0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 JZ4501 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.16 CCNC(C)C1=CC=CN=C1 RT2509 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [1,0,0,0,0,0|2,1,0]=4 26 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [1,0,0,0,0,0|2,1,0]=4 31 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 LL0475 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 LL1950 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 RT5176 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.11 COC(=O)\C=C(/N)C1=CC=CC=C1 CJ2965 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 YH02936 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 YH02932 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 YH44118 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 HL3434 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 YH02938 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 HL3435 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 YH36298 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.147 CC1=CC(C(N)CC(=O)O)=CC=C1 YH13658 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 JZ0901 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 YH18332 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 CJ2509 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.147 O=C(O)CC(O)C1=CC=CC(O)=C1 RT12024 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 LX2407 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O RT5148 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O RT5153 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O RT5159 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O HL4516 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O HL4547 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F LL1946 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br JZ0900 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F CJ2250 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F JZ1256 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 RT3229 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 YH23937 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.10 CC1=NN=C(C2=CC=CC=C2)O1 XJ2575 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.10 NC1=N[C@H](C2=CC=CC=C2)CO1 RT4321 [0,0,0,1,0,0|2,0,1]=4 70 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 YH65797 [0,0,0,1,0,0|1,0,1]=3 71 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 YH27765 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.10 O=C1CC(C2=CC=CN=C2)CN1 RT10191 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 HL0603 [0,0,0,1,0,0|0,0,0]=1 74 B13R2.10 O=C1CCC(C2=CC=CN=C2)N1 RT16632 [0,0,0,1,0,0|2,0,0]=3 75 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 RT9150 [0,0,0,1,0,0|2,0,0]=3 76 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY0295 [0,0,0,1,0,0|2,0,0]=3 77 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 RT7870 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 YH42187 [0,0,0,1,0,0|2,1,0]=4 79 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 JZ3930 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [0,0,0,1,0,0|2,0,1]=4 81 B13R2.423 O=C(O)[C@H]1O[C@@H]1C2=CC=CC=C2 RT15458 [0,0,0,1,0,0|3,0,0]=4 82 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 LL0879 [0,0,0,0,1,0|1,0,2]=4 83 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,0,0,0,1,0|1,0,1]=3 84 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [0,0,0,0,1,0|0,0,0]=1 85 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [0,0,0,0,1,0|1,0,0]=2 86 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [0,0,0,0,1,0|1,0,0]=2 87 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,0,0,0,1,0|2,0,1]=4 88 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 LQ2649 [0,0,0,0,1,0|2,0,0]=3 90 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [0,0,0,0,1,0|2,0,1]=4 91 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 JZ0158 [0,0,0,0,1,0|2,0,0]=3 93 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 LT4728 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 YH52440 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 LT6908 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,0,0,0,1,0|2,0,1]=4 97 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 XJ2766 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 YH66089 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [0,0,0,0,1,0|2,0,0]=3 100 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [0,0,0,0,1,0|2,0,0]=3 102 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [0,0,0,0,1,0|2,0,0]=3 103 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [0,0,0,0,1,0|2,0,0]=3 104 B11R1.36 O=[PH]([O-])C(O)C1=CC=CC=C1 RT12947 [0,0,0,0,1,0|3,0,0]=4 105 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [0,0,0,0,1,0|1,0,0]=2 106 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [0,0,0,0,0,1|2,0,1]=4 107 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [0,0,0,0,0,1|1,0,1]=3 108 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 RT17386 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [2,0,0,0,0,0|0,0,0]=2 111 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [2,0,0,0,0,0|0,0,1]=3 113 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [2,0,0,0,0,0|0,0,0]=2 117 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [2,0,0,0,0,0|1,0,1]=4 123 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 JZ0142 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 YH10507 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 JZ3727 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HL2281 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.27 COC(=O)CCC1=CC=CN=C1 XJ6488 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.27 COC(=O)OCC1=CC=CC=C1 RT11038 [1,1,0,0,0,0|0,0,0]=2 135 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [1,1,0,0,0,0|0,0,0]=2 136 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.27 O=C(C#CC1=CC=CC=C1)CCl RT12399 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 YH49901 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 XJ0546 [1,1,0,0,0,0|0,0,0]=2 140 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.43 NC(CC1=CC=CC=C1)C(=O)[O-] YH66172 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.226 CC(=O)\C=C\C1=CC=CC(O)=C1 RT12436 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 HL0979 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 JZ3977 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 CJ2730 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 RT12102 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 LQ3474 [0,1,0,0,1,0|1,0,1]=4 163 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 LQ0515 [0,1,0,0,1,0|1,0,0]=3 164 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 JZ4316 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 JZ4317 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 LX2120 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 LQ4697 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 LQ3229 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 JZ0195 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 YH13184 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 RT5099 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 YH15246 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 JZ3059 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 LL0881 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 HL1770 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 JZ4498 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 RT11186 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 YH54312 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(O)C=C1 YH54440 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.124 CC(=O)C(Br)C1=CC=CC=C1F RT10535 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 JZ1546 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 LT3674 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 LQ3409 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.225 CC(=O)C(=O)C1=CC=CC(Cl)=C1 RT11574 [0,1,0,0,1,0|1,0,1]=4 185 B12R1.225 CC(=O)C(O)C1=CC=CC(Cl)=C1 RT11240 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C RT3091 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C YH65470 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 YH16021 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 HL1768 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.225 O=C(O)C(O)C1=CC=CC(O)=C1 RT6094 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 JZ4199 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 YH66305 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 YH50860 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 XJ2725 [0,1,0,0,1,0|0,0,1]=3 195 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 RT1838 [0,1,0,0,1,0|1,0,1]=4 196 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 JZ0156 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 XJ0168 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 HL0018 [0,1,0,0,1,0|1,0,0]=3 199 B14R1.160 CC(=O)ONC(=O)C1=CC=CC=C1O RT10678 [0,1,0,0,0,1|1,0,1]=4 200 B14R1.160 CC(=O)O\N=C(/C)C1=CC=CC=C1O RT6304 [0,1,0,0,0,1|0,0,1]=3 201 B14R1.160 NC(=O)OCC(O)C1=CC=CC=C1Cl RT1850 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.160 NC(=O)OC[C@H](O)C1=CC=CC=C1Cl RT1849 [0,1,0,0,0,1|2,0,0]=4 203 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 YH65148 [0,1,0,0,0,1|2,0,0]=4 204 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 LQ0615 [0,1,0,0,0,1|0,0,0]=2 205 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 YH65673 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 RT11872 [0,2,0,0,0,0|1,0,1]=4 207 B14R1.741 CC(C)(OC(=O)CBr)C1=CC=CC=C1 RT10744 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.694 CC(=O)OS(=O)(=O)C1=CC=C(C)C=C1 JZ5727 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 RT3607 [0,2,0,0,0,0|2,0,0]=4 210 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 HL4529 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.1020 CC(=O)OC(C#N)C1=CC=CC(O)=C1 RT6433 [0,2,0,0,0,0|0,0,1]=3 212 B14R1.6455 CC(=O)OC(C(=O)O)C1=CC=CC=C1 LQ2861 [0,2,0,0,0,0|0,0,1]=3 213 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [1,0,0,1,0,0|0,0,1]=3 215 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [1,0,0,1,0,0|1,0,1]=4 219 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.2 C1=CN=CC(C2CCC=N2)=C1 RT14595 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.116 CC1(C2=CC=CC=C2)CNC1 RT9865 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [1,0,0,1,0,0|1,0,1]=4 224 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [1,0,0,1,0,0|1,0,0]=3 225 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [1,0,0,1,0,0|1,0,1]=4 226 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [1,0,0,1,0,0|1,0,1]=4 227 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [1,0,0,1,0,0|1,0,0]=3 229 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [0,0,0,1,1,0|1,0,0]=3 234 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 RT9295 [0,0,0,1,1,0|1,1,0]=4 235 B12R2.18 CC1C(=O)NC2=C1C=CC=N2 RT15552 [0,0,0,1,1,0|2,0,0]=4 236 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [0,0,0,1,1,0|1,0,0]=3 237 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,0,0,1,1,0|1,0,0]=3 238 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 XJ2777 [0,0,0,1,0,1|1,0,0]=3 239 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 HL0442 [0,0,0,1,0,1|2,0,0]=4 240 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 LT1447 [0,0,0,1,0,1|2,0,0]=4 241 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 RT6827 [0,0,0,1,0,1|2,0,0]=4 242 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 YH46889 [0,0,0,1,0,1|2,0,0]=4 243 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 RT6803 [0,0,0,1,0,1|2,0,0]=4 244 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CS1 YH66520 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 YH38139 [0,0,0,1,0,1|2,0,0]=4 246 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 RT9666 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 YH35521 [0,1,0,1,0,0|1,0,0]=3 248 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O XJ2218 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.260 O=C1N[C@H](C2=CC=CN=C2)C[C@H]1O RT17352 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 CJ3281 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 YH47580 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 LX2161 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 YH66636 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.22 O=C1CCC(C2=C[N+]([O-])=CC=C2)N1 RT9383 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 RT14837 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.4514 CN1C(=O)CCC1C2=NC=CC=C2 RT14836 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.4514 CN1C(=O)CCC1C2=NC=CC=C2 RT15142 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 RT14838 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 RT14835 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 XJ1058 [0,1,0,1,0,0|0,0,2]=4 261 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 YH65777 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,0,0,0,1,0|0,0,0]=2 263 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [1,0,0,0,1,0|1,0,0]=3 264 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [1,0,0,0,1,0|2,0,0]=4 265 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [1,0,0,0,1,0|1,0,0]=3 266 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [1,0,0,0,1,0|1,1,0]=4 267 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,0,0,0,1,0|2,0,0]=4 268 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,0,0,0,1,0|1,0,0]=3 269 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,0,0,0,1,0|1,0,1]=4 270 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,0,0,0,1,0|0,0,2]=4 271 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [1,0,0,0,1,0|1,0,0]=3 272 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [1,0,0,0,1,0|2,0,0]=4 273 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [1,0,0,0,1,0|2,0,0]=4 274 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [1,0,0,0,1,0|1,0,0]=3 275 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [1,0,0,0,1,0|1,1,0]=4 276 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [1,0,0,0,1,0|1,0,0]=3 277 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [1,0,0,0,1,0|1,0,0]=3 278 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,0,0,0,1,0|1,0,0]=3 279 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [1,0,0,0,1,0|2,0,0]=4 280 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [1,0,0,0,1,0|2,0,0]=4 281 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [1,0,0,0,1,0|2,0,0]=4 282 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [1,0,0,0,1,0|2,0,0]=4 283 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [1,0,0,0,1,0|2,0,0]=4 284 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [1,0,0,0,1,0|2,0,0]=4 285 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [1,0,0,0,1,0|1,1,0]=4 286 B10R1.66 CC(=O)OCC1=CC=CO1 LT5083 [1,0,0,0,1,0|1,0,0]=3 287 B10R1.66 CC(=O)SCC1=CC=CO1 LT5373 [1,0,0,0,1,0|1,1,0]=4 288 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [1,0,0,0,0,1|0,0,0]=2 289 B12R1.252 CC(=O)SCCC1=NC=CC=C1 RT10486 [1,0,0,0,0,1|1,1,0]=4 290 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [1,0,0,0,0,1|0,0,2]=4 291 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [1,0,0,0,0,1|0,0,2]=4 292 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [1,0,0,0,0,1|2,0,0]=4 293 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [1,0,0,0,0,1|2,0,0]=4 294 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [1,0,0,0,0,1|2,0,0]=4 295 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [1,0,0,0,0,1|1,0,0]=3 296 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 LQ3403 [0,0,0,0,0,2|0,0,0]=2