0 B8R1.1 C=CC1=NC(C)=CS1 LT1724 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC1=NC(C#N)=CS1 JZ5460 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.1 CCC1=CN=C(N)S1 YH58784 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.1 CCC1=NC(Br)=CN1 YH65474 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CCC1=NC(C)=CN1 YH96350 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 CCN1C=C[N+](C)=C1 LL2794 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CCN1C=C[N+](C)=C1 YH34555 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CN1C=CC(CO)=N1 YH88989 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 COC1=CN=C(C)S1 LT1946 [0,0,0,0,0,0|1,2,0]=3 13 B8R1.1 ClCC1=CC=C(Cl)S1 XJ4740 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.1 N#CC1=CC=C(Br)S1 YH46505 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.1 O=C1C=C[C@H](CO)O1 LL1404 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 O=CC1=CC=C(Br)O1 RT15017 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.1 O=CC1=CC=C(I)O1 XJ2246 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 CCC1=CC=CS1 XJ1420 [1,0,0,0,0,0|1,1,0]=3 19 B7R1.1 CCC1=NC=CN1 LT6532 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 COC1=CC=CO1 XJ4809 [1,0,0,0,0,0|0,1,0]=2 21 B7R1.1 COC1=NC=CS1 JZ1049 [1,0,0,0,0,0|1,2,0]=4 22 B7R1.1 CSC1=NC=CS1 JZ0965 [1,0,0,0,0,0|1,1,0]=3 23 B7R1.1 ClCC1=CC=CS1 LT1710 [1,0,0,0,0,0|2,1,0]=4 24 B7R1.1 ClCC1=NC=CO1 YH65723 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 N#CC1=CC=CS1 HL0573 [1,0,0,0,0,0|2,1,0]=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|2,1,0]=4 28 B7R1.1 NCC1=NC=CO1 YH92552 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 O=CC1=CC=CN1 HL3957 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 O=CC1=CC=CN1 RT5965 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 O=CC1=CC=CS1 LT6658 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.1 OCC1=CC=CN1 RT14126 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1=CC=CO1 XJ0217 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 SCC1=CC=CO1 LL2412 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.2 BrC1=CC=C(Br)S1 LT0144 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.2 CC1=CC(C)=NN1 YH13269 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=CC(C)=NO1 LL0658 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.2 CC1=CC=C(C)N1 XJ1201 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.2 CC1=CC=C(C)O1 JZ0985 [1,0,0,0,0,0|0,0,0]=1 40 B7R1.2 CC1=CC=C(C)S1 LT0161 [1,0,0,0,0,0|0,1,0]=2 41 B7R1.2 CC1=CCC(=O)O1 HL0093 [1,0,0,0,0,0|0,1,1]=3 42 B7R1.2 CC1=CN=C(Br)S1 XJ5466 [1,0,0,0,0,0|2,1,0]=4 43 B7R1.2 CC1=CN=C(Cl)S1 YH55067 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.2 CC1=CN=C(N)O1 YH54873 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 CC1=CN=C(N)S1 LT5981 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.2 CC1=CNC(C)=C1 XJ1200 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.2 CC1=CNC(C)=N1 LQ1550 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.2 CC1=COC(N)=N1 LQ4845 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.2 CC1=CSC(Br)=N1 LQ3204 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 CC1=CSC(C)=N1 JZ0982 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.2 CC1=CSC(N)=N1 YH56147 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 CC1=NC(I)=CN1 LL1307 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.2 CC1=NNC(=O)O1 YH53438 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.2 CN1C=CC(N)=N1 YH42950 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.2 CN1C=C[N+](C)=C1 LX2917 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 ClC1=CC=C(Br)S1 LQ2313 [1,0,0,0,0,0|2,1,0]=4 57 B7R1.2 O=C1C=CC(=O)N1 LT7482 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.2 O=C1C=CC(=O)O1 LQ0391 [1,0,0,0,0,0|1,1,0]=3 59 B7R1.2 O=C1C=CC(=O)O1 LT3790 [1,0,0,0,0,0|1,1,0]=3 60 B9R1.7 CCOC1C=CC(=O)O1 YH51815 [0,1,0,0,0,0|1,1,1]=4 61 B9R1.21 COC1=NC=C(CCl)S1 RT15726 [0,1,0,0,0,0|1,2,0]=4 62 B9R1.21 CSC1=CC=C(C=O)S1 YH49028 [0,1,0,0,0,0|0,1,1]=3 63 B9R1.21 NCC1=CC=C(CN)O1 RT14119 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.21 O=CC1=CC=C(C=O)O1 RT17919 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.21 O=CC1=CC=C(CO)O1 JZ1173 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.22 CC1=CC(C)=C(C=O)N1 JZ1935 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.22 CC1=CC(C)=C(C=O)S1 LT0662 [0,1,0,0,0,0|2,1,0]=4 68 B9R1.22 CCN1N=C(C)C=C1C LQ4043 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.23 CCC1=NC(C)=C(C)S1 JZ1027 [0,1,0,0,0,0|2,1,0]=4 70 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [0,1,0,0,0,0|2,1,0]=4 72 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [0,1,0,0,0,0|2,1,0]=4 74 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [0,1,0,0,0,0|2,1,0]=4 76 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,1,0,0,0,0|2,1,0]=4 77 B9R1.35 CC1=CN=C(C(=O)O)O1 YH02221 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.3 CO\C=C\C(=O)OC HL3008 [0,0,1,0,0,0|1,1,1]=4 79 B7R0.4 CCC\C=C\C(=O)O JZ4447 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.4 CCC\C=C\C(C)=O XJ1585 [0,0,1,0,0,0|1,0,2]=4 81 B7R0.4 COC\C=C\C(=O)O RT17693 [0,0,1,0,0,0|1,1,1]=4 82 B7R0.4 C\C=C\C=C\C(=O)[O-] LQ4414 [0,0,1,0,0,0|2,0,1]=4 83 B9R1.1 C#CC1=CC=C(C)C=C1 HL0383 [0,0,0,0,0,1|2,0,1]=4 84 B9R1.1 C=CC1=CC=C(C)C=C1 XJ1131 [0,0,0,0,0,1|2,0,1]=4 85 B9R1.1 C=CC1=CN=C(C)C=C1 XJ0560 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.1 C=CC1=NC=C(C)C=C1 YH58615 [0,0,0,0,0,1|2,0,1]=4 87 B9R1.1 CC1=CC=C(C#N)C=C1 XJ0295 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.1 CC1=CC=C(C=O)C=C1 XJ0296 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.1 CC1=CC=C(C=O)C=N1 YH05496 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.1 CC1=CC=C(CBr)C=C1 XJ0291 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.1 CC1=CC=C(CN)C=C1 XJ0294 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.1 CC1=CC=C(CN)C=N1 RT4381 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.1 CC1=CC=C(CO)C=C1 HL0057 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.1 CC1=CC=C(NN)C=C1 JZ4047 [0,0,0,0,0,1|3,0,0]=4 95 B9R1.1 CC1=CC=C(NN)C=C1 XJ0909 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.1 CC1=CN=C(C#N)C=C1 XJ1868 [0,0,0,0,0,1|3,0,0]=4 97 B9R1.1 CC1=CN=C(C=O)C=C1 HL2821 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.1 CC1=NC=C(C#N)C=C1 JZ2269 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.1 CC1=NC=C(CCl)C=C1 RT12579 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.1 CC1=NC=C(NN)C=C1 YH93974 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.1 CCC1=CC=C(Br)C=C1 LT0068 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.1 CCC1=CC=C(Cl)C=C1 XJ1132 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.1 CCC1=CC=C(I)C=C1 JZ5676 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.1 CCC1=CN=C(C)C=C1 YH20573 [0,0,0,0,0,1|2,0,0]=3 106 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.1 CNC1=CC=C(N)C=C1 LT5160 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.1 CNC1=CC=C(O)C=C1 LT7433 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.1 CNC1=NC=C(Cl)C=C1 RT2598 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.1 COC1=CC=C(Br)C=C1 YH22845 [0,0,0,0,0,1|2,1,0]=4 111 B9R1.1 COC1=CC=C(Br)C=N1 LT3369 [0,0,0,0,0,1|2,1,0]=4 112 B9R1.1 COC1=CC=C(C)N=C1 LX2638 [0,0,0,0,0,1|1,1,0]=3 113 B9R1.1 COC1=CC=C(F)C=C1 RT11598 [0,0,0,0,0,1|2,1,0]=4 114 B9R1.1 COC1=CC=C(F)C=N1 YH04458 [0,0,0,0,0,1|2,1,0]=4 115 B9R1.1 COC1=CC=C(N)C=C1 YH22851 [0,0,0,0,0,1|2,1,0]=4 116 B9R1.1 COC1=CC=C(N)C=N1 LT3597 [0,0,0,0,0,1|2,1,0]=4 117 B9R1.1 COC1=CC=C(N)N=C1 XJ3542 [0,0,0,0,0,1|2,1,0]=4 118 B9R1.1 COC1=CC=C(O)C=C1 LQ0608 [0,0,0,0,0,1|2,1,0]=4 119 B9R1.1 COC1=CN=C(Cl)C=C1 HL3515 [0,0,0,0,0,1|2,1,0]=4 120 B9R1.1 COC1=NC=C(C)N=C1 LT2163 [0,0,0,0,0,1|2,1,0]=4 121 B9R1.1 COC1=NC=C(I)C=C1 YH32542 [0,0,0,0,0,1|2,1,0]=4 122 B9R1.1 COC1=NC=C(O)C=C1 YH04854 [0,0,0,0,0,1|2,1,0]=4 123 B9R1.1 CSC1=CC=C(C)C=C1 XJ1135 [0,0,0,0,0,1|1,0,0]=2 124 B9R1.1 CSC1=CC=C(F)C=C1 XJ0702 [0,0,0,0,0,1|2,0,0]=3 125 B9R1.1 CSC1=CN=C(N)C=C1 RT4644 [0,0,0,0,0,1|2,0,0]=3 126 B9R1.1 CSC1=NC=C(Br)N=C1 YH22840 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.1 CSC1=NC=C(C)N=C1 LT2312 [0,0,0,0,0,1|2,0,0]=3 128 B9R1.2 C#CC1=CC(C)=CC=C1 XJ1365 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.2 C=CC1=CC=CC(C)=C1 LQ4468 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.2 C=CC1=CC=CC(C)=N1 CJ2757 [0,0,0,0,0,1|2,0,1]=4 131 B9R1.2 CC1=CC(C#N)=CC=C1 LT7492 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.2 CC1=CC(CCl)=NC=C1 YH58257 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.2 CC1=CC(CN)=CC=C1 LQ0295 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.2 CC1=CC(CO)=NC=C1 YH01119 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.2 CC1=CC(NN)=CC=C1 LL0975 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.2 CC1=CC=CC(C#N)=N1 XJ1866 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.2 CC1=CC=CC(C=O)=N1 HL0653 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.2 CC1=CC=CC(CO)=N1 HL0652 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.2 CC1=NC(C=O)=CC=N1 HL0584 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.2 CC1=NC(CO)=CC=N1 YH65643 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.2 CC1=NC=CC(CCl)=C1 RT9279 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.2 CC1=NC=CC(CN)=C1 RT9263 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [0,0,0,0,0,1|2,0,0]=3 145 B9R1.2 CCC1=CC(Cl)=NC=C1 LT3331 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.2 CCC1=CC=CC(Br)=C1 XJ2282 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.2 CCC1=CC=CC(N)=C1 XJ1048 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.2 CCC1=CC=NC(Br)=C1 LT3312 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.2 CCC1=CC=NC(N)=C1 LT3293 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.2 CNC1=CC=CC(C)=C1 LQ1364 [0,0,0,0,0,1|2,0,0]=3 152 B9R1.2 COC1=CC(Br)=CC=C1 JZ1081 [0,0,0,0,0,1|2,1,0]=4 153 B9R1.2 COC1=CC(Br)=CN=C1 LT3954 [0,0,0,0,0,1|2,1,0]=4 154 B9R1.2 COC1=CC(N)=CC=C1 RT2821 [0,0,0,0,0,1|2,1,0]=4 155 B9R1.2 COC1=CC(N)=NC=C1 XJ3562 [0,0,0,0,0,1|2,1,0]=4 156 B9R1.2 COC1=CC=CC(Br)=N1 LQ5038 [0,0,0,0,0,1|2,1,0]=4 157 B9R1.2 COC1=CC=CC(N)=N1 YH41174 [0,0,0,0,0,1|2,1,0]=4 158 B9R1.2 COC1=CC=CC(O)=C1 LQ0600 [0,0,0,0,0,1|2,1,0]=4 159 B9R1.2 COC1=CC=CC(O)=N1 YH47507 [0,0,0,0,0,1|2,1,0]=4 160 B9R1.2 COC1=CC=NC(Cl)=C1 XJ4369 [0,0,0,0,0,1|2,1,0]=4 161 B9R1.2 COC1=CN=CC(I)=C1 LT3416 [0,0,0,0,0,1|2,1,0]=4 162 B9R1.2 COC1=CN=CC(N)=C1 LL1064 [0,0,0,0,0,1|2,1,0]=4 163 B9R1.2 COC1=NC(C)=CC=C1 LT1773 [0,0,0,0,0,1|1,1,0]=3 164 B9R1.2 COC1=NC(C)=CN=C1 LT2164 [0,0,0,0,0,1|1,1,0]=3 165 B9R1.2 COC1=NC(N)=NC=C1 LQ0640 [0,0,0,0,0,1|2,1,0]=4 166 B9R1.2 COC1=NC=CC(Br)=C1 XJ6753 [0,0,0,0,0,1|2,1,0]=4 167 B9R1.2 COC1=NC=CC(F)=C1 HL4973 [0,0,0,0,0,1|2,1,0]=4 168 B9R1.2 COC1=NC=CC(I)=C1 YH98675 [0,0,0,0,0,1|2,1,0]=4 169 B9R1.2 COC1=NC=CC(N)=C1 LQ4219 [0,0,0,0,0,1|2,1,0]=4 170 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ2763 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ4867 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.2 CSC1=CC(I)=CC=C1 YH31373 [0,0,0,0,0,1|2,0,0]=3 173 B9R1.2 CSC1=CC=CC(F)=C1 XJ1274 [0,0,0,0,0,1|2,0,0]=3 174 B9R1.2 CSC1=CC=CC(N)=C1 LT2494 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.2 CSC1=CC=NC(Cl)=N1 YH03519 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.2 CSC1=NC(C)=CN=C1 LT2313 [0,0,0,0,0,1|1,0,0]=2 177 B9R1.2 CSC1=NC(Cl)=CC=N1 YH03518 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.2 CSC1=NC=CC(=O)N1 XJ2986 [0,0,0,0,0,1|2,0,0]=3 179 B6R0.1 C=CC(=O)OCC XJ0563 [1,0,1,0,0,0|0,1,1]=4 180 B6R0.1 C=COC(=O)CC XJ0313 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.1 CC\C=C(/C)C=O XJ1141 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.1 C\C=C\C(=O)OC LQ4078 [1,0,1,0,0,0|0,1,1]=4 183 B6R0.1 C\C=C\C(C)=C\C LQ4645 [1,0,1,0,0,0|1,0,1]=4 184 B6R0.4 C=C\C=C\C(=O)O RT1128 [1,0,1,0,0,0|0,1,1]=4 185 B6R0.4 CO\C=C\C(C)=O LQ2718 [1,0,1,0,0,0|0,1,1]=4 186 B6R1.2 BrC1=CC=CO1 XJ1019 [2,0,0,0,0,0|1,0,0]=3 187 B6R1.2 BrC1=CC=CS1 LT0578 [2,0,0,0,0,0|1,1,0]=4 188 B6R1.2 BrC1=NC=CO1 RT14562 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 CC1=CC=CC1 LQ4531 [2,0,0,0,0,0|1,0,0]=3 190 B6R1.2 CC1=CC=CO1 RT14148 [2,0,0,0,0,0|0,0,0]=2 191 B6R1.2 CC1=CC=CS1 HL0035 [2,0,0,0,0,0|0,1,0]=3 192 B6R1.2 CC1=CC=NO1 XJ2996 [2,0,0,0,0,0|1,0,0]=3 193 B6R1.2 CC1=CN=CS1 JZ2359 [2,0,0,0,0,0|1,1,0]=4 194 B6R1.2 CC1=CNC=C1 YH10214 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 CC1=CNC=N1 RT8712 [2,0,0,0,0,0|2,0,0]=4 196 B6R1.2 CC1=COC=C1 LQ1543 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 CC1=CSC=C1 LT0736 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 CC1=CSC=C1 LT6829 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 CC1=CSC=N1 JZ1146 [2,0,0,0,0,0|2,0,0]=4 200 B6R1.2 CC1=NC=CN1 RT6736 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 CC1=NC=CS1 LT1779 [2,0,0,0,0,0|1,1,0]=4 202 B6R1.2 CN1C=CC=N1 LQ1547 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 ClC1=CC=CS1 LL0241 [2,0,0,0,0,0|1,1,0]=4 204 B6R1.2 FC1=CC=CS1 YH59293 [2,0,0,0,0,0|1,1,0]=4 205 B6R1.2 IC1=CC=CS1 LQ2449 [2,0,0,0,0,0|1,1,0]=4 206 B6R1.2 NC1=CC=CS1 LQ1192 [2,0,0,0,0,0|1,1,0]=4 207 B6R1.2 O=C1C=CCO1 XJ0818 [2,0,0,0,0,0|0,1,1]=4 208 B6R1.2 O=C1OC=CO1 XJ1417 [2,0,0,0,0,0|1,1,0]=4 209 B6R1.2 SC1=CC=CS1 JZ3241 [2,0,0,0,0,0|0,1,0]=3 210 B6R1.2 SC1=NC=CN1 XJ1416 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 [Mo+4]C1=CC=CC1 XJ5999 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 [Ti+3]C1=CC=CC1 XJ1684 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 [TlH2]C1=CC=CC1 XJ5195 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 [Zr+3]C1=CC=CC1 XJ5181 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,1,0,0,0,0|1,1,0]=4 216 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.7 CC(N)C1=CN=CO1 RT14536 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.7 OB(O)C1=CC=CO1 XJ3842 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.8 CNCC1=CC=NO1 YH59432 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.8 CSCC1=CC=CO1 LT5048 [1,1,0,0,0,0|0,0,0]=2 225 B8R1.8 OCCC1=CC=CS1 LT0210 [1,1,0,0,0,0|1,1,0]=4 226 B8R1.11 CSC1=C(C)OC=C1 XJ6013 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.11 CSC1=NC=CN1C RT14347 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.18 CC1=C(C)OC(=O)O1 RT14592 [1,1,0,0,0,0|1,1,0]=4 229 B8R1.18 CC1=NC(C)=C(N)S1 RT12095 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.18 CC1=NN(C)C(Cl)=C1 RT14543 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.18 CC1=NN(C)C=C1N RT4440 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.50 CC1=CC=C(C)N1C LQ1553 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.3 CCC1=CC=C(CC)C=C1 XJ0304 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.3 CNC1=CC=C(NC)C=C1 RT3267 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.3 CNC1=CC=C(OC)C=C1 LQ2977 [0,1,0,0,0,1|1,1,0]=4 239 B10R1.3 COC1=CC=C(CCl)C=C1 JZ4193 [0,1,0,0,0,1|1,1,0]=4 240 B10R1.3 COC1=CC=C(CN)C=C1 LT3064 [0,1,0,0,0,1|1,1,0]=4 241 B10R1.3 COC1=CC=C(CS)C=C1 LX2163 [0,1,0,0,0,1|1,1,0]=4 242 B10R1.3 COC1=CC=C(OC)C=C1 LT7890 [0,1,0,0,0,1|1,1,0]=4 243 B10R1.3 COC1=CC=C(SC)C=C1 LQ1964 [0,1,0,0,0,1|1,0,0]=3 244 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.13 CC1=CC=C(C(C)O)C=N1 RT2394 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.25 CNC1=CC=C(C)C=C1C RT10900 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.25 COC1=CC=C(C)C=C1F LQ0748 [0,1,0,0,0,1|1,1,0]=4 252 B10R1.25 COC1=CC=C(C)C=C1O JZ4479 [0,1,0,0,0,1|1,1,0]=4 253 B10R1.176 CNC1=CC=C(C)C(C)=C1 RT10968 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.176 COC1=CC(Cl)=C(C)C=C1 XJ5702 [0,1,0,0,0,1|1,1,0]=4 255 B10R1.176 COC1=CC(F)=C(C)C=C1 LQ0806 [0,1,0,0,0,1|1,1,0]=4 256 B10R1.176 CSC1=CC(Cl)=C(Cl)C=C1 LT2372 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.2 COC1=C(N)C(C)=CC=C1 YH04227 [0,1,0,0,0,1|1,1,0]=4 258 B10R1.2 CSC1=CC=CC(Cl)=C1C YH88406 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.8 COC1=CC(N)=CC(C)=C1 RT11100 [0,1,0,0,0,1|1,1,0]=4 260 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 LX2805 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.8 CSC1=NC(C)=CC(C)=N1 LQ3724 [0,1,0,0,0,1|1,0,0]=3 262 B10R1.8 CSC1=NC(Cl)=CC(C)=N1 XJ4333 [0,1,0,0,0,1|1,0,0]=3 263 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 LT2704 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.10 CCOC1=NC(C)=CN=C1 LT2162 [0,1,0,0,0,1|1,1,0]=4 266 B10R1.30 CCC1=NC(C)=CC=C1O RT9719 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.30 COC1=NC(C)=CC=C1F CJ2127 [0,1,0,0,0,1|1,1,0]=4 268 B10R1.30 COC1=NC(C)=CC=C1N YH42396 [0,1,0,0,0,1|1,1,0]=4 269 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.172 CCC1=CC=CC(CC)=C1 JZ5691 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.172 COC1=CC=CC(CBr)=C1 HL0466 [0,1,0,0,0,1|1,1,0]=4 274 B10R1.172 COC1=CC=CC(CN)=C1 HL2884 [0,1,0,0,0,1|1,1,0]=4 275 B10R1.172 COC1=CC=CC(CO)=C1 LT2556 [0,1,0,0,0,1|1,1,0]=4 276 B10R1.172 COC1=CC=CC(OC)=N1 LT0197 [0,1,0,0,0,1|1,1,0]=4 277 B10R1.172 COC1=CC=NC(OC)=N1 JZ2329 [0,1,0,0,0,1|1,1,0]=4 278 B10R1.172 COC1=CN=CC(OC)=N1 JZ2592 [0,1,0,0,0,1|1,1,0]=4 279 B10R1.96 CNCC1=CC=C(CO)O1 RT3539 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.31 CCC1=CC=C(C(C)=O)O1 YH48755 [0,2,0,0,0,0|1,0,0]=3 281 B10R1.34 CCC1=C(O)C(=O)C(C)O1 LT3396 [0,2,0,0,0,0|1,0,1]=4 282 B10R1.34 CCC1OC(C)=C(O)C1=O LT3356 [0,2,0,0,0,0|1,0,1]=4 283 B8R1.2 COC1=CC=CCC1 JZ1877 [0,0,1,1,0,0|1,1,0]=4 284 B8R1.2 CSC1=NC=CC=C1 LT2167 [0,0,1,1,0,0|1,0,1]=4 285 B8R1.3 CC1=CC=C(C)N=C1 JZ0986 [0,0,1,1,0,0|2,0,0]=4 286 B8R1.3 CC1=CC=C(O)C=N1 HL0641 [0,0,1,1,0,0|2,0,0]=4 287 B8R1.3 CC1=CN=C(O)C=C1 LT3568 [0,0,1,1,0,0|1,0,1]=4 288 B8R1.3 CC1=NC=C(O)C=C1 YH65665 [0,0,1,1,0,0|2,0,0]=4 289 B8R1.5 CC1=NC=CC=C1O LT5849 [0,0,1,1,0,0|2,0,0]=4 290 B6R0.3 C=C(C)C(=O)OC XJ0124 [0,0,1,0,1,0|1,1,0]=4