|1,0,0]=3 774 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 XJ0046 [0,1,1,0,0,0|1,0,0]=3 775 B11R1.166 NC1=CC=C(C(=O)O)C(F)=C1 LX3182 [0,1,1,0,0,0|1,0,0]=3 776 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 HL3362 [0,1,1,0,0,0|1,0,1]=4 777 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 JZ3312 [0,1,1,0,0,0|1,0,1]=4 778 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 LL0519 [0,1,1,0,0,0|1,0,1]=4 779 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 LQ0597 [0,1,1,0,0,0|1,0,1]=4 780 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 XJ1113 [0,1,1,0,0,0|1,0,0]=3 781 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [0,1,1,0,0,0|1,0,0]=3 782 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 RT11949 [0,1,1,0,0,0|1,0,0]=3 783 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 HL1032 [0,1,1,0,0,0|1,0,0]=3 784 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 YH07341 [0,1,1,0,0,0|1,0,0]=3 785 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 RT12288 [0,1,1,0,0,0|1,0,0]=3 786 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 XJ0764 [0,1,1,0,0,0|1,0,0]=3 787 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 YH89414 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 LT2788 [0,1,1,0,0,0|1,0,0]=3 789 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [0,1,1,0,0,0|1,0,0]=3 790 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O HL0984 [0,1,1,0,0,0|1,0,0]=3 791 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl LQ4961 [0,1,1,0,0,0|2,0,0]=4 792 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [0,1,1,0,0,0|1,0,0]=3 793 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br YH51932 [0,1,1,0,0,0|1,0,0]=3 794 B11R1.166 O=C(O)C1=CC=C(I)C=C1F LL2023 [0,1,1,0,0,0|1,0,0]=3 795 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl RT11083 [0,1,1,0,0,0|1,0,0]=3 796 B11R1.166 O=C(O)C1=CC=C(S)C=C1Br RT13176 [0,1,1,0,0,0|1,0,0]=3 797 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl HL4459 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl YH27314 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl YH19973 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 XJ0758 [0,1,1,0,0,0|2,0,0]=4 801 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 XJ1781 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 LT3535 [0,1,1,0,0,0|2,0,0]=4 803 B11R1.167 CC(=O)C1=CC(C)=CC=C1O XJ1779 [0,1,1,0,0,0|2,0,0]=4 804 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl HL2255 [0,1,1,0,0,0|2,0,0]=4 805 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1N YH39071 [0,1,1,0,0,0|2,0,0]=4 806 B11R1.167 CC(=O)C1=CC(F)=CC=C1Cl JZ2207 [0,1,1,0,0,0|2,0,0]=4 807 B11R1.167 CC(=O)C1=CC(F)=CC=C1I LX2394 [0,1,1,0,0,0|2,0,0]=4 808 B11R1.167 CC(=O)C1=CC(O)=CC=C1O LL0869 [0,1,1,0,0,0|2,0,0]=4 809 B11R1.167 CC1=C(B(O)O)C=C(F)C=C1 LL2387 [0,1,1,0,0,0|1,0,1]=4 810 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 LX2060 [0,1,1,0,0,0|0,0,0]=2 811 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 XJ5704 [0,1,1,0,0,0|0,0,0]=2 812 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 LQ2276 [0,1,1,0,0,0|0,0,0]=2 813 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CJ2738 [0,1,1,0,0,0|0,0,0]=2 814 B11R1.167 CC1=C([N+](=O)[O-])C=C(N)C=C1 JZ0671 [0,1,1,0,0,0|1,0,1]=4 815 B11R1.167 CC1=CC(B(O)O)=C(C)C=C1 LT0159 [0,1,1,0,0,0|1,0,1]=4 816 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 XJ3183 [0,1,1,0,0,0|1,0,0]=3 817 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 XJ0662 [0,1,1,0,0,0|1,0,0]=3 818 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 YH05261 [0,1,1,0,0,0|1,0,0]=3 819 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] LT2737 [0,1,1,0,0,0|1,0,1]=4 820 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=C1 LQ3105 [0,1,1,0,0,0|1,0,0]=3 821 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O RT8677 [0,1,1,0,0,0|1,0,0]=3 822 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 YH00062 [0,1,1,0,0,0|2,0,0]=4 823 B11R1.167 CC1=CC=C(N)C=C1C(=O)O LT5979 [0,1,1,0,0,0|0,0,0]=2 824 B11R1.167 CC1=CC=[N+](C)C=C1C(N)=O LL1890 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.167 N=C1C=CC(=O)C(C(=O)O)=C1 RT11743 [0,1,1,0,0,0|1,0,0]=3 826 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=C1 LT0249 [0,1,1,0,0,0|2,0,0]=4 827 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1F LL2689 [0,1,1,0,0,0|2,0,0]=4 828 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1O LT3548 [0,1,1,0,0,0|2,0,0]=4 829 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 LX3311 [0,1,1,0,0,0|2,0,0]=4 830 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 LT0252 [0,1,1,0,0,0|1,0,0]=3 831 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 HL1758 [0,1,1,0,0,0|1,0,0]=3 832 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O LT0246 [0,1,1,0,0,0|1,0,0]=3 833 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O YH90773 [0,1,1,0,0,0|2,0,0]=4 834 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 RT11771 [0,1,1,0,0,0|1,0,0]=3 835 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O JZ1003 [0,1,1,0,0,0|2,0,0]=4 836 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O YH05416 [0,1,1,0,0,0|2,0,0]=4 837 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(Cl)=C1 LQ2351 [0,1,1,0,0,0|2,0,0]=4 838 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(F)=C1 JZ5450 [0,1,1,0,0,0|2,0,0]=4 839 B11R1.167 O=C(Cl)C1=C(F)C=CC(Cl)=C1 HL1756 [0,1,1,0,0,0|2,0,0]=4 840 B11R1.167 O=C(Cl)C1=C(F)C=CC(F)=C1 LQ4861 [0,1,1,0,0,0|2,0,0]=4 841 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 YH09854 [0,1,1,0,0,0|1,0,0]=3 842 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 LQ4295 [0,1,1,0,0,0|1,0,0]=3 843 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 HL1755 [0,1,1,0,0,0|1,0,0]=3 844 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 JZ5666 [0,1,1,0,0,0|1,0,0]=3 845 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 LQ4294 [0,1,1,0,0,0|1,0,0]=3 846 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 HL1034 [0,1,1,0,0,0|1,0,0]=3 847 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 LQ1933 [0,1,1,0,0,0|2,0,0]=4 848 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 YH35267 [0,1,1,0,0,0|1,0,0]=3 849 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 LQ5175 [0,1,1,0,0,0|1,0,0]=3 850 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 LQ4296 [0,1,1,0,0,0|1,0,0]=3 851 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 XJ3893 [0,1,1,0,0,0|1,0,0]=3 852 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 LQ0504 [0,1,1,0,0,0|1,0,0]=3 853 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 LT0154 [0,1,1,0,0,0|1,0,0]=3 854 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O YH22672 [0,1,1,0,0,0|2,0,0]=4 855 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl YH09173 [0,1,1,0,0,0|2,0,0]=4 856 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl LQ4919 [0,1,1,0,0,0|2,0,0]=4 857 B11R1.167 O=C(O)C1=CC(F)=CN=C1F YH89730 [0,1,1,0,0,0|2,0,0]=4 858 B11R1.167 O=C(O)C1=CC(F)=CN=C1O YH92224 [0,1,1,0,0,0|2,0,0]=4 859 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl YH43007 [0,1,1,0,0,0|1,0,0]=3 860 B11R1.167 O=C(O)C1=CC(I)=CC=C1I YH34226 [0,1,1,0,0,0|1,0,0]=3 861 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl LT4622 [0,1,1,0,0,0|2,0,0]=4 862 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O LX3018 [0,1,1,0,0,0|1,0,1]=4 863 B11R2.10 CC1=CC2=CC=CC=C2N1 LQ0261 [1,1,0,0,0,0|2,0,0]=4 864 B11R2.10 CC1=CC2=CC=CC=C2O1 LQ2633 [1,1,0,0,0,0|2,0,0]=4 865 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [1,1,0,0,0,0|2,0,0]=4 866 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [1,1,0,0,0,0|2,0,0]=4 867 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [1,1,0,0,0,0|2,0,0]=4 868 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [1,1,0,0,0,0|1,0,1]=4 869 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [1,1,0,0,0,0|1,0,1]=4 870 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [1,1,0,0,0,0|2,0,0]=4 871 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [1,1,0,0,0,0|1,0,1]=4 872 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [1,1,0,0,0,0|2,0,0]=4 873 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [1,1,0,0,0,0|1,0,1]=4 874 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 YH19296 [1,1,0,0,0,0|2,0,0]=4 875 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH30587 [1,1,0,0,0,0|1,0,1]=4 876 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH95781 [1,1,0,0,0,0|1,0,1]=4 877 B11R2.36 BrC1=CC2=C(C=C1)NCC2 JZ5527 [1,1,0,0,0,0|2,0,0]=4 878 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 RT8282 [1,1,0,0,0,0|2,0,0]=4 879 B11R2.36 BrC1=CC=C2CCNC2=C1 LX2857 [1,1,0,0,0,0|2,0,0]=4 880 B11R2.36 BrC1=CC=C2NC=CC2=C1 CJ2745 [1,1,0,0,0,0|2,0,0]=4 881 B11R2.36 BrC1=CC=C2NN=CC2=C1 LQ5299 [1,1,0,0,0,0|2,0,0]=4 882 B11R2.36 BrC1=CC=C2OC=CC2=C1 LQ4381 [1,1,0,0,0,0|2,0,0]=4 883 B11R2.36 BrC1=CC=C2SC=CC2=C1 LT0700 [1,1,0,0,0,0|2,0,0]=4 884 B11R2.36 CC1=CC2=C(C=C1)NCC2 YH12422 [1,1,0,0,0,0|2,0,0]=4 885 B11R2.36 CC1=CC=C2NC=CC2=C1 HL0196 [1,1,0,0,0,0|2,0,0]=4 886 B11R2.36 ClC1=CC2=C(C=C1)NCC2 XJ4859 [1,1,0,0,0,0|2,0,0]=4 887 B11R2.36 ClC1=CC=C2NC=CC2=C1 LT3231 [1,1,0,0,0,0|2,0,0]=4 888 B11R2.36 ClC1=CC=C2NN=CC2=C1 YH14553 [1,1,0,0,0,0|2,0,0]=4 889 B11R2.36 FC1=CC2=C(C=C1)CCC2 RT10570 [1,1,0,0,0,0|1,0,1]=4 890 B11R2.36 FC1=CC2=C(C=C1)NN=C2 LQ0710 [1,1,0,0,0,0|2,0,0]=4 891 B11R2.36 FC1=CC=C2C=CNC2=C1 HL1788 [1,1,0,0,0,0|2,0,0]=4 892 B11R2.36 FC1=CC=C2CNCC2=C1 YH08025 [1,1,0,0,0,0|1,0,1]=4 893 B11R2.36 FC1=CC=C2NC=CC2=C1 LQ0746 [1,1,0,0,0,0|2,0,0]=4 894 B11R2.36 FC1=CC=C2OCCC2=C1 HL3917 [1,1,0,0,0,0|2,0,0]=4 895 B11R2.36 IC1=CC2=C(C=C1)C=NN2 YH50414 [1,1,0,0,0,0|2,0,0]=4 896 B11R2.36 IC1=CC2=C(C=C1)NN=C2 YH07148 [1,1,0,0,0,0|2,0,0]=4 897 B11R2.36 NC1=CC2=C(C=C1)CCC2 YH49019 [1,1,0,0,0,0|1,0,1]=4 898 B11R2.36 NC1=CC2=C(C=C1)COC2 YH10378 [1,1,0,0,0,0|0,0,1]=3 899 B11R2.36 NC1=CC=C2C=CNC2=C1 JZ2706 [1,1,0,0,0,0|2,0,0]=4 900 B11R2.36 NC1=CC=C2C=NNC2=C1 XJ3181 [1,1,0,0,0,0|2,0,0]=4 901 B11R2.36 NC1=CC=C2CCNC2=C1 YH51733 [1,1,0,0,0,0|2,0,0]=4 902 B11R2.36 NC1=CC=C2NC=CC2=C1 LQ2833 [1,1,0,0,0,0|2,0,0]=4 903 B11R2.36 NC1=CC=C2NN=CC2=C1 JZ5353 [1,1,0,0,0,0|2,0,0]=4 904 B11R2.36 OC1=CC2=C(C=C1)CCN2 YH01995 [1,1,0,0,0,0|2,0,0]=4 905 B11R2.36 OC1=CC2=C(C=C1)CNC2 YH66673 [1,1,0,0,0,0|1,0,1]=4 906 B11R2.36 OC1=CC=C2C=CNC2=C1 LQ2181 [1,1,0,0,0,0|2,0,0]=4 907 B11R2.36 OC1=CC=C2NC=CC2=C1 JZ1816 [1,1,0,0,0,0|2,0,0]=4 908 B11R2.36 OC1=CC=C2NN=CC2=C1 LQ3862 [1,1,0,0,0,0|2,0,0]=4 909 B11R2.36 OC1=CC=C2OC=CC2=C1 YH31792 [1,1,0,0,0,0|2,0,0]=4 910 B11R2.106 BrC1=C2C=CNC2=CC=C1 XJ5630 [1,1,0,0,0,0|2,0,0]=4 911 B11R2.106 BrC1=C2C=COC2=CC=C1 RT8610 [1,1,0,0,0,0|2,0,0]=4 912 B11R2.106 BrC1=C2C=NNC2=CC=C1 HL3747 [1,1,0,0,0,0|2,0,0]=4 913 B11R2.106 BrC1=C2NC=CC2=CC=C1 LT3613 [1,1,0,0,0,0|2,0,0]=4 914 B11R2.106 BrC1=C2OC=CC2=CC=C1 YH32237 [1,1,0,0,0,0|2,0,0]=4 915 B11R2.106 BrC1=CC=CC2=C1C=CS2 LT0676 [1,1,0,0,0,0|2,0,0]=4 916 B11R2.106 BrC1=CC=CC2=C1CC=C2 YH65705 [1,1,0,0,0,0|1,0,0]=3 917 B11R2.106 BrC1=CC=CC2=C1CCO2 RT9936 [1,1,0,0,0,0|2,0,0]=4 918 B11R2.106 CC1=CC=CC2=C1C=CC2 YH16258 [1,1,0,0,0,0|1,0,0]=3 919 B11R2.106 CC1=CC=CC2=C1C=CN2 XJ4238 [1,1,0,0,0,0|2,0,0]=4 920 B11R2.106 CC1=CC=CC2=C1NC=C2 LT3620 [1,1,0,0,0,0|2,0,0]=4 921 B11R2.106 ClC1=C2C=CNC2=CC=C1 JZ5661 [1,1,0,0,0,0|2,0,0]=4 922 B11R2.106 ClC1=C2C=CSC2=CC=C1 YH65028 [1,1,0,0,0,0|2,0,0]=4 923 B11R2.106 ClC1=C2NC=CC2=CC=C1 LT3615 [1,1,0,0,0,0|2,0,0]=4 924 B11R2.106 FC1=C2C=CNC2=CC=C1 HL1724 [1,1,0,0,0,0|2,0,0]=4 925 B11R2.106 FC1=C2NC=CC2=CC=C1 YH58579 [1,1,0,0,0,0|2,0,0]=4 926 B11R2.106 FC1=CC=CC2=C1CCN2 YH65847 [1,1,0,0,0,0|2,0,0]=4 927 B11R2.106 NC1=C2C=CNC2=CC=C1 LT2400 [1,1,0,0,0,0|2,0,0]=4 928 B11R2.106 NC1=C2C=COC2=CC=C1 YH66291 [1,1,0,0,0,0|2,0,0]=4 929 B11R2.106 NC1=CC=CC2=C1C=CN2 RT10654 [1,1,0,0,0,0|2,0,0]=4 930 B11R2.106 OC1=C2C=CNC2=CC=C1 RT14408 [1,1,0,0,0,0|2,0,0]=4 931 B11R2.106 OC1=C2CCOC2=CC=C1 YH34935 [1,1,0,0,0,0|2,0,0]=4 932 B11R2.106 OC1=C2NC=CC2=CC=C1 LT3618 [1,1,0,0,0,0|2,0,0]=4 933 B11R2.106 OC1=CC=CC2=C1CC=C2 RT6145 [1,1,0,0,0,0|1,0,0]=3 934 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 XJ0056 [0,1,0,0,0,1|1,0,1]=4 935 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 LT6847 [0,1,0,0,0,1|2,0,0]=4 936 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 LT6065 [0,1,0,0,0,1|1,0,1]=4 937 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 YH47330 [0,1,0,0,0,1|1,0,0]=3 938 B13R2.155 NC1=CC2=C(C=CC(=O)O2)C=C1 RT3068 [0,1,0,0,0,1|1,0,1]=4 939 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 YH47683 [0,1,0,0,0,1|1,0,1]=4 940 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 LX2615 [0,1,0,0,0,1|1,0,1]=4 941 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 LT3830 [0,1,0,0,0,1|1,0,1]=4 942 B13R2.155 O=C1C=NC2=CC=C(Br)C=C2N1 YH88068 [0,1,0,0,0,1|2,0,0]=4 943 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 YH31825 [0,1,0,0,0,1|1,0,0]=3 944 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 LX3219 [0,1,0,0,0,1|1,0,0]=3 945 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 LT1035 [0,1,0,0,0,1|1,0,0]=3 946 B13R2.155 O=C1COC2=CC=C(Br)C=C2N1 XJ4779 [0,1,0,0,0,1|2,0,0]=4 947 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 YH15444 [0,1,0,0,0,1|1,0,1]=4 948 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 YH34548 [0,1,0,0,0,1|1,0,0]=3 949 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 JZ3930 [0,1,0,0,0,1|1,0,1]=4 950 B13R2.328 O=C1N=C(Cl)C2=C(C=CC=C2)N1 RT8775 [0,1,0,0,0,1|1,0,1]=4 951 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 YH90958 [0,1,0,0,0,1|1,0,1]=4 952 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 XJ2030 [0,1,0,0,0,1|1,0,1]=4 953 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [0,1,0,0,0,1|0,0,1]=3 954 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br JZ4319 [0,1,0,0,0,1|1,0,1]=4 955 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl HL1184 [0,1,0,0,0,1|1,0,1]=4 956 B13R2.369 O=C1OC2=CC=CC=C2C=C1O LT6806 [0,1,0,0,0,1|1,0,1]=4 957 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 JZ0660 [0,1,0,0,0,1|1,0,1]=4 958 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 RT7720 [0,1,0,0,0,1|1,0,1]=4 959 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 RT14111 [0,1,0,0,0,1|1,0,1]=4 960 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 YH43343 [0,1,0,0,0,1|1,0,0]=3 961 B13R2.3683 O=C1CCC2=C(N=CC(Br)=C2)N1 RT7692 [0,1,0,0,0,1|2,0,0]=4 962 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 XJ2654 [0,1,0,0,0,1|1,0,0]=3 963 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 YH54618 [0,1,0,0,0,1|1,0,0]=3 964 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 LT1317 [0,1,0,0,0,1|1,0,0]=3 965 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 RT8644 [0,1,0,0,0,1|1,0,1]=4 966 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 LX2467 [0,1,0,0,0,1|1,0,0]=3 967 B13R2.342 O=C1CCCC2=C1C=CC=C2O RT11785 [0,1,0,0,0,1|1,0,0]=3 968 B13R2.342 O=C1CCOC2=C1C=CC=C2F YH24821 [0,1,0,0,0,1|1,0,0]=3 969 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 YH07394 [0,1,0,0,0,1|1,0,0]=3 970 B13R2.371 O=C1NCC(O)C2=C1C=CC=C2 RT7909 [0,1,0,0,0,1|1,0,0]=3 971 B13R2.1613 C(=O)C1=CN=CC2=CC=CC=C21 YH47964 [0,1,0,0,0,1|1,0,1]=4 972 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 LT0942 [0,1,0,0,0,1|1,0,1]=4 973 B13R2.9 CC1=CC=CC2=C1NC=C2C=O JZ2591 [0,2,0,0,0,0|2,0,0]=4 974 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 JZ4124 [0,2,0,0,0,0|2,0,0]=4 975 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 HL0699 [0,2,0,0,0,0|2,0,0]=4 976 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 YH02056 [0,2,0,0,0,0|2,0,0]=4 977 B13R2.72 O=C(Cl)C1=CSC2=CC=CC=C21 YH59156 [0,2,0,0,0,0|2,0,0]=4 978 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 JZ1093 [0,2,0,0,0,0|2,0,0]=4 979 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 XJ2901 [0,2,0,0,0,0|2,0,0]=4 980 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 LT4082 [0,2,0,0,0,0|2,0,0]=4 981 B13R2.135 CC1CC2=C(C=CC=C2)N1N=O RT2786 [0,2,0,0,0,0|2,0,0]=4 982 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 YH04062 [0,2,0,0,0,0|2,0,0]=4 983 B13R2.662 O=CC1=CNC2=C1C=CC(F)=C2 HL2368 [0,2,0,0,0,0|2,0,0]=4 984 B13R2.662 O=CC1=CNC2=CC(Br)=CC=C12 YH65484 [0,2,0,0,0,0|2,0,0]=4 985 B13R2.662 O=CC1=CNC2=CC(Cl)=CC=C12 YH14821 [0,2,0,0,0,0|2,0,0]=4 986 B13R2.662 O=CC1=NNC2=CC(Br)=CC=C21 YH92396 [0,2,0,0,0,0|2,0,0]=4 987 B13R2.2091 O=CC1=CNC2=CC=CC(Cl)=C12 YH91760 [0,2,0,0,0,0|2,0,0]=4 988 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 LQ2111 [0,2,0,0,0,0|2,0,0]=4 989 B13R2.2136 O=CC1=CNC2=CC=C(Br)C=C12 HL0473 [0,2,0,0,0,0|2,0,0]=4 990 B13R2.2136 O=CC1=CNC2=CC=C(Cl)C=C12 JZ4203 [0,2,0,0,0,0|2,0,0]=4 991 B13R2.2136 O=CC1=NNC2=CC=C(Cl)C=C21 YH21745 [0,2,0,0,0,0|2,0,0]=4 992 B13R2.2931 CN1C=C(C=O)C2=C1C=CC=C2 JZ5273 [0,2,0,0,0,0|2,0,0]=4 993 B13R2.2931 NCC1OC(=O)C2=C1C=CC=C2 RT6239 [0,2,0,0,0,0|0,0,0]=2 994 B13R2.2931 O=CC1=C2C=CC=CC2=C(Cl)N1 CJ3513 [0,2,0,0,0,0|1,0,1]=4 995 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O LX2212 [0,2,0,0,0,0|1,0,0]=3 996 B13R2.3028 CC1CC2=C(C=C(Br)C=C2)C1=O YH40682 [0,2,0,0,0,0|1,0,0]=3 997 B13R2.3028 CC1CC2=C(C=C(Cl)C=C2)C1=O YH66131 [0,2,0,0,0,0|1,0,0]=3 998 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O LQ0209 [0,2,0,0,0,0|2,0,0]=4 999 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O XJ4589 [0,2,0,0,0,0|2,0,0]=4 1000 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O LT7340 [0,2,0,0,0,0|1,0,1]=4 1001 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 YH25224 [0,2,0,0,0,0|2,0,0]=4 1002 B13R2.4825 CC1CC2=C(C=CC=C2Br)C1=O YH40206 [0,2,0,0,0,0|1,0,0]=3 1003 B13R2.4825 CC1CC2=C(C=CC=C2Cl)C1=O YH65760 [0,2,0,0,0,0|1,0,0]=3 1004 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O XJ4588 [0,2,0,0,0,0|2,0,0]=4 1005 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O LT3232 [0,2,0,0,0,0|2,0,0]=4 1006 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O XJ0642 [0,2,0,0,0,0|2,0,0]=4 1007 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O XJ4587 [0,2,0,0,0,0|2,0,0]=4 1008 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O YH11302 [0,2,0,0,0,0|2,0,0]=4 1009 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O LQ0705 [0,2,0,0,0,0|2,0,0]=4 1010 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O YH00452 [0,2,0,0,0,0|1,0,0]=3 1011 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O LQ3084 [0,2,0,0,0,0|2,0,0]=4 1012 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O LQ3101 [0,2,0,0,0,0|2,0,0]=4 1013 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O YH54394 [0,2,0,0,0,0|2,0,0]=4 1014 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 JZ4787 [0,2,0,0,0,0|1,0,0]=3 1015 B13R2.669 CSC1=CC=C2CCC(=O)C2=C1 JZ4837 [0,2,0,0,0,0|1,0,0]=3 1016 B13R2.669 N#CC1=CC2=C(C=C1)COC2=O RT11978 [0,2,0,0,0,0|0,0,0]=2 1017 B13R2.669 N#CC1=CC=C2CCC(=O)C2=C1 LT1098 [0,2,0,0,0,0|1,0,0]=3 1018 B13R2.3790 CC1=C(Br)C=CC2=C1C(=O)NC2 YH66169 [0,2,0,0,0,0|1,0,0]=3 1019 B13R2.5187 O=C1NC(=O)C2=CC(Br)=CC=C12 JZ3063 [0,2,0,0,0,0|1,0,1]=4 1020 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 XJ0647 [0,2,0,0,0,0|0,0,1]=3 1021 B13R2.5187 O=C1OC(=O)C2=CC(O)=CC=C12 LT5970 [0,2,0,0,0,0|0,0,1]=3 1022 B13R2.11634 CC1=C(C)C=C2C(=O)CCC2=C1 CJ2805 [0,2,0,0,0,0|1,0,0]=3 1023 B13R2.11634 O=C1CCC2=CC(Cl)=C(Cl)C=C12 LX3130 [0,2,0,0,0,0|1,0,0]=3 1024 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 LL2361 [0,2,0,0,0,0|1,0,0]=3 1025 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 YH37976 [0,2,0,0,0,0|1,0,0]=3 1026 B13R2.573 COC1=C2CCC(=O)C2=CC=C1 XJ3848 [0,2,0,0,0,0|1,0,0]=3 1027 B13R2.573 N#CC1=C2CCC(=O)C2=CC=C1 YH09757 [0,2,0,0,0,0|1,0,0]=3 1028 B13R2.5151 CC1=CC=C(C)C2=C1CCC2=O LX2148 [0,2,0,0,0,0|1,0,0]=3 1029 B13R2.5151 NC1=CC=C(F)C2=C1CNC2=O LX1051 [0,2,0,0,0,0|1,0,0]=3 1030 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 CJ2540 [0,2,0,0,0,0|1,0,0]=3 1031 B13R2.11642 O=C1NCC2=C1C(F)=CC(Br)=C2 YH98120 [0,2,0,0,0,0|1,0,0]=3 1032 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 LQ2789 [0,2,0,0,0,0|1,0,0]=3 1033 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 CJ2853 [0,2,0,0,0,0|1,0,0]=3 1034 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 LT1322 [0,2,0,0,0,0|0,0,0]=2 1035 B13R2.12159 O=C1CS(=O)(=O)C2=C1C=CC=C2 YH65640 [0,2,0,0,0,0|2,0,0]=4 1036 B13R2.12159 O=C1NS(=O)(=O)C2=CC=CC=C12 RT10372 [0,2,0,0,0,0|2,0,0]=4 1037 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 CJ2941 [0,2,0,0,0,0|1,0,0]=3 1038 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 XJ0132 [0,2,0,0,0,0|1,0,0]=3 1039 B13R2.12159 O=C1[N-]S(=O)(=O)C2=CC=CC=C12 HL4734 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.2 C\C=C\C=C\COC(C)=O LQ1809 [0,0,2,0,0,0|0,0,2]=4 1041 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [0,0,1,0,1,0|2,0,0]=4 1042 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [0,0,1,0,1,0|2,0,0]=4 1043 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [0,0,1,0,1,0|2,0,0]=4 1044 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [0,0,1,0,1,0|2,0,0]=4 1045 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [0,0,1,0,1,0|1,0,0]=3 1046 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [0,0,1,0,1,0|1,0,0]=3 1047 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [0,0,1,0,1,0|2,0,0]=4 1048 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [0,0,1,0,1,0|2,0,0]=4 1049 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [0,0,1,0,1,0|1,1,0]=4 1050 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [0,0,1,0,1,0|2,0,0]=4 1051 B9R1.41 CC(=O)C1=CC=CN1C JZ0998 [0,0,1,0,1,0|2,0,0]=4 1052 B9R1.41 CC1=C(C(=O)Cl)C=CO1 JZ2760 [0,0,1,0,1,0|2,0,0]=4 1053 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [0,0,1,0,1,0|1,0,0]=3 1054 B9R1.41 CC1=C(C(=O)O)C=NO1 LQ5080 [0,0,1,0,1,0|2,0,0]=4 1055 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [0,0,1,0,1,0|2,0,0]=4 1056 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [0,0,1,0,1,0|2,0,0]=4 1057 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [0,0,1,0,1,0|1,0,0]=3 1058 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [0,0,1,0,1,0|1,0,0]=3 1059 B9R1.41 CC1=C(C(=O)O)OC=N1 RT15059 [0,0,1,0,1,0|2,0,0]=4 1060 B9R1.41 CC1=C(C(=O)O)ON=C1 YH50311 [0,0,1,0,1,0|2,0,0]=4 1061 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [0,0,1,0,1,0|1,0,0]=3 1062 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [0,0,1,0,1,0|2,0,0]=4 1063 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [0,0,1,0,1,0|1,0,0]=3 1064 B9R1.41 CC1=CON=C1C(=O)O YH46481 [0,0,1,0,1,0|2,0,0]=4 1065 B9R1.41 CN1C=CN=C1C(=O)O JZ5397 [0,0,1,0,1,0|2,0,0]=4 1066 B9R1.41 CN1C=NC=C1C(=O)O XJ5475 [0,0,1,0,1,0|2,0,0]=4 1067 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [0,0,1,0,1,0|2,0,0]=4 1068 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [0,0,1,0,1,0|2,0,0]=4 1069 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [0,0,1,0,1,0|2,0,0]=4 1070 B9R1.41 O=C(O)C1=C(F)SC=C1 CJ3042 [0,0,1,0,1,0|2,0,0]=4 1071 B9R2.50 C1=CC=C2CCC2=C1 LQ1353 [1,0,0,0,1,0|0,0,1]=3 1072 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,0,1,0,0,1|2,0,0]=4 1073 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [0,0,1,0,0,1|2,0,0]=4 1074 B11R1.86 CC(=O)OC1=CC=CC=C1Br RT11882 [0,0,1,0,0,1|2,0,0]=4 1075 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [0,0,1,0,0,1|0,0,0]=2 1076 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [0,0,1,0,0,1|1,0,0]=3 1077 B11R1.86 NC(=O)NC1=CC=CC=C1F XJ1260 [0,0,1,0,0,1|2,0,0]=4 1078 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 XJ0788 [0,0,1,0,0,1|2,0,0]=4 1079 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl XJ4468 [0,0,1,0,0,1|2,0,0]=4 1080 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,0,1,0,0,1|1,0,0]=3 1081 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [0,0,1,0,0,1|1,0,0]=3 1082 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [0,0,1,0,0,1|1,0,0]=3 1083 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [0,0,1,0,0,1|1,0,0]=3 1084 B11R1.86 O=C(O)CC1=CC=CN=C1Cl YH66545 [0,0,1,0,0,1|2,0,0]=4 1085 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,0,1,0,0,1|1,0,1]=4 1086 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [0,0,0,0,0,2|1,0,0]=3 1087 B13R2.5252 O=C1CCCCC2=CC=CC=C12 JZ4201 [0,0,0,0,0,2|1,0,0]=3 1088 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HL0698 [0,0,0,0,0,2|1,0,0]=3